83
Frame 1
C -3.5802 0.0228 -2.0850
C -2.1439 -0.3111 -1.6167
N -1.1930 0.8047 -1.8417
C -1.6898 2.0799 -1.2641
C -3.0978 2.4661 -1.7490
C -4.0826 1.3263 -1.4385
H -2.1748 -0.4577 -0.5449
H -3.6129 0.1348 -3.1618
H -4.2333 -0.8037 -1.8209
H -1.7104 1.9622 -0.1890
H -0.9690 2.8505 -1.4886
H -3.4025 3.3805 -1.2504
H -3.0926 2.6624 -2.8158
H -4.1507 1.1948 -0.3624
H -5.0758 1.5664 -1.8028
C -0.7136 0.9621 -3.2342
H 0.0907 1.6827 -3.2119
H -1.4971 1.3630 -3.8753
C -1.6249 -1.6081 -2.2627
C -0.2390 -0.3582 -3.8661
C -1.3589 -1.3990 -3.7583
H -2.2488 -1.0639 -4.2759
H -1.0478 -2.3334 -4.2153
H -0.0268 -0.1536 -4.9117
C -0.3438 -2.1462 -1.6011
H -0.1615 -3.1466 -2.0005
H -0.4806 -2.2268 -0.5329
N 0.8581 -1.3016 -1.8282
C 1.0433 -0.9555 -3.2627
H 1.2382 -1.8804 -3.8154
C 2.0535 -2.0115 -1.3007
H 2.1748 -2.9616 -1.8253
H 1.8704 -2.2255 -0.2561
C 2.2715 -0.0527 -3.4279
H 2.1355 0.8493 -2.8482
H 2.3750 0.2127 -4.4758
C 3.3247 -1.1702 -1.4592
H 3.2247 -0.2684 -0.8736
H 4.1732 -1.7367 -1.0878
C 3.5324 -0.7778 -2.9297
H 4.3979 -0.1321 -3.0241
H 3.7100 -1.6654 -3.5315
H -2.3907 -2.3665 -2.1240
Li 0.5214 0.4508 -0.6112
C 1.7111 2.3162 -0.4245
H 1.2777 2.8494 -1.2882
C 3.2486 2.5403 -0.5520
H 3.5358 3.5969 -0.5124
H 1.6080 2.6509 1.7497
H 1.5673 4.1520 0.8486
H 0.1469 3.1184 0.9124
O -0.1082 -0.3540 1.1614
C 0.1948 -0.3840 2.3646
O -0.7047 -0.5206 3.3571
C -2.1610 -0.6625 3.2067
C -2.6209 -0.8315 4.6546
H -2.3303 0.0342 5.2351
H -3.6979 -0.9409 4.6922
H 1.3116 -1.1801 4.7823
C -2.4828 -1.9100 2.3818
H -2.1316 -1.7967 1.3694
H -2.0061 -2.7762 2.8253
H -3.5544 -2.0694 2.3730
C -2.7381 0.6111 2.5916
H -2.4554 1.4689 3.1897
H -2.3643 0.7489 1.5909
H -3.8193 0.5441 2.5642
N 1.4228 -0.3097 2.8561
C 1.7254 -0.3067 4.3035
H 1.3031 0.5760 4.7634
H -2.1586 -1.7089 5.0881
C 2.6232 -0.1181 2.0145
C 3.6373 0.4500 3.0205
H 3.4812 1.5157 3.1262
C 3.2676 -0.2746 4.3331
H 3.6422 0.2279 5.2140
H 3.6574 -1.2855 4.3140
H 4.6584 0.2715 2.7145
H 3.7947 2.0464 0.2531
H 2.9582 -1.0770 1.6376
H 2.4009 0.5455 1.1953
H 3.6341 2.1414 -1.4887
C 1.2331 3.1083 0.8334
83
Frame 2
C -3.5778 0.0249 -2.0837
C -2.1417 -0.3103 -1.6158
N -1.1903 0.8051 -1.8402
C -1.6861 2.0799 -1.2610
C -3.0939 2.4675 -1.7452
C -4.0793 1.3280 -1.4358
H -2.1724 -0.4575 -0.5441
H -3.6106 0.1380 -3.1603
H -4.2315 -0.8015 -1.8203
H -1.7064 1.9608 -0.1861
H -0.9650 2.8504 -1.4848
H -3.3979 3.3816 -1.2455
H -3.0888 2.6650 -2.8118
H -4.1473 1.1955 -0.3598
H -5.0724 1.5692 -1.7996
C -0.7106 0.9633 -3.2325
H 0.0942 1.6833 -3.2095
H -1.4937 1.3651 -3.8735
C -1.6236 -1.6071 -2.2628
C -0.2368 -0.3569 -3.8652
C -1.3573 -1.3971 -3.7582
H -2.2470 -1.0609 -4.2755
H -1.0469 -2.3313 -4.2160
H -0.0243 -0.1518 -4.9107
C -0.3429 -2.1465 -1.6013
H -0.1613 -3.1468 -2.0013
H -0.4800 -2.2275 -0.5332
N 0.8597 -1.3027 -1.8278
C 1.0451 -0.9558 -3.2621
H 1.2389 -1.8806 -3.8154
C 2.0545 -2.0145 -1.3013
H 2.1745 -2.9642 -1.8269
H 1.8715 -2.2294 -0.2569
C 2.2743 -0.0543 -3.4269
H 2.1394 0.8474 -2.8465
H 2.3778 0.2119 -4.4747
C 3.3268 -1.1747 -1.4595
H 3.2283 -0.2733 -0.8731
H 4.1746 -1.7428 -1.0889
C 3.5344 -0.7813 -2.9297
H 4.4007 -0.1366 -3.0238
H 3.7108 -1.6686 -3.5323
H -2.3898 -2.3651 -2.1247
Li 0.5217 0.4507 -0.6112
C 1.7132 2.3160 -0.4257
H 1.2810 2.8478 -1.2906
C 3.2511 2.5385 -0.5524
H 3.5390 3.5948 -0.5143
H 1.6089 2.6550 1.7478
H 1.5707 4.1544 0.8439
H 0.1490 3.1226 0.9087
O -0.1159 -0.3510 1.1607
C 0.1896 -0.3814 2.3633
O -0.7079 -0.5190 3.3576
C -2.1640 -0.6665 3.2109
C -2.6193 -0.8383 4.6600
H -2.3303 0.0281 5.2402
H -3.6957 -0.9518 4.7005
H 1.3117 -1.1769 4.7787
C -2.4832 -1.9147 2.3860
H -2.1356 -1.7993 1.3726
H -2.0016 -2.7793 2.8274
H -3.5541 -2.0785 2.3805
C -2.7477 0.6052 2.5981
H -2.4664 1.4638 3.1958
H -2.3774 0.7449 1.5962
H -3.8287 0.5341 2.5739
N 1.4185 -0.3064 2.8522
C 1.7242 -0.3034 4.2990
H 1.3026 0.5792 4.7597
H -2.1524 -1.7142 5.0916
C 2.6172 -0.1152 2.0082
C 3.6332 0.4536 3.0117
H 3.4771 1.5192 3.1173
C 3.2665 -0.2708 4.3252
H 3.6428 0.2320 5.2053
H 3.6565 -1.2816 4.3056
H 4.6537 0.2752 2.7035
H 3.7962 2.0454 0.2539
H 2.9515 -1.0744 1.6313
H 2.3933 0.5480 1.1889
H 3.6368 2.1377 -1.4882
C 1.2352 3.1111 0.8305
83
Frame 3
C -3.5754 0.0268 -2.0823
C -2.1394 -0.3096 -1.6149
N -1.1875 0.8054 -1.8387
C -1.6823 2.0799 -1.2579
C -3.0900 2.4689 -1.7414
C -4.0760 1.3296 -1.4330
H -2.1698 -0.4574 -0.5433
H -3.6082 0.1412 -3.1589
H -4.2295 -0.7994 -1.8198
H -1.7024 1.9593 -0.1831
H -0.9608 2.8502 -1.4811
H -3.3933 3.3826 -1.2407
H -3.0849 2.6675 -2.8078
H -4.1438 1.1960 -0.3571
H -5.0690 1.5717 -1.7963
C -0.7073 0.9644 -3.2307
H 0.0980 1.6838 -3.2070
H -1.4899 1.3671 -3.8717
C -1.6221 -1.6062 -2.2628
C -0.2342 -0.3558 -3.8642
C -1.3555 -1.3952 -3.7580
H -2.2449 -1.0579 -4.2751
H -1.0457 -2.3293 -4.2165
H -0.0214 -0.1501 -4.9095
C -0.3419 -2.1469 -1.6015
H -0.1610 -3.1471 -2.0020
H -0.4792 -2.2283 -0.5334
N 0.8615 -1.3039 -1.8273
C 1.0471 -0.9562 -3.2615
H 1.2400 -1.8808 -3.8153
C 2.0557 -2.0176 -1.3019
H 2.1742 -2.9670 -1.8285
H 1.8729 -2.2336 -0.2576
C 2.2774 -0.0559 -3.4258
H 2.1436 0.8454 -2.8444
H 2.3808 0.2111 -4.4733
C 3.3292 -1.1796 -1.4598
H 3.2323 -0.2786 -0.8724
H 4.1762 -1.7492 -1.0901
C 3.5368 -0.7850 -2.9297
H 4.4038 -0.1413 -3.0235
H 3.7118 -1.6720 -3.5332
H -2.3887 -2.3638 -2.1255
Li 0.5217 0.4506 -0.6112
C 1.7146 2.3161 -0.4261
H 1.2836 2.8469 -1.2923
C 3.2528 2.5371 -0.5519
H 3.5416 3.5934 -0.5150
H 1.6087 2.6585 1.7468
H 1.5732 4.1564 0.8406
H 0.1501 3.1267 0.9056
O -0.1240 -0.3480 1.1598
C 0.1841 -0.3790 2.3618
O -0.7109 -0.5177 3.3581
C -2.1669 -0.6701 3.2153
C -2.6173 -0.8446 4.6657
H -2.3296 0.0223 5.2457
H -3.6932 -0.9617 4.7094
H 1.3123 -1.1740 4.7744
C -2.4844 -1.9187 2.3904
H -2.1404 -1.8013 1.3759
H -1.9984 -2.7820 2.8295
H -3.5548 -2.0862 2.3881
C -2.7568 0.6000 2.6051
H -2.4765 1.4592 3.2024
H -2.3901 0.7415 1.6021
H -3.8376 0.5253 2.5842
N 1.4140 -0.3034 2.8478
C 1.7233 -0.3003 4.2938
H 1.3024 0.5820 4.7557
H -2.1462 -1.7192 5.0951
C 2.6108 -0.1122 2.0010
C 3.6290 0.4570 3.0019
H 3.4729 1.5226 3.1076
C 3.2656 -0.2672 4.3164
H 3.6438 0.2359 5.1955
H 3.6559 -1.2778 4.2960
H 4.6488 0.2788 2.6913
H 3.7968 2.0448 0.2554
H 2.9444 -1.0717 1.6241
H 2.3853 0.5506 1.1818
H 3.6390 2.1348 -1.4868
C 1.2364 3.1136 0.8284
83
Frame 4
C -3.5730 0.0286 -2.0811
C -2.1373 -0.3090 -1.6141
N -1.1848 0.8057 -1.8374
C -1.6788 2.0798 -1.2552
C -3.0863 2.4700 -1.7379
C -4.0728 1.3310 -1.4304
H -2.1673 -0.4572 -0.5425
H -3.6058 0.1439 -3.1575
H -4.2276 -0.7975 -1.8192
H -1.6986 1.9580 -0.1805
H -0.9570 2.8500 -1.4777
H -3.3891 3.3834 -1.2363
H -3.0814 2.6696 -2.8042
H -4.1405 1.1963 -0.3546
H -5.0659 1.5739 -1.7933
C -0.7042 0.9653 -3.2291
H 0.1015 1.6843 -3.2047
H -1.4864 1.3689 -3.8701
C -1.6205 -1.6054 -2.2628
C -0.2317 -0.3548 -3.8632
C -1.3537 -1.3936 -3.7579
H -2.2428 -1.0553 -4.2747
H -1.0445 -2.3275 -4.2170
H -0.0186 -0.1486 -4.9084
C -0.3408 -2.1473 -1.6015
H -0.1605 -3.1474 -2.0025
H -0.4785 -2.2291 -0.5335
N 0.8633 -1.3051 -1.8267
C 1.0491 -0.9566 -3.2608
H 1.2411 -1.8811 -3.8151
C 2.0568 -2.0207 -1.3024
H 2.1740 -2.9697 -1.8299
H 1.8742 -2.2376 -0.2583
C 2.2803 -0.0575 -3.4246
H 2.1477 0.8434 -2.8424
H 2.3838 0.2104 -4.4718
C 3.3314 -1.1843 -1.4600
H 3.2362 -0.2837 -0.8717
H 4.1778 -1.7555 -1.0911
C 3.5390 -0.7886 -2.9296
H 4.4068 -0.1459 -3.0231
H 3.7127 -1.6752 -3.5340
H -2.3877 -2.3627 -2.1261
Li 0.5218 0.4506 -0.6113
C 1.7155 2.3165 -0.4261
H 1.2855 2.8465 -1.2931
C 3.2539 2.5366 -0.5508
H 3.5430 3.5925 -0.5145
H 1.6077 2.6612 1.7464
H 1.5746 4.1583 0.8386
H 0.1505 3.1299 0.9035
O -0.1316 -0.3454 1.1588
C 0.1790 -0.3769 2.3602
O -0.7137 -0.5166 3.3584
C -2.1696 -0.6730 3.2194
C -2.6155 -0.8499 4.6709
H -2.3284 0.0174 5.2508
H -3.6909 -0.9700 4.7176
H 1.3132 -1.1718 4.7702
C -2.4860 -1.9219 2.3944
H -2.1451 -1.8028 1.3791
H -1.9966 -2.7843 2.8316
H -3.5559 -2.0921 2.3950
C -2.7647 0.5959 2.6117
H -2.4850 1.4554 3.2087
H -2.4013 0.7389 1.6076
H -3.8454 0.5183 2.5939
N 1.4100 -0.3008 2.8435
C 1.7226 -0.2978 4.2887
H 1.3024 0.5843 4.7516
H -2.1407 -1.7235 5.0983
C 2.6049 -0.1098 1.9940
C 3.6251 0.4602 2.9923
H 3.4688 1.5257 3.0981
C 3.2650 -0.2639 4.3077
H 3.6450 0.2395 5.1859
H 3.6558 -1.2743 4.2867
H 4.6442 0.2824 2.6793
H 3.7972 2.0446 0.2575
H 2.9379 -1.0694 1.6171
H 2.3776 0.5526 1.1750
H 3.6405 2.1332 -1.4852
C 1.2367 3.1157 0.8273
83
Frame 5
C -3.5702 0.0305 -2.0796
C -2.1346 -0.3083 -1.6130
N -1.1816 0.8060 -1.8359
C -1.6746 2.0798 -1.2520
C -3.0820 2.4713 -1.7339
C -4.0691 1.3325 -1.4274
H -2.1644 -0.4571 -0.5416
H -3.6031 0.1471 -3.1559
H -4.2253 -0.7954 -1.8185
H -1.6941 1.9564 -0.1775
H -0.9525 2.8497 -1.4739
H -3.3841 3.3843 -1.2311
H -3.0772 2.6721 -2.7999
H -4.1365 1.1967 -0.3517
H -5.0621 1.5765 -1.7896
C -0.7005 0.9663 -3.2273
H 0.1057 1.6847 -3.2020
H -1.4822 1.3709 -3.8683
C -1.6187 -1.6045 -2.2627
C -0.2287 -0.3537 -3.8620
C -1.3515 -1.3917 -3.7575
H -2.2403 -1.0524 -4.2742
H -1.0430 -2.3256 -4.2174
H -0.0152 -0.1471 -4.9070
C -0.3396 -2.1478 -1.6014
H -0.1600 -3.1478 -2.0029
H -0.4776 -2.2300 -0.5335
N 0.8655 -1.3065 -1.8260
C 1.0515 -0.9571 -3.2598
H 1.2424 -1.8815 -3.8148
C 2.0582 -2.0245 -1.3029
H 2.1737 -2.9730 -1.8316
H 1.8758 -2.2425 -0.2590
C 2.2838 -0.0595 -3.4230
H 2.1525 0.8410 -2.8397
H 2.3873 0.2096 -4.4700
C 3.3342 -1.1900 -1.4602
H 3.2411 -0.2900 -0.8708
H 4.1797 -1.7632 -1.0925
C 3.5417 -0.7929 -2.9294
H 4.4104 -0.1514 -3.0225
H 3.7138 -1.6791 -3.5349
H -2.3863 -2.3614 -2.1266
Li 0.5218 0.4507 -0.6113
C 1.7159 2.3172 -0.4254
H 1.2872 2.8467 -1.2935
C 3.2546 2.5364 -0.5487
H 3.5444 3.5924 -0.5129
H 1.6057 2.6637 1.7466
H 1.5753 4.1600 0.8376
H 0.1500 3.1334 0.9015
O -0.1405 -0.3425 1.1574
C 0.1732 -0.3747 2.3580
O -0.7168 -0.5157 3.3585
C -2.1727 -0.6761 3.2240
C -2.6132 -0.8555 4.6769
H -2.3265 0.0120 5.2566
H -3.6881 -0.9787 4.7271
H 1.3147 -1.1697 4.7648
C -2.4883 -1.9251 2.3989
H -2.1513 -1.8041 1.3825
H -1.9951 -2.7865 2.8336
H -3.5578 -2.0983 2.4030
C -2.7734 0.5916 2.6193
H -2.4939 1.4515 3.2159
H -2.4140 0.7363 1.6140
H -3.8539 0.5110 2.6053
N 1.4054 -0.2981 2.8380
C 1.7220 -0.2952 4.2824
H 1.3024 0.5864 4.7467
H -2.1345 -1.7282 5.1018
C 2.5980 -0.1069 1.9854
C 3.6204 0.4640 2.9806
H 3.4638 1.5295 3.0865
C 3.2645 -0.2600 4.2971
H 3.6464 0.2438 5.1742
H 3.6560 -1.2702 4.2752
H 4.6389 0.2868 2.6649
H 3.7967 2.0448 0.2603
H 2.9305 -1.0668 1.6085
H 2.3686 0.5551 1.1665
H 3.6420 2.1322 -1.4823
C 1.2364 3.1179 0.8267
83
Frame 6
C -3.5673 0.0325 -2.0780
C -2.1320 -0.3077 -1.6119
N -1.1784 0.8062 -1.8343
C -1.6703 2.0796 -1.2488
C -3.0776 2.4725 -1.7298
C -4.0653 1.3341 -1.4242
H -2.1614 -0.4569 -0.5406
H -3.6003 0.1503 -3.1542
H -4.2229 -0.7933 -1.8178
H -1.6895 1.9548 -0.1744
H -0.9479 2.8494 -1.4701
H -3.3789 3.3852 -1.2259
H -3.0730 2.6745 -2.7956
H -4.1323 1.1971 -0.3487
H -5.0583 1.5790 -1.7859
C -0.6968 0.9672 -3.2254
H 0.1099 1.6851 -3.1993
H -1.4780 1.3727 -3.8664
C -1.6169 -1.6037 -2.2624
C -0.2256 -0.3528 -3.8607
C -1.3492 -1.3901 -3.7571
H -2.2378 -1.0496 -4.2735
H -1.0414 -2.3238 -4.2176
H -0.0118 -0.1458 -4.9055
C -0.3383 -2.1484 -1.6012
H -0.1595 -3.1484 -2.0031
H -0.4767 -2.2309 -0.5334
N 0.8677 -1.3081 -1.8251
C 1.0540 -0.9578 -3.2588
H 1.2439 -1.8820 -3.8144
C 2.0597 -2.0285 -1.3035
H 2.1734 -2.9765 -1.8334
H 1.8775 -2.2477 -0.2597
C 2.2873 -0.0615 -3.4212
H 2.1574 0.8383 -2.8367
H 2.3908 0.2088 -4.4679
C 3.3371 -1.1961 -1.4604
H 3.2461 -0.2967 -0.8697
H 4.1818 -1.7713 -1.0939
C 3.5444 -0.7973 -2.9292
H 4.4141 -0.1570 -3.0219
H 3.7150 -1.6830 -3.5359
H -2.3850 -2.3602 -2.1271
Li 0.5218 0.4507 -0.6113
C 1.7159 2.3183 -0.4243
H 1.2886 2.8473 -1.2932
C 3.2549 2.5368 -0.5458
H 3.5449 3.5924 -0.5101
H 1.6030 2.6659 1.7475
H 1.5754 4.1618 0.8376
H 0.1490 3.1366 0.9003
O -0.1495 -0.3396 1.1558
C 0.1674 -0.3726 2.3556
O -0.7197 -0.5150 3.3583
C -2.1757 -0.6789 3.2285
C -2.6108 -0.8607 4.6827
H -2.3243 0.0070 5.2622
H -3.6852 -0.9866 4.7365
H 1.3166 -1.1678 4.7589
C -2.4911 -1.9280 2.4034
H -2.1578 -1.8053 1.3859
H -1.9942 -2.7886 2.8356
H -3.5601 -2.1038 2.4109
C -2.7817 0.5877 2.6268
H -2.5021 1.4479 3.2229
H -2.4264 0.7340 1.6202
H -3.8620 0.5045 2.6167
N 1.4008 -0.2955 2.8322
C 1.7216 -0.2928 4.2756
H 1.3024 0.5882 4.7414
H -2.1284 -1.7326 5.1052
C 2.5911 -0.1041 1.9764
C 3.6157 0.4680 2.9685
H 3.4584 1.5333 3.0747
C 3.2641 -0.2561 4.2860
H 3.6480 0.2482 5.1620
H 3.6565 -1.2659 4.2632
H 4.6334 0.2917 2.6499
H 3.7960 2.0453 0.2641
H 2.9232 -1.0640 1.5994
H 2.3594 0.5576 1.1578
H 3.6431 2.1319 -1.4789
C 1.2354 3.1200 0.8268
83
Frame 7
C -3.5642 0.0346 -2.0763
C -2.1291 -0.3070 -1.6107
N -1.1749 0.8063 -1.8326
C -1.6657 2.0794 -1.2454
C -3.0728 2.4739 -1.7253
C -4.0611 1.3357 -1.4208
H -2.1582 -0.4568 -0.5395
H -3.5972 0.1537 -3.1523
H -4.2204 -0.7911 -1.8170
H -1.6844 1.9530 -0.1711
H -0.9429 2.8489 -1.4660
H -3.3733 3.3861 -1.2201
H -3.0684 2.6772 -2.7908
H -4.1279 1.1974 -0.3454
H -5.0541 1.5817 -1.7818
C -0.6928 0.9681 -3.2233
H 0.1144 1.6853 -3.1966
H -1.4735 1.3745 -3.8644
C -1.6149 -1.6030 -2.2620
C -0.2224 -0.3520 -3.8592
C -1.3468 -1.3884 -3.7565
H -2.2350 -1.0469 -4.2727
H -1.0397 -2.3221 -4.2177
H -0.0081 -0.1445 -4.9039
C -0.3369 -2.1491 -1.6008
H -0.1590 -3.1491 -2.0032
H -0.4757 -2.2319 -0.5330
N 0.8701 -1.3100 -1.8241
C 1.0566 -0.9586 -3.2575
H 1.2455 -1.8825 -3.8138
C 2.0612 -2.0330 -1.3040
H 2.1730 -2.9805 -1.8354
H 1.8794 -2.2535 -0.2605
C 2.2910 -0.0637 -3.4191
H 2.1626 0.8355 -2.8331
H 2.3945 0.2082 -4.4654
C 3.3402 -1.2029 -1.4606
H 3.2516 -0.3041 -0.8685
H 4.1839 -1.7803 -1.0955
C 3.5473 -0.8022 -2.9289
H 4.4180 -0.1631 -3.0211
H 3.7161 -1.6872 -3.5370
H -2.3836 -2.3590 -2.1274
Li 0.5218 0.4508 -0.6111
C 1.7158 2.3196 -0.4224
H 1.2898 2.8484 -1.2921
C 3.2548 2.5376 -0.5420
H 3.5453 3.5935 -0.5062
H 1.5993 2.6677 1.7492
H 1.5749 4.1634 0.8391
H 0.1474 3.1398 0.8993
O -0.1591 -0.3365 1.1539
C 0.1613 -0.3705 2.3528
O -0.7228 -0.5145 3.3580
C -2.1788 -0.6817 3.2329
C -2.6083 -0.8657 4.6886
H -2.3217 0.0022 5.2678
H -3.6822 -0.9942 4.7462
H 1.3191 -1.1666 4.7521
C -2.4944 -1.9308 2.4079
H -2.1650 -1.8064 1.3893
H -1.9941 -2.7907 2.8376
H -3.5630 -2.1089 2.4191
C -2.7899 0.5840 2.6344
H -2.5099 1.4444 3.2300
H -2.4389 0.7316 1.6264
H -3.8701 0.4984 2.6285
N 1.3960 -0.2929 2.8257
C 1.7213 -0.2907 4.2680
H 1.3023 0.5894 4.7357
H -2.1223 -1.7368 5.1086
C 2.5837 -0.1009 1.9664
C 3.6105 0.4727 2.9551
H 3.4522 1.5378 3.0616
C 3.2639 -0.2518 4.2737
H 3.6497 0.2530 5.1485
H 3.6576 -1.2611 4.2496
H 4.6274 0.2976 2.6334
H 3.7949 2.0462 0.2685
H 2.9156 -1.0609 1.5895
H 2.3494 0.5602 1.1480
H 3.6442 2.1325 -1.4745
C 1.2338 3.1220 0.8278
83
Frame 8
C -3.5610 0.0367 -2.0745
C -2.1262 -0.3065 -1.6094
N -1.1713 0.8063 -1.8307
C -1.6607 2.0790 -1.2417
C -3.0676 2.4752 -1.7205
C -4.0568 1.3374 -1.4172
H -2.1551 -0.4567 -0.5382
H -3.5939 0.1573 -3.1505
H -4.2179 -0.7887 -1.8163
H -1.6790 1.9510 -0.1676
H -0.9374 2.8482 -1.4615
H -3.3672 3.3870 -1.2139
H -3.0635 2.6800 -2.7857
H -4.1233 1.1978 -0.3420
H -5.0496 1.5847 -1.7776
C -0.6888 0.9688 -3.2211
H 0.1189 1.6854 -3.1937
H -1.4690 1.3761 -3.8622
C -1.6129 -1.6023 -2.2615
C -0.2191 -0.3513 -3.8576
C -1.3444 -1.3870 -3.7557
H -2.2323 -1.0443 -4.2718
H -1.0380 -2.3205 -4.2176
H -0.0044 -0.1435 -4.9021
C -0.3355 -2.1500 -1.6003
H -0.1586 -3.1499 -2.0031
H -0.4747 -2.2331 -0.5326
N 0.8725 -1.3121 -1.8230
C 1.0592 -0.9595 -3.2561
H 1.2473 -1.8832 -3.8132
C 2.0628 -2.0379 -1.3047
H 2.1726 -2.9847 -1.8376
H 1.8813 -2.2600 -0.2614
C 2.2948 -0.0659 -3.4167
H 2.1677 0.8324 -2.8291
H 2.3981 0.2078 -4.4625
C 3.3433 -1.2101 -1.4608
H 3.2574 -0.3122 -0.8671
H 4.1862 -1.7899 -1.0974
C 3.5502 -0.8072 -2.9285
H 4.4218 -0.1693 -3.0201
H 3.7173 -1.6914 -3.5383
H -2.3822 -2.3579 -2.1275
Li 0.5219 0.4509 -0.6108
C 1.7153 2.3214 -0.4200
H 1.2908 2.8503 -1.2903
C 3.2547 2.5391 -0.5374
H 3.5451 3.5947 -0.5009
H 1.5952 2.6691 1.7516
H 1.5741 4.1649 0.8416
H 0.1454 3.1429 0.8993
O -0.1689 -0.3333 1.1517
C 0.1551 -0.3684 2.3497
O -0.7259 -0.5143 3.3573
C -2.1820 -0.6843 3.2373
C -2.6058 -0.8703 4.6943
H -2.3189 -0.0023 5.2731
H -3.6792 -1.0011 4.7559
H 1.3221 -1.1657 4.7447
C -2.4980 -1.9334 2.4124
H -2.1725 -1.8076 1.3927
H -1.9946 -2.7927 2.8396
H -3.5662 -2.1136 2.4272
C -2.7980 0.5805 2.6418
H -2.5172 1.4411 3.2367
H -2.4514 0.7293 1.6324
H -3.8780 0.4928 2.6403
N 1.3912 -0.2904 2.8187
C 1.7213 -0.2888 4.2599
H 1.3023 0.5903 4.7297
H -2.1164 -1.7407 5.1119
C 2.5761 -0.0974 1.9558
C 3.6051 0.4778 2.9411
H 3.4454 1.5426 3.0481
C 3.2638 -0.2474 4.2606
H 3.6515 0.2579 5.1343
H 3.6591 -1.2560 4.2352
H 4.6212 0.3044 2.6161
H 3.7936 2.0474 0.2736
H 2.9080 -1.0573 1.5788
H 2.3390 0.5632 1.1378
H 3.6450 2.1340 -1.4695
C 1.2318 3.1239 0.8296
83
Frame 9
C -3.5578 0.0389 -2.0728
C -2.1234 -0.3061 -1.6080
N -1.1677 0.8061 -1.8288
C -1.6556 2.0784 -1.2378
C -3.0623 2.4766 -1.7155
C -4.0523 1.3392 -1.4137
H -2.1520 -0.4568 -0.5369
H -3.5905 0.1610 -3.1486
H -4.2155 -0.7862 -1.8157
H -1.6735 1.9487 -0.1639
H -0.9318 2.8473 -1.4569
H -3.3609 3.3878 -1.2075
H -3.0582 2.6830 -2.7805
H -4.1187 1.1981 -0.3387
H -5.0450 1.5878 -1.7736
C -0.6850 0.9693 -3.2189
H 0.1232 1.6854 -3.1910
H -1.4648 1.3774 -3.8599
C -1.6110 -1.6019 -2.2608
C -0.2160 -0.3508 -3.8560
C -1.3420 -1.3858 -3.7549
H -2.2296 -1.0421 -4.2708
H -1.0363 -2.3192 -4.2174
H -0.0009 -0.1427 -4.9003
C -0.3343 -2.1510 -1.5996
H -0.1583 -3.1510 -2.0029
H -0.4738 -2.2344 -0.5320
N 0.8749 -1.3144 -1.8218
C 1.0618 -0.9605 -3.2547
H 1.2490 -1.8838 -3.8126
C 2.0644 -2.0430 -1.3054
H 2.1721 -2.9891 -1.8399
H 1.8833 -2.2667 -0.2624
C 2.2983 -0.0680 -3.4142
H 2.1726 0.8292 -2.8247
H 2.4015 0.2076 -4.4594
C 3.3464 -1.2174 -1.4611
H 3.2630 -0.3205 -0.8655
H 4.1883 -1.7997 -1.0994
C 3.5530 -0.8120 -2.9281
H 4.4255 -0.1753 -3.0190
H 3.7184 -1.6953 -3.5397
H -2.3809 -2.3569 -2.1275
Li 0.5220 0.4509 -0.6106
C 1.7149 2.3233 -0.4170
H 1.2921 2.8525 -1.2878
C 3.2545 2.5409 -0.5318
H 3.5450 3.5966 -0.4945
H 1.5908 2.6701 1.7546
H 1.5728 4.1664 0.8453
H 0.1431 3.1457 0.8998
O -0.1786 -0.3302 1.1493
C 0.1489 -0.3665 2.3464
O -0.7288 -0.5143 3.3565
C -2.1851 -0.6868 3.2412
C -2.6034 -0.8744 4.6997
H -2.3160 -0.0062 5.2780
H -3.6764 -1.0072 4.7650
H 1.3256 -1.1655 4.7367
C -2.5019 -1.9358 2.4167
H -2.1800 -1.8089 1.3959
H -1.9957 -2.7946 2.8417
H -3.5697 -2.1177 2.4350
C -2.8055 0.5772 2.6487
H -2.5237 1.4381 3.2428
H -2.4633 0.7270 1.6379
H -3.8854 0.4878 2.6516
N 1.3864 -0.2878 2.8115
C 1.7214 -0.2872 4.2516
H 1.3023 0.5905 4.7237
H -2.1109 -1.7441 5.1150
C 2.5686 -0.0936 1.9450
C 3.5996 0.4834 2.9268
H 3.4382 1.5478 3.0346
C 3.2640 -0.2428 4.2472
H 3.6535 0.2629 5.1198
H 3.6611 -1.2506 4.2201
H 4.6149 0.3121 2.5984
H 3.7922 2.0489 0.2797
H 2.9006 -1.0534 1.5679
H 2.3285 0.5665 1.1274
H 3.6462 2.1361 -1.4635
C 1.2297 3.1257 0.8322
83
Frame 10
C -3.5545 0.0411 -2.0712
C -2.1206 -0.3058 -1.6065
N -1.1640 0.8056 -1.8267
C -1.6505 2.0776 -1.2337
C -3.0567 2.4779 -1.7105
C -4.0478 1.3410 -1.4104
H -2.1492 -0.4569 -0.5356
H -3.5870 0.1646 -3.1468
H -4.2132 -0.7837 -1.8152
H -1.6681 1.9460 -0.1601
H -0.9260 2.8461 -1.4519
H -3.3543 3.3886 -1.2010
H -3.0525 2.6860 -2.7752
H -4.1144 1.1985 -0.3356
H -5.0403 1.5911 -1.7699
C -0.6813 0.9696 -3.2167
H 0.1274 1.6852 -3.1883
H -1.4608 1.3785 -3.8575
C -1.6092 -1.6016 -2.2601
C -0.2131 -0.3505 -3.8542
C -1.3399 -1.3848 -3.7539
H -2.2271 -1.0401 -4.2698
H -1.0347 -2.3182 -4.2170
H 0.0024 -0.1420 -4.8984
C -0.3331 -2.1523 -1.5990
H -0.1581 -3.1522 -2.0026
H -0.4729 -2.2359 -0.5314
N 0.8771 -1.3168 -1.8206
C 1.0641 -0.9616 -3.2532
H 1.2508 -1.8845 -3.8120
C 2.0658 -2.0483 -1.3062
H 2.1716 -2.9936 -1.8425
H 1.8852 -2.2738 -0.2635
C 2.3015 -0.0701 -3.4114
H 2.1770 0.8262 -2.8200
H 2.4046 0.2077 -4.4562
C 3.3493 -1.2248 -1.4613
H 3.2684 -0.3288 -0.8638
H 4.1904 -1.8093 -1.1015
C 3.5556 -0.8166 -2.9276
H 4.4288 -0.1809 -3.0177
H 3.7194 -1.6988 -3.5411
H -2.3798 -2.3561 -2.1274
Li 0.5223 0.4508 -0.6100
C 1.7147 2.3253 -0.4133
H 1.2932 2.8546 -1.2845
C 3.2545 2.5432 -0.5256
H 3.5447 3.5988 -0.4874
H 1.5868 2.6713 1.7583
H 1.5711 4.1678 0.8496
H 0.1409 3.1477 0.9013
O -0.1882 -0.3270 1.1469
C 0.1429 -0.3646 2.3430
O -0.7316 -0.5146 3.3555
C -2.1881 -0.6891 3.2449
C -2.6012 -0.8780 4.7047
H -2.3132 -0.0096 5.2824
H -3.6737 -1.0125 4.7735
H 1.3296 -1.1658 4.7283
C -2.5059 -1.9381 2.4207
H -2.1874 -1.8103 1.3989
H -1.9972 -2.7965 2.8436
H -3.5734 -2.1214 2.4423
C -2.8125 0.5743 2.6550
H -2.5296 1.4354 3.2481
H -2.4745 0.7247 1.6429
H -3.8922 0.4833 2.6622
N 1.3818 -0.2852 2.8041
C 1.7217 -0.2859 4.2430
H 1.3023 0.5901 4.7178
H -2.1060 -1.7471 5.1179
C 2.5610 -0.0895 1.9341
C 3.5939 0.4895 2.9125
H 3.4305 1.5535 3.0212
C 3.2643 -0.2381 4.2334
H 3.6556 0.2678 5.1051
H 3.6635 -1.2451 4.2043
H 4.6086 0.3206 2.5806
H 3.7912 2.0510 0.2866
H 2.8935 -1.0491 1.5568
H 2.3178 0.5701 1.1169
H 3.6476 2.1386 -1.4569
C 1.2275 3.1273 0.8355
83
Frame 11
C -3.5513 0.0432 -2.0697
C -2.1180 -0.3057 -1.6049
N -1.1603 0.8049 -1.8244
C -1.6452 2.0766 -1.2295
C -3.0509 2.4791 -1.7056
C -4.0433 1.3429 -1.4074
H -2.1466 -0.4573 -0.5342
H -3.5834 0.1681 -3.1452
H -4.2110 -0.7810 -1.8149
H -1.6628 1.9431 -0.1561
H -0.9199 2.8445 -1.4465
H -3.3475 3.3893 -1.1946
H -3.0465 2.6890 -2.7700
H -4.1103 1.1990 -0.3328
H -5.0354 1.5946 -1.7668
C -0.6778 0.9696 -3.2143
H 0.1312 1.6848 -3.1856
H -1.4572 1.3794 -3.8548
C -1.6076 -1.6015 -2.2593
C -0.2104 -0.3505 -3.8525
C -1.3379 -1.3840 -3.7529
H -2.2248 -1.0385 -4.2686
H -1.0333 -2.3173 -4.2166
H 0.0054 -0.1416 -4.8965
C -0.3321 -2.1539 -1.5983
H -0.1580 -3.1537 -2.0025
H -0.4721 -2.2378 -0.5308
N 0.8792 -1.3196 -1.8194
C 1.0663 -0.9628 -3.2517
H 1.2524 -1.8852 -3.8115
C 2.0672 -2.0537 -1.3071
H 2.1713 -2.9981 -1.8454
H 1.8870 -2.2812 -0.2647
C 2.3043 -0.0720 -3.4086
H 2.1809 0.8231 -2.8152
H 2.4072 0.2080 -4.4527
C 3.3520 -1.2320 -1.4615
H 3.2733 -0.3371 -0.8621
H 4.1924 -1.8187 -1.1036
C 3.5579 -0.8209 -2.9271
H 4.4318 -0.1859 -3.0162
H 3.7204 -1.7019 -3.5426
H -2.3789 -2.3555 -2.1271
Li 0.5227 0.4503 -0.6092
C 1.7150 2.3269 -0.4086
H 1.2947 2.8562 -1.2805
C 3.2549 2.5459 -0.5186
H 3.5442 3.6019 -0.4802
H 1.5845 2.6732 1.7629
H 1.5683 4.1695 0.8538
H 0.1390 3.1480 0.9045
O -0.1978 -0.3240 1.1444
C 0.1370 -0.3627 2.3395
O -0.7344 -0.5151 3.3543
C -2.1910 -0.6912 3.2481
C -2.5993 -0.8811 4.7092
H -2.3106 -0.0125 5.2862
H -3.6714 -1.0171 4.7814
H 1.3340 -1.1666 4.7194
C -2.5099 -1.9403 2.4245
H -2.1947 -1.8117 1.4018
H -1.9991 -2.7983 2.8456
H -3.5772 -2.1247 2.4492
C -2.8190 0.5715 2.6608
H -2.5348 1.4330 3.2529
H -2.4851 0.7224 1.6473
H -3.8986 0.4794 2.6720
N 1.3772 -0.2824 2.7966
C 1.7223 -0.2849 4.2342
H 1.3025 0.5893 4.7121
H -2.1016 -1.7497 5.1205
C 2.5535 -0.0847 1.9229
C 3.5882 0.4962 2.8980
H 3.4225 1.5596 3.0082
C 3.2648 -0.2335 4.2193
H 3.6579 0.2724 5.0902
H 3.6662 -1.2395 4.1877
H 4.6020 0.3301 2.5624
H 3.7908 2.0544 0.2942
H 2.8865 -1.0438 1.5452
H 2.3070 0.5748 1.1065
H 3.6496 2.1416 -1.4493
C 1.2257 3.1286 0.8397
83
Frame 12
C -3.5482 0.0453 -2.0683
C -2.1154 -0.3059 -1.6033
N -1.1567 0.8040 -1.8220
C -1.6400 2.0753 -1.2251
C -3.0450 2.4803 -1.7009
C -4.0388 1.3449 -1.4047
H -2.1442 -0.4580 -0.5327
H -3.5797 0.1713 -3.1437
H -4.2090 -0.7784 -1.8147
H -1.6579 1.9398 -0.1519
H -0.9138 2.8427 -1.4407
H -3.3407 3.3901 -1.1885
H -3.0400 2.6919 -2.7649
H -4.1066 1.1997 -0.3304
H -5.0305 1.5981 -1.7643
C -0.6746 0.9695 -3.2118
H 0.1349 1.6843 -3.1830
H -1.4539 1.3800 -3.8518
C -1.6062 -1.6017 -2.2584
C -0.2081 -0.3505 -3.8507
C -1.3362 -1.3835 -3.7519
H -2.2229 -1.0370 -4.2675
H -1.0321 -2.3167 -4.2161
H 0.0080 -0.1412 -4.8946
C -0.3312 -2.1557 -1.5977
H -0.1582 -3.1554 -2.0026
H -0.4714 -2.2401 -0.5303
N 0.8811 -1.3225 -1.8182
C 1.0682 -0.9641 -3.2502
H 1.2540 -1.8859 -3.8111
C 2.0685 -2.0591 -1.3081
H 2.1711 -3.0025 -1.8483
H 1.8888 -2.2886 -0.2661
C 2.3068 -0.0737 -3.4058
H 2.1843 0.8202 -2.8103
H 2.4095 0.2086 -4.4493
C 3.3544 -1.2388 -1.4618
H 3.2776 -0.3451 -0.8603
H 4.1941 -1.8275 -1.1056
C 3.5599 -0.8248 -2.9265
H 4.4344 -0.1904 -3.0147
H 3.7213 -1.7046 -3.5440
H -2.3781 -2.3551 -2.1268
Li 0.5233 0.4491 -0.6079
C 1.7161 2.3280 -0.4030
H 1.2962 2.8561 -1.2756
C 3.2558 2.5493 -0.5109
H 3.5432 3.6057 -0.4737
H 1.5854 2.6772 1.7680
H 1.5632 4.1719 0.8567
H 0.1377 3.1454 0.9100
O -0.2072 -0.3213 1.1418
C 0.1313 -0.3609 2.3361
O -0.7370 -0.5157 3.3531
C -2.1939 -0.6931 3.2511
C -2.5977 -0.8838 4.7133
H -2.3083 -0.0150 5.2896
H -3.6695 -1.0210 4.7885
H 1.3389 -1.1679 4.7100
C -2.5140 -1.9423 2.4280
H -2.2018 -1.8132 1.4044
H -2.0013 -2.7999 2.8474
H -3.5811 -2.1276 2.4556
C -2.8250 0.5690 2.6658
H -2.5396 1.4307 3.2569
H -2.4950 0.7202 1.6511
H -3.9045 0.4759 2.6810
N 1.3727 -0.2794 2.7891
C 1.7231 -0.2842 4.2253
H 1.3029 0.5879 4.7066
H -2.0978 -1.7520 5.1230
C 2.5460 -0.0794 1.9118
C 3.5823 0.5034 2.8836
H 3.4141 1.5661 2.9956
C 3.2656 -0.2288 4.2049
H 3.6605 0.2766 5.0753
H 3.6694 -1.2338 4.1704
H 4.5955 0.3406 2.5443
H 3.7911 2.0599 0.3035
H 2.8798 -1.0381 1.5336
H 2.2962 0.5798 1.0960
H 3.6526 2.1439 -1.4403
C 1.2243 3.1299 0.8444
83
Frame 13
C -3.5451 0.0472 -2.0671
C -2.1131 -0.3062 -1.6016
N -1.1531 0.8029 -1.8194
C -1.6350 2.0739 -1.2207
C -3.0391 2.4814 -1.6966
C -4.0345 1.3468 -1.4025
H -2.1422 -0.4588 -0.5312
H -3.5759 0.1742 -3.1423
H -4.2072 -0.7759 -1.8145
H -1.6534 1.9365 -0.1478
H -0.9078 2.8407 -1.4348
H -3.3339 3.3908 -1.1831
H -3.0333 2.6945 -2.7603
H -4.1033 1.2006 -0.3284
H -5.0256 1.6017 -1.7627
C -0.6717 0.9692 -3.2092
H 0.1382 1.6836 -3.1805
H -1.4511 1.3805 -3.8487
C -1.6051 -1.6021 -2.2575
C -0.2061 -0.3507 -3.8489
C -1.3348 -1.3831 -3.7508
H -2.2212 -1.0358 -4.2663
H -1.0312 -2.3161 -4.2157
H 0.0102 -0.1409 -4.8927
C -0.3305 -2.1578 -1.5973
H -0.1584 -3.1574 -2.0030
H -0.4708 -2.2428 -0.5299
N 0.8826 -1.3255 -1.8172
C 1.0698 -0.9654 -3.2488
H 1.2554 -1.8865 -3.8108
C 2.0697 -2.0643 -1.3091
H 2.1710 -3.0067 -1.8514
H 1.8905 -2.2960 -0.2675
C 2.3087 -0.0753 -3.4030
H 2.1870 0.8175 -2.8056
H 2.4112 0.2093 -4.4459
C 3.3564 -1.2451 -1.4620
H 3.2810 -0.3525 -0.8587
H 4.1957 -1.8353 -1.1074
C 3.5616 -0.8281 -2.9259
H 4.4365 -0.1942 -3.0131
H 3.7221 -1.7068 -3.5453
H -2.3776 -2.3549 -2.1264
Li 0.5239 0.4471 -0.6057
C 1.7181 2.3276 -0.3959
H 1.2978 2.8530 -1.2699
C 3.2574 2.5532 -0.5025
H 3.5415 3.6108 -0.4691
H 1.5914 2.6850 1.7738
H 1.5548 4.1756 0.8565
H 0.1372 3.1384 0.9189
O -0.2166 -0.3188 1.1394
C 0.1257 -0.3591 2.3327
O -0.7395 -0.5164 3.3520
C -2.1966 -0.6948 3.2536
C -2.5965 -0.8861 4.7168
H -2.3065 -0.0171 5.2926
H -3.6680 -1.0244 4.7948
H 1.3441 -1.1697 4.7003
C -2.5180 -1.9441 2.4312
H -2.2084 -1.8146 1.4068
H -2.0036 -2.8015 2.8491
H -3.5848 -2.1302 2.4614
C -2.8305 0.5668 2.6703
H -2.5438 1.4288 3.2604
H -2.5039 0.7181 1.6545
H -3.9099 0.4728 2.6890
N 1.3684 -0.2763 2.7815
C 1.7242 -0.2837 4.2163
H 1.3035 0.5860 4.7016
H -2.0948 -1.7538 5.1252
C 2.5386 -0.0735 1.9006
C 3.5765 0.5111 2.8695
H 3.4054 1.5730 2.9838
C 3.2665 -0.2243 4.1904
H 3.6632 0.2804 5.0604
H 3.6728 -1.2282 4.1524
H 4.5889 0.3520 2.5262
H 3.7929 2.0690 0.3149
H 2.8733 -1.0316 1.5217
H 2.2855 0.5858 1.0858
H 3.6569 2.1453 -1.4296
C 1.2237 3.1310 0.8497
83
Frame 14
C -3.5423 0.0488 -2.0660
C -2.1110 -0.3066 -1.6000
N -1.1497 0.8017 -1.8168
C -1.6304 2.0724 -1.2165
C -3.0336 2.4823 -1.6930
C -4.0306 1.3486 -1.4009
H -2.1405 -0.4598 -0.5298
H -3.5724 0.1767 -3.1412
H -4.2055 -0.7735 -1.8145
H -1.6497 1.9333 -0.1439
H -0.9022 2.8388 -1.4290
H -3.3276 3.3914 -1.1785
H -3.0267 2.6968 -2.7564
H -4.1006 1.2016 -0.3270
H -5.0210 1.6050 -1.7618
C -0.6691 0.9688 -3.2067
H 0.1411 1.6828 -3.1782
H -1.4487 1.3808 -3.8454
C -1.6041 -1.6026 -2.2567
C -0.2045 -0.3510 -3.8473
C -1.3337 -1.3829 -3.7499
H -2.2200 -1.0348 -4.2651
H -1.0306 -2.3157 -4.2153
H 0.0120 -0.1407 -4.8909
C -0.3299 -2.1601 -1.5971
H -0.1588 -3.1594 -2.0038
H -0.4703 -2.2461 -0.5298
N 0.8839 -1.3285 -1.8163
C 1.0710 -0.9667 -3.2476
H 1.2565 -1.8872 -3.8106
C 2.0707 -2.0692 -1.3102
H 2.1711 -3.0106 -1.8543
H 1.8921 -2.3028 -0.2689
C 2.3102 -0.0767 -3.4005
H 2.1892 0.8151 -2.8014
H 2.4124 0.2099 -4.4429
C 3.3579 -1.2505 -1.4622
H 3.2836 -0.3589 -0.8573
H 4.1970 -1.8420 -1.1090
C 3.5629 -0.8310 -2.9254
H 4.4380 -0.1973 -3.0117
H 3.7227 -1.7085 -3.5465
H -2.3774 -2.3548 -2.1261
Li 0.5245 0.4438 -0.6026
C 1.7213 2.3254 -0.3871
H 1.2991 2.8457 -1.2633
C 3.2598 2.5577 -0.4936
H 3.5384 3.6167 -0.4688
H 1.6051 2.6986 1.7801
H 1.5408 4.1811 0.8515
H 0.1382 3.1249 0.9331
O -0.2258 -0.3167 1.1371
C 0.1204 -0.3573 2.3294
O -0.7418 -0.5171 3.3509
C -2.1991 -0.6964 3.2558
C -2.5958 -0.8881 4.7198
H -2.3052 -0.0188 5.2950
H -3.6669 -1.0271 4.8000
H 1.3496 -1.1721 4.6902
C -2.5216 -1.9458 2.4339
H -2.2144 -1.8159 1.4088
H -2.0058 -2.8029 2.8507
H -3.5883 -2.1324 2.4665
C -2.8353 0.5649 2.6740
H -2.5474 1.4271 3.2632
H -2.5118 0.7162 1.6573
H -3.9146 0.4703 2.6959
N 1.3643 -0.2728 2.7741
C 1.7255 -0.2836 4.2075
H 1.3043 0.5835 4.6969
H -2.0925 -1.7554 5.1271
C 2.5317 -0.0672 1.8898
C 3.5707 0.5191 2.8559
H 3.3964 1.5802 2.9729
C 3.2676 -0.2200 4.1761
H 3.6661 0.2835 5.0460
H 3.6764 -1.2227 4.1342
H 4.5825 0.3641 2.5088
H 3.7960 2.0829 0.3287
H 2.8673 -1.0247 1.5103
H 2.2751 0.5922 1.0758
H 3.6628 2.1438 -1.4166
C 1.2241 3.1321 0.8554
83
Frame 15
C -3.5397 0.0503 -2.0652
C -2.1091 -0.3071 -1.5985
N -1.1466 0.8005 -1.8142
C -1.6264 2.0711 -1.2128
C -3.0286 2.4830 -1.6901
C -4.0272 1.3502 -1.3998
H -2.1391 -0.4609 -0.5285
H -3.5691 0.1787 -3.1403
H -4.2040 -0.7715 -1.8145
H -1.6466 1.9305 -0.1404
H -0.8972 2.8370 -1.4237
H -3.3221 3.3920 -1.1750
H -3.0206 2.6985 -2.7532
H -4.0984 1.2026 -0.3260
H -5.0169 1.6079 -1.7615
C -0.6669 0.9683 -3.2043
H 0.1436 1.6820 -3.1762
H -1.4467 1.3810 -3.8423
C -1.6034 -1.6033 -2.2560
C -0.2033 -0.3513 -3.8458
C -1.3330 -1.3827 -3.7491
H -2.2191 -1.0340 -4.2641
H -1.0303 -2.3154 -4.2151
H 0.0133 -0.1405 -4.8892
C -0.3296 -2.1624 -1.5971
H -0.1592 -3.1614 -2.0050
H -0.4700 -2.2495 -0.5299
N 0.8849 -1.3314 -1.8156
C 1.0719 -0.9679 -3.2465
H 1.2573 -1.8878 -3.8105
C 2.0716 -2.0735 -1.3112
H 2.1714 -3.0140 -1.8570
H 1.8935 -2.3090 -0.2702
C 2.3112 -0.0778 -3.3984
H 2.1907 0.8130 -2.7978
H 2.4130 0.2105 -4.4404
C 3.3591 -1.2550 -1.4624
H 3.2853 -0.3642 -0.8562
H 4.1980 -1.8472 -1.1102
C 3.5638 -0.8333 -2.9250
H 4.4391 -0.1998 -3.0105
H 3.7231 -1.7098 -3.5476
H -2.3774 -2.3548 -2.1257
Li 0.5248 0.4393 -0.5983
C 1.7255 2.3210 -0.3765
H 1.2999 2.8333 -1.2557
C 3.2627 2.5625 -0.4846
H 3.5340 3.6238 -0.4742
H 1.6267 2.7190 1.7863
H 1.5208 4.1882 0.8410
H 0.1410 3.1046 0.9528
O -0.2348 -0.3149 1.1351
C 0.1155 -0.3555 2.3264
O -0.7439 -0.5177 3.3500
C -2.2013 -0.6976 3.2575
C -2.5954 -0.8896 4.7222
H -2.3045 -0.0202 5.2970
H -3.6664 -1.0293 4.8041
H 1.3550 -1.1747 4.6802
C -2.5247 -1.9472 2.4362
H -2.2195 -1.8171 1.4105
H -2.0078 -2.8040 2.8519
H -3.5913 -2.1343 2.4707
C -2.8394 0.5633 2.6770
H -2.5504 1.4257 3.2654
H -2.5183 0.7145 1.6595
H -3.9185 0.4683 2.7015
N 1.3604 -0.2692 2.7670
C 1.7268 -0.2836 4.1990
H 1.3052 0.5807 4.6928
H -2.0910 -1.7566 5.1286
C 2.5253 -0.0608 1.8796
C 3.5653 0.5272 2.8432
H 3.3875 1.5873 2.9632
C 3.2689 -0.2160 4.1624
H 3.6690 0.2860 5.0324
H 3.6800 -1.2176 4.1162
H 4.5764 0.3767 2.4924
H 3.8004 2.1031 0.3453
H 2.8620 -1.0179 1.4998
H 2.2657 0.5987 1.0663
H 3.6702 2.1383 -1.4010
C 1.2256 3.1332 0.8615
83
Frame 16
C -3.5375 0.0514 -2.0646
C -2.1075 -0.3076 -1.5972
N -1.1439 0.7994 -1.8118
C -1.6231 2.0701 -1.2097
C -3.0245 2.4836 -1.6879
C -4.0243 1.3515 -1.3991
H -2.1381 -0.4619 -0.5273
H -3.5662 0.1802 -3.1397
H -4.2028 -0.7699 -1.8146
H -1.6443 1.9284 -0.1375
H -0.8931 2.8356 -1.4193
H -3.3175 3.3925 -1.1726
H -3.0154 2.6997 -2.7510
H -4.0966 1.2036 -0.3254
H -5.0135 1.6103 -1.7615
C -0.6652 0.9678 -3.2022
H 0.1455 1.6813 -3.1746
H -1.4453 1.3810 -3.8394
C -1.6029 -1.6039 -2.2555
C -0.2024 -0.3517 -3.8445
C -1.3326 -1.3826 -3.7484
H -2.2185 -1.0333 -4.2633
H -1.0302 -2.3152 -4.2150
H 0.0143 -0.1403 -4.8878
C -0.3294 -2.1647 -1.5973
H -0.1596 -3.1633 -2.0065
H -0.4698 -2.2532 -0.5302
N 0.8855 -1.3340 -1.8149
C 1.0725 -0.9689 -3.2455
H 1.2579 -1.8883 -3.8104
C 2.0724 -2.0770 -1.3120
H 2.1718 -3.0167 -1.8592
H 1.8948 -2.3141 -0.2713
C 2.3118 -0.0789 -3.3968
H 2.1919 0.8114 -2.7951
H 2.4133 0.2107 -4.4384
C 3.3599 -1.2584 -1.4626
H 3.2863 -0.3683 -0.8554
H 4.1989 -1.8511 -1.1112
C 3.5644 -0.8350 -2.9247
H 4.4399 -0.2016 -3.0097
H 3.7234 -1.7108 -3.5485
H -2.3775 -2.3548 -2.1255
Li 0.5249 0.4336 -0.5930
C 1.7307 2.3143 -0.3644
H 1.3002 2.8160 -1.2474
C 3.2659 2.5673 -0.4760
H 3.5278 3.6308 -0.4857
H 1.6545 2.7460 1.7920
H 1.4958 4.1959 0.8255
H 0.1460 3.0796 0.9774
O -0.2433 -0.3135 1.1334
C 0.1110 -0.3537 2.3238
O -0.7456 -0.5183 3.3494
C -2.2031 -0.6987 3.2589
C -2.5954 -0.8909 4.7240
H -2.3043 -0.0214 5.2985
H -3.6662 -1.0311 4.8071
H 1.3600 -1.1774 4.6704
C -2.5273 -1.9483 2.4379
H -2.2236 -1.8182 1.4119
H -2.0095 -2.8050 2.8530
H -3.5938 -2.1358 2.4741
C -2.8425 0.5621 2.6793
H -2.5526 1.4246 3.2671
H -2.5236 0.7132 1.6612
H -3.9216 0.4669 2.7060
N 1.3570 -0.2653 2.7603
C 1.7282 -0.2838 4.1909
H 1.3063 0.5778 4.6892
H -2.0901 -1.7576 5.1298
C 2.5198 -0.0547 1.8702
C 3.5602 0.5351 2.8318
H 3.3786 1.5940 2.9550
C 3.2701 -0.2125 4.1496
H 3.6718 0.2876 5.0200
H 3.6834 -1.2130 4.0989
H 4.5709 0.3893 2.4776
H 3.8058 2.1286 0.3636
H 2.8576 -1.0116 1.4906
H 2.2576 0.6049 1.0574
H 3.6788 2.1290 -1.3834
C 1.2279 3.1344 0.8676
83
Frame 17
C -3.5357 0.0523 -2.0642
C -2.1063 -0.3081 -1.5961
N -1.1415 0.7985 -1.8097
C -1.6204 2.0693 -1.2072
C -3.0212 2.4840 -1.6865
C -4.0220 1.3526 -1.3986
H -2.1374 -0.4629 -0.5264
H -3.5638 0.1814 -3.1392
H -4.2017 -0.7685 -1.8148
H -1.6424 1.9271 -0.1352
H -0.8899 2.8346 -1.4160
H -3.3139 3.3930 -1.1711
H -3.0111 2.7005 -2.7494
H -4.0951 1.2044 -0.3251
H -5.0107 1.6122 -1.7617
C -0.6639 0.9673 -3.2004
H 0.1470 1.6807 -3.1735
H -1.4444 1.3809 -3.8368
C -1.6026 -1.6045 -2.2551
C -0.2019 -0.3520 -3.8434
C -1.3323 -1.3826 -3.7479
H -2.2181 -1.0327 -4.2626
H -1.0302 -2.3150 -4.2150
H 0.0150 -0.1402 -4.8866
C -0.3292 -2.1669 -1.5977
H -0.1599 -3.1649 -2.0083
H -0.4698 -2.2567 -0.5307
N 0.8860 -1.3362 -1.8143
C 1.0728 -0.9698 -3.2446
H 1.2582 -1.8888 -3.8102
C 2.0730 -2.0799 -1.3127
H 2.1723 -3.0189 -1.8610
H 1.8959 -2.3182 -0.2721
C 2.3122 -0.0797 -3.3956
H 2.1927 0.8102 -2.7933
H 2.4132 0.2107 -4.4370
C 3.3605 -1.2609 -1.4628
H 3.2868 -0.3714 -0.8549
H 4.1995 -1.8538 -1.1120
C 3.5648 -0.8364 -2.9246
H 4.4403 -0.2029 -3.0093
H 3.7235 -1.7116 -3.5492
H -2.3777 -2.3548 -2.1253
Li 0.5246 0.4267 -0.5868
C 1.7366 2.3057 -0.3508
H 1.2999 2.7940 -1.2383
C 3.2694 2.5719 -0.4682
H 3.5204 3.6375 -0.5031
H 1.6858 2.7786 1.7969
H 1.4669 4.2035 0.8059
H 0.1530 3.0516 1.0051
O -0.2515 -0.3123 1.1320
C 0.1071 -0.3518 2.3214
O -0.7469 -0.5188 3.3489
C -2.2046 -0.6995 3.2599
C -2.5956 -0.8919 4.7253
H -2.3044 -0.0223 5.2996
H -3.6663 -1.0325 4.8091
H 1.3645 -1.1801 4.6610
C -2.5294 -1.9492 2.4392
H -2.2267 -1.8190 1.4129
H -2.0109 -2.8058 2.8538
H -3.5957 -2.1370 2.4765
C -2.8449 0.5611 2.6811
H -2.5541 1.4238 3.2682
H -2.5275 0.7120 1.6624
H -3.9240 0.4659 2.7095
N 1.3539 -0.2614 2.7541
C 1.7295 -0.2840 4.1836
H 1.3074 0.5749 4.6861
H -2.0897 -1.7585 5.1307
C 2.5151 -0.0490 1.8618
C 3.5556 0.5425 2.8218
H 3.3702 1.6004 2.9481
C 3.2712 -0.2095 4.1380
H 3.6744 0.2884 5.0090
H 3.6864 -1.2090 4.0826
H 4.5659 0.4015 2.4647
H 3.8122 2.1591 0.3825
H 2.8540 -1.0057 1.4827
H 2.2508 0.6110 1.0493
H 3.6882 2.1162 -1.3642
C 1.2307 3.1359 0.8736
83
Frame 18
C -3.5343 0.0530 -2.0640
C -2.1053 -0.3085 -1.5952
N -1.1396 0.7977 -1.8079
C -1.6183 2.0687 -1.2054
C -3.0186 2.4843 -1.6855
C -4.0201 1.3534 -1.3984
H -2.1370 -0.4637 -0.5256
H -3.5619 0.1824 -3.1390
H -4.2009 -0.7675 -1.8150
H -1.6409 1.9264 -0.1334
H -0.8874 2.8339 -1.4137
H -3.3110 3.3934 -1.1702
H -3.0078 2.7009 -2.7484
H -4.0939 1.2051 -0.3249
H -5.0085 1.6136 -1.7619
C -0.6629 0.9668 -3.1989
H 0.1480 1.6802 -3.1728
H -1.4439 1.3806 -3.8346
C -1.6024 -1.6050 -2.2548
C -0.2015 -0.3523 -3.8425
C -1.3322 -1.3826 -3.7476
H -2.2179 -1.0322 -4.2621
H -1.0304 -2.3148 -4.2151
H 0.0156 -0.1401 -4.8856
C -0.3292 -2.1688 -1.5982
H -0.1602 -3.1662 -2.0102
H -0.4698 -2.2603 -0.5313
N 0.8862 -1.3381 -1.8137
C 1.0730 -0.9705 -3.2439
H 1.2584 -1.8892 -3.8099
C 2.0736 -2.0821 -1.3132
H 2.1727 -3.0206 -1.8624
H 1.8971 -2.3214 -0.2727
C 2.3124 -0.0804 -3.3949
H 2.1934 0.8094 -2.7923
H 2.4130 0.2104 -4.4362
C 3.3610 -1.2628 -1.4631
H 3.2871 -0.3737 -0.8546
H 4.2001 -1.8557 -1.1126
C 3.5651 -0.8374 -2.9246
H 4.4406 -0.2039 -3.0090
H 3.7237 -1.7121 -3.5499
H -2.3780 -2.3549 -2.1253
Li 0.5238 0.4188 -0.5798
C 1.7431 2.2954 -0.3360
H 1.2992 2.7681 -1.2284
C 3.2730 2.5762 -0.4611
H 3.5112 3.6433 -0.5250
H 1.7171 2.8147 1.8009
H 1.4365 4.2097 0.7840
H 0.1618 3.0242 1.0339
O -0.2594 -0.3113 1.1308
C 0.1035 -0.3498 2.3193
O -0.7479 -0.5193 3.3486
C -2.2057 -0.7002 3.2606
C -2.5960 -0.8927 4.7262
H -2.3047 -0.0231 5.3005
H -3.6666 -1.0337 4.8105
H 1.3685 -1.1826 4.6519
C -2.5309 -1.9500 2.4402
H -2.2290 -1.8198 1.4137
H -2.0121 -2.8065 2.8544
H -3.5973 -2.1378 2.4783
C -2.8467 0.5604 2.6823
H -2.5551 1.4231 3.2691
H -2.5305 0.7111 1.6633
H -3.9257 0.4652 2.7122
N 1.3511 -0.2572 2.7483
C 1.7307 -0.2842 4.1766
H 1.3085 0.5722 4.6834
H -2.0896 -1.7592 5.1314
C 2.5112 -0.0436 1.8543
C 3.5514 0.5495 2.8129
H 3.3622 1.6062 2.9423
C 3.2723 -0.2070 4.1274
H 3.6769 0.2885 4.9992
H 3.6889 -1.2056 4.0672
H 4.5615 0.4133 2.4532
H 3.8194 2.1931 0.4010
H 2.8511 -1.0005 1.4762
H 2.2453 0.6167 1.0419
H 3.6979 2.1011 -1.3442
C 1.2338 3.1376 0.8794
83
Frame 19
C -3.5332 0.0536 -2.0639
C -2.1046 -0.3088 -1.5945
N -1.1379 0.7971 -1.8063
C -1.6166 2.0684 -1.2041
C -3.0165 2.4845 -1.6849
C -4.0187 1.3540 -1.3982
H -2.1368 -0.4645 -0.5251
H -3.5604 0.1832 -3.1388
H -4.2003 -0.7666 -1.8154
H -1.6396 1.9262 -0.1321
H -0.8854 2.8335 -1.4122
H -3.3089 3.3938 -1.1697
H -3.0053 2.7012 -2.7478
H -4.0928 1.2056 -0.3248
H -5.0069 1.6148 -1.7620
C -0.6623 0.9663 -3.1977
H 0.1486 1.6799 -3.1724
H -1.4437 1.3802 -3.8327
C -1.6023 -1.6054 -2.2546
C -0.2012 -0.3525 -3.8417
C -1.3322 -1.3826 -3.7473
H -2.2177 -1.0318 -4.2618
H -1.0305 -2.3147 -4.2152
H 0.0160 -0.1400 -4.8848
C -0.3291 -2.1706 -1.5988
H -0.1603 -3.1674 -2.0123
H -0.4699 -2.2637 -0.5319
N 0.8864 -1.3396 -1.8132
C 1.0731 -0.9711 -3.2432
H 1.2585 -1.8895 -3.8095
C 2.0742 -2.0838 -1.3135
H 2.1731 -3.0220 -1.8633
H 1.8982 -2.3238 -0.2731
C 2.3126 -0.0810 -3.3944
H 2.1941 0.8089 -2.7920
H 2.4128 0.2097 -4.4358
C 3.3614 -1.2642 -1.4634
H 3.2874 -0.3754 -0.8543
H 4.2006 -1.8572 -1.1133
C 3.5653 -0.8381 -2.9247
H 4.4408 -0.2044 -3.0089
H 3.7239 -1.7125 -3.5505
H -2.3783 -2.3549 -2.1253
Li 0.5224 0.4096 -0.5723
C 1.7502 2.2837 -0.3199
H 1.2981 2.7387 -1.2175
C 3.2766 2.5804 -0.4549
H 3.5010 3.6482 -0.5496
H 1.7467 2.8532 1.8043
H 1.4061 4.2146 0.7609
H 0.1718 2.9982 1.0625
O -0.2671 -0.3103 1.1299
C 0.1003 -0.3478 2.3174
O -0.7487 -0.5197 3.3484
C -2.2065 -0.7008 3.2611
C -2.5963 -0.8934 4.7268
H -2.3051 -0.0237 5.3010
H -3.6669 -1.0345 4.8113
H 1.3720 -1.1849 4.6431
C -2.5322 -1.9507 2.4409
H -2.2306 -1.8205 1.4143
H -2.0132 -2.8071 2.8550
H -3.5985 -2.1385 2.4795
C -2.8479 0.5598 2.6832
H -2.5556 1.4225 3.2697
H -2.5328 0.7103 1.6639
H -3.9269 0.4648 2.7142
N 1.3486 -0.2530 2.7428
C 1.7318 -0.2844 4.1701
H 1.3097 0.5697 4.6809
H -2.0898 -1.7598 5.1319
C 2.5080 -0.0384 1.8474
C 3.5478 0.5561 2.8050
H 3.3550 1.6118 2.9375
C 3.2733 -0.2048 4.1175
H 3.6791 0.2878 4.9903
H 3.6911 -1.2027 4.0526
H 4.5576 0.4244 2.4430
H 3.8278 2.2292 0.4176
H 2.8488 -0.9957 1.4707
H 2.2408 0.6221 1.0348
H 3.7076 2.0858 -1.3241
C 1.2370 3.1395 0.8850
83
Frame 20
C -3.5324 0.0540 -2.0639
C -2.1041 -0.3091 -1.5939
N -1.1366 0.7966 -1.8050
C -1.6153 2.0683 -1.2032
C -3.0150 2.4847 -1.6846
C -4.0176 1.3546 -1.3981
H -2.1369 -0.4650 -0.5246
H -3.5592 0.1839 -3.1388
H -4.1998 -0.7660 -1.8157
H -1.6384 1.9265 -0.1312
H -0.8839 2.8333 -1.4114
H -3.3072 3.3941 -1.1696
H -3.0034 2.7013 -2.7475
H -4.0919 1.2060 -0.3247
H -5.0056 1.6157 -1.7621
C -0.6620 0.9660 -3.1967
H 0.1488 1.6797 -3.1723
H -1.4439 1.3797 -3.8312
C -1.6022 -1.6058 -2.2545
C -0.2010 -0.3527 -3.8412
C -1.3322 -1.3826 -3.7472
H -2.2176 -1.0316 -4.2616
H -1.0307 -2.3147 -4.2153
H 0.0163 -0.1400 -4.8841
C -0.3292 -2.1721 -1.5993
H -0.1604 -3.1683 -2.0144
H -0.4700 -2.2669 -0.5326
N 0.8865 -1.3408 -1.8126
C 1.0732 -0.9714 -3.2426
H 1.2584 -1.8898 -3.8091
C 2.0747 -2.0851 -1.3136
H 2.1734 -3.0230 -1.8639
H 1.8993 -2.3255 -0.2732
C 2.3127 -0.0816 -3.3943
H 2.1947 0.8088 -2.7924
H 2.4125 0.2088 -4.4358
C 3.3618 -1.2652 -1.4636
H 3.2878 -0.3768 -0.8541
H 4.2011 -1.8584 -1.1140
C 3.5656 -0.8386 -2.9249
H 4.4409 -0.2047 -3.0089
H 3.7243 -1.7127 -3.5510
H -2.3786 -2.3550 -2.1253
Li 0.5204 0.3988 -0.5644
C 1.7580 2.2707 -0.3023
H 1.2969 2.7058 -1.2053
C 3.2803 2.5845 -0.4497
H 3.4891 3.6520 -0.5764
H 1.7727 2.8927 1.8072
H 1.3770 4.2173 0.7370
H 0.1821 2.9754 1.0895
O -0.2746 -0.3094 1.1292
C 0.0974 -0.3458 2.3157
O -0.7493 -0.5203 3.3483
C -2.2071 -0.7014 3.2615
C -2.5967 -0.8939 4.7271
H -2.3056 -0.0243 5.3013
H -3.6673 -1.0351 4.8117
H 1.3749 -1.1870 4.6347
C -2.5331 -1.9512 2.4413
H -2.2316 -1.8211 1.4147
H -2.0141 -2.8077 2.8554
H -3.5994 -2.1389 2.4801
C -2.8488 0.5594 2.6839
H -2.5559 1.4220 3.2701
H -2.5344 0.7097 1.6643
H -3.9277 0.4645 2.7158
N 1.3462 -0.2487 2.7375
C 1.7328 -0.2845 4.1639
H 1.3109 0.5673 4.6785
H -2.0901 -1.7603 5.1322
C 2.5053 -0.0332 1.8411
C 3.5446 0.5623 2.7979
H 3.3488 1.6170 2.9335
C 3.2741 -0.2031 4.1084
H 3.6812 0.2865 4.9824
H 3.6927 -1.2003 4.0388
H 4.5543 0.4344 2.4338
H 3.8375 2.2670 0.4319
H 2.8468 -0.9908 1.4656
H 2.2371 0.6280 1.0285
H 3.7170 2.0704 -1.3048
C 1.2400 3.1417 0.8903
83
Frame 21
C -3.5318 0.0544 -2.0639
C -2.1038 -0.3092 -1.5935
N -1.1354 0.7962 -1.8038
C -1.6142 2.0684 -1.2026
C -3.0139 2.4849 -1.6845
C -4.0168 1.3549 -1.3980
H -2.1371 -0.4655 -0.5243
H -3.5584 0.1844 -3.1388
H -4.1995 -0.7655 -1.8160
H -1.6374 1.9271 -0.1305
H -0.8828 2.8333 -1.4111
H -3.3060 3.3944 -1.1696
H -3.0020 2.7013 -2.7474
H -4.0912 1.2064 -0.3247
H -5.0047 1.6163 -1.7620
C -0.6618 0.9656 -3.1961
H 0.1487 1.6797 -3.1725
H -1.4444 1.3791 -3.8299
C -1.6022 -1.6061 -2.2544
C -0.2010 -0.3529 -3.8407
C -1.3322 -1.3827 -3.7470
H -2.2176 -1.0314 -4.2614
H -1.0308 -2.3146 -4.2154
H 0.0165 -0.1400 -4.8836
C -0.3292 -2.1735 -1.5999
H -0.1604 -3.1690 -2.0163
H -0.4702 -2.2700 -0.5333
N 0.8866 -1.3417 -1.8121
C 1.0732 -0.9717 -3.2420
H 1.2583 -1.8900 -3.8086
C 2.0751 -2.0860 -1.3136
H 2.1735 -3.0238 -1.8640
H 1.9003 -2.3266 -0.2731
C 2.3129 -0.0821 -3.3944
H 2.1953 0.8089 -2.7933
H 2.4124 0.2075 -4.4362
C 3.3623 -1.2661 -1.4639
H 3.2886 -0.3781 -0.8538
H 4.2015 -1.8596 -1.1148
C 3.5659 -0.8389 -2.9250
H 4.4410 -0.2047 -3.0088
H 3.7248 -1.7126 -3.5515
H -2.3789 -2.3550 -2.1253
Li 0.5173 0.3863 -0.5564
C 1.7666 2.2567 -0.2833
H 1.2957 2.6694 -1.1918
C 3.2840 2.5884 -0.4454
H 3.4760 3.6548 -0.6038
H 1.7942 2.9324 1.8104
H 1.3500 4.2187 0.7128
H 0.1921 2.9563 1.1135
O -0.2819 -0.3083 1.1285
C 0.0948 -0.3438 2.3141
O -0.7497 -0.5208 3.3482
C -2.2075 -0.7018 3.2617
C -2.5971 -0.8944 4.7273
H -2.3060 -0.0247 5.3015
H -3.6677 -1.0356 4.8118
H 1.3774 -1.1889 4.6266
C -2.5337 -1.9517 2.4416
H -2.2322 -1.8217 1.4151
H -2.0150 -2.8082 2.8559
H -3.6001 -2.1391 2.4804
C -2.8493 0.5590 2.6843
H -2.5561 1.4216 3.2704
H -2.5355 0.7093 1.6647
H -3.9283 0.4642 2.7169
N 1.3441 -0.2446 2.7325
C 1.7336 -0.2846 4.1579
H 1.3120 0.5652 4.6762
H -2.0904 -1.7607 5.1324
C 2.5029 -0.0276 1.8353
C 3.5420 0.5681 2.7916
H 3.3442 1.6220 2.9301
C 3.2748 -0.2016 4.1000
H 3.6829 0.2848 4.9752
H 3.6940 -1.1983 4.0257
H 4.5513 0.4432 2.4255
H 3.8488 2.3048 0.4428
H 2.8451 -0.9853 1.4602
H 2.2336 0.6350 1.0230
H 3.7255 2.0566 -1.2871
C 1.2427 3.1442 0.8952
83
Frame 22
C -3.5313 0.0548 -2.0640
C -2.1036 -0.3093 -1.5931
N -1.1344 0.7960 -1.8029
C -1.6134 2.0685 -1.2022
C -3.0130 2.4850 -1.6845
C -4.0161 1.3552 -1.3980
H -2.1373 -0.4657 -0.5240
H -3.5577 0.1849 -3.1389
H -4.1991 -0.7651 -1.8163
H -1.6365 1.9279 -0.1301
H -0.8819 2.8335 -1.4112
H -3.3052 3.3946 -1.1698
H -3.0011 2.7013 -2.7474
H -4.0905 1.2066 -0.3247
H -5.0040 1.6168 -1.7620
C -0.6619 0.9654 -3.1956
H 0.1484 1.6798 -3.1729
H -1.4451 1.3785 -3.8287
C -1.6022 -1.6063 -2.2544
C -0.2010 -0.3529 -3.8404
C -1.3323 -1.3827 -3.7469
H -2.2176 -1.0313 -4.2613
H -1.0309 -2.3146 -4.2154
H 0.0167 -0.1399 -4.8832
C -0.3292 -2.1746 -1.6004
H -0.1603 -3.1695 -2.0181
H -0.4703 -2.2727 -0.5340
N 0.8866 -1.3423 -1.8116
C 1.0732 -0.9718 -3.2416
H 1.2582 -1.8901 -3.8081
C 2.0755 -2.0866 -1.3135
H 2.1735 -3.0245 -1.8638
H 1.9012 -2.3270 -0.2729
C 2.3131 -0.0825 -3.3947
H 2.1960 0.8093 -2.7948
H 2.4123 0.2060 -4.4368
C 3.3628 -1.2668 -1.4642
H 3.2897 -0.3793 -0.8534
H 4.2019 -1.8610 -1.1158
C 3.5662 -0.8390 -2.9251
H 4.4410 -0.2045 -3.0086
H 3.7255 -1.7124 -3.5520
H -2.3791 -2.3549 -2.1253
Li 0.5128 0.3720 -0.5485
C 1.7760 2.2421 -0.2628
H 1.2945 2.6303 -1.1769
C 3.2877 2.5921 -0.4420
H 3.4620 3.6567 -0.6304
H 1.8106 2.9715 1.8138
H 1.3255 4.2184 0.6887
H 0.2011 2.9408 1.1340
O -0.2887 -0.3072 1.1280
C 0.0926 -0.3418 2.3126
O -0.7499 -0.5214 3.3480
C -2.2077 -0.7022 3.2618
C -2.5975 -0.8947 4.7273
H -2.3064 -0.0250 5.3016
H -3.6680 -1.0359 4.8117
H 1.3795 -1.1907 4.6188
C -2.5342 -1.9520 2.4417
H -2.2323 -1.8222 1.4153
H -2.0159 -2.8087 2.8562
H -3.6007 -2.1391 2.4803
C -2.8497 0.5587 2.6846
H -2.5563 1.4213 3.2707
H -2.5363 0.7090 1.6649
H -3.9287 0.4639 2.7177
N 1.3422 -0.2408 2.7277
C 1.7342 -0.2847 4.1522
H 1.3129 0.5632 4.6738
H -2.0909 -1.7610 5.1325
C 2.5006 -0.0215 1.8298
C 3.5399 0.5735 2.7858
H 3.3412 1.6268 2.9272
C 3.2752 -0.2004 4.0921
H 3.6843 0.2829 4.9687
H 3.6948 -1.1966 4.0134
H 4.5488 0.4504 2.4179
H 3.8620 2.3412 0.4500
H 2.8432 -0.9790 1.4542
H 2.2302 0.6433 1.0184
H 3.7326 2.0448 -1.2720
C 1.2448 3.1469 0.8997
83
Frame 23
C -3.5309 0.0550 -2.0640
C -2.1034 -0.3093 -1.5928
N -1.1335 0.7958 -1.8021
C -1.6128 2.0688 -1.2020
C -3.0125 2.4851 -1.6846
C -4.0157 1.3554 -1.3979
H -2.1377 -0.4659 -0.5238
H -3.5572 0.1853 -3.1389
H -4.1988 -0.7648 -1.8165
H -1.6358 1.9288 -0.1298
H -0.8813 2.8338 -1.4114
H -3.3046 3.3948 -1.1701
H -3.0006 2.7012 -2.7475
H -4.0900 1.2068 -0.3246
H -5.0035 1.6170 -1.7619
C -0.6620 0.9652 -3.1953
H 0.1478 1.6801 -3.1736
H -1.4460 1.3778 -3.8278
C -1.6022 -1.6064 -2.2543
C -0.2010 -0.3530 -3.8402
C -1.3323 -1.3827 -3.7468
H -2.2176 -1.0314 -4.2612
H -1.0309 -2.3146 -4.2153
H 0.0167 -0.1399 -4.8830
C -0.3291 -2.1755 -1.6009
H -0.1601 -3.1699 -2.0196
H -0.4704 -2.2750 -0.5345
N 0.8866 -1.3427 -1.8112
C 1.0732 -0.9717 -3.2413
H 1.2580 -1.8902 -3.8076
C 2.0759 -2.0869 -1.3132
H 2.1732 -3.0249 -1.8634
H 1.9021 -2.3270 -0.2724
C 2.3133 -0.0829 -3.3952
H 2.1966 0.8100 -2.7967
H 2.4124 0.2043 -4.4377
C 3.3634 -1.2676 -1.4644
H 3.2912 -0.3806 -0.8527
H 4.2023 -1.8626 -1.1170
C 3.5665 -0.8390 -2.9252
H 4.4410 -0.2040 -3.0083
H 3.7264 -1.7120 -3.5525
H -2.3793 -2.3548 -2.1251
Li 0.5070 0.3558 -0.5411
C 1.7863 2.2272 -0.2409
H 1.2939 2.5885 -1.1601
C 3.2915 2.5956 -0.4396
H 3.4473 3.6579 -0.6556
H 1.8217 3.0090 1.8180
H 1.3039 4.2168 0.6650
H 0.2085 2.9286 1.1503
O -0.2948 -0.3059 1.1275
C 0.0906 -0.3400 2.3113
O -0.7500 -0.5221 3.3479
C -2.2077 -0.7025 3.2618
C -2.5978 -0.8949 4.7273
H -2.3068 -0.0252 5.3015
H -3.6684 -1.0361 4.8114
H 1.3811 -1.1922 4.6115
C -2.5345 -1.9523 2.4417
H -2.2322 -1.8226 1.4155
H -2.0166 -2.8091 2.8565
H -3.6011 -2.1390 2.4800
C -2.8499 0.5585 2.6848
H -2.5564 1.4210 3.2709
H -2.5368 0.7088 1.6651
H -3.9289 0.4636 2.7183
N 1.3405 -0.2374 2.7231
C 1.7346 -0.2848 4.1467
H 1.3134 0.5614 4.6712
H -2.0913 -1.7612 5.1327
C 2.4984 -0.0145 1.8246
C 3.5382 0.5782 2.7805
H 3.3402 1.6314 2.9249
C 3.2754 -0.1994 4.0848
H 3.6851 0.2811 4.9627
H 3.6953 -1.1951 4.0023
H 4.5465 0.4557 2.4107
H 3.8770 2.3753 0.4532
H 2.8410 -0.9713 1.4468
H 2.2261 0.6538 1.0147
H 3.7379 2.0351 -1.2600
C 1.2464 3.1496 0.9037
83
Frame 24
C -3.5305 0.0553 -2.0641
C -2.1032 -0.3093 -1.5926
N -1.1327 0.7958 -1.8014
C -1.6123 2.0692 -1.2019
C -3.0122 2.4852 -1.6847
C -4.0154 1.3555 -1.3979
H -2.1380 -0.4659 -0.5236
H -3.5568 0.1856 -3.1389
H -4.1983 -0.7646 -1.8167
H -1.6353 1.9296 -0.1297
H -0.8808 2.8342 -1.4117
H -3.3044 3.3949 -1.1704
H -3.0004 2.7012 -2.7477
H -4.0897 1.2069 -0.3246
H -5.0032 1.6171 -1.7619
C -0.6622 0.9651 -3.1952
H 0.1472 1.6806 -3.1745
H -1.4470 1.3772 -3.8270
C -1.6021 -1.6064 -2.2542
C -0.2011 -0.3530 -3.8402
C -1.3324 -1.3828 -3.7468
H -2.2177 -1.0315 -4.2611
H -1.0310 -2.3147 -4.2152
H 0.0166 -0.1399 -4.8829
C -0.3291 -2.1761 -1.6012
H -0.1598 -3.1701 -2.0207
H -0.4704 -2.2768 -0.5348
N 0.8866 -1.3428 -1.8109
C 1.0731 -0.9716 -3.2410
H 1.2578 -1.8903 -3.8070
C 2.0762 -2.0870 -1.3128
H 2.1728 -3.0252 -1.8627
H 1.9027 -2.3267 -0.2719
C 2.3135 -0.0832 -3.3959
H 2.1971 0.8108 -2.7989
H 2.4127 0.2025 -4.4388
C 3.3641 -1.2684 -1.4646
H 3.2932 -0.3821 -0.8517
H 4.2027 -1.8646 -1.1185
C 3.5667 -0.8389 -2.9252
H 4.4410 -0.2035 -3.0079
H 3.7272 -1.7115 -3.5529
H -2.3793 -2.3547 -2.1250
Li 0.4997 0.3383 -0.5342
C 1.7974 2.2124 -0.2178
H 1.2934 2.5442 -1.1423
C 3.2952 2.5987 -0.4380
H 3.4324 3.6582 -0.6788
H 1.8278 3.0445 1.8227
H 1.2849 4.2142 0.6419
H 0.2142 2.9189 1.1623
O -0.3001 -0.3044 1.1271
C 0.0892 -0.3382 2.3102
O -0.7500 -0.5227 3.3478
C -2.2077 -0.7027 3.2618
C -2.5981 -0.8951 4.7272
H -2.3073 -0.0254 5.3015
H -3.6688 -1.0362 4.8110
H 1.3822 -1.1936 4.6045
C -2.5347 -1.9525 2.4417
H -2.2318 -1.8229 1.4157
H -2.0173 -2.8094 2.8568
H -3.6014 -2.1387 2.4795
C -2.8501 0.5583 2.6849
H -2.5567 1.4207 3.2711
H -2.5371 0.7087 1.6652
H -3.9290 0.4632 2.7186
N 1.3390 -0.2345 2.7188
C 1.7348 -0.2849 4.1414
H 1.3137 0.5598 4.6683
H -2.0918 -1.7614 5.1328
C 2.4959 -0.0066 1.8193
C 3.5368 0.5824 2.7755
H 3.3407 1.6355 2.9231
C 3.2753 -0.1984 4.0782
H 3.6853 0.2798 4.9572
H 3.6955 -1.1939 3.9927
H 4.5445 0.4595 2.4041
H 3.8935 2.4064 0.4528
H 2.8383 -0.9621 1.4375
H 2.2218 0.6661 1.0122
H 3.7411 2.0273 -1.2511
C 1.2473 3.1523 0.9071
83
Frame 25
C -3.5301 0.0555 -2.0640
C -2.1031 -0.3091 -1.5924
N -1.1318 0.7958 -1.8008
C -1.6121 2.0696 -1.2019
C -3.0121 2.4853 -1.6849
C -4.0152 1.3556 -1.3978
H -2.1383 -0.4659 -0.5235
H -3.5564 0.1858 -3.1389
H -4.1978 -0.7645 -1.8167
H -1.6350 1.9304 -0.1296
H -0.8805 2.8347 -1.4119
H -3.3043 3.3951 -1.1706
H -3.0005 2.7012 -2.7479
H -4.0894 1.2070 -0.3245
H -5.0030 1.6170 -1.7619
C -0.6625 0.9650 -3.1952
H 0.1465 1.6811 -3.1756
H -1.4481 1.3765 -3.8262
C -1.6021 -1.6064 -2.2541
C -0.2012 -0.3530 -3.8402
C -1.3324 -1.3828 -3.7467
H -2.2178 -1.0316 -4.2610
H -1.0310 -2.3147 -4.2151
H 0.0165 -0.1400 -4.8830
C -0.3290 -2.1764 -1.6013
H -0.1594 -3.1701 -2.0214
H -0.4704 -2.2781 -0.5350
N 0.8867 -1.3427 -1.8106
C 1.0731 -0.9714 -3.2409
H 1.2576 -1.8903 -3.8065
C 2.0764 -2.0869 -1.3124
H 2.1722 -3.0254 -1.8620
H 1.9033 -2.3261 -0.2713
C 2.3137 -0.0834 -3.3965
H 2.1975 0.8117 -2.8014
H 2.4130 0.2006 -4.4399
C 3.3648 -1.2692 -1.4647
H 3.2955 -0.3836 -0.8506
H 4.2030 -1.8668 -1.1201
C 3.5669 -0.8387 -2.9251
H 4.4409 -0.2028 -3.0074
H 3.7280 -1.7109 -3.5532
H -2.3793 -2.3546 -2.1247
Li 0.4911 0.3198 -0.5280
C 1.8093 2.1983 -0.1940
H 1.2933 2.4975 -1.1229
C 3.2985 2.6013 -0.4371
H 3.4178 3.6579 -0.6996
H 1.8294 3.0773 1.8280
H 1.2687 4.2106 0.6200
H 0.2183 2.9109 1.1701
O -0.3044 -0.3028 1.1268
C 0.0881 -0.3366 2.3094
O -0.7499 -0.5232 3.3478
C -2.2076 -0.7029 3.2618
C -2.5984 -0.8952 4.7270
H -2.3077 -0.0255 5.3014
H -3.6691 -1.0363 4.8105
H 1.3827 -1.1947 4.5980
C -2.5349 -1.9526 2.4417
H -2.2314 -1.8232 1.4158
H -2.0179 -2.8097 2.8571
H -3.6016 -2.1385 2.4790
C -2.8502 0.5581 2.6850
H -2.5569 1.4205 3.2713
H -2.5372 0.7087 1.6654
H -3.9291 0.4629 2.7187
N 1.3380 -0.2321 2.7145
C 1.7348 -0.2851 4.1364
H 1.3135 0.5584 4.6652
H -2.0923 -1.7615 5.1328
C 2.4934 0.0023 1.8137
C 3.5354 0.5859 2.7708
H 3.3421 1.6391 2.9218
C 3.2747 -0.1977 4.0722
H 3.6848 0.2793 4.9520
H 3.6954 -1.1928 3.9850
H 4.5425 0.4620 2.3980
H 3.9108 2.4338 0.4494
H 2.8347 -0.9509 1.4252
H 2.2167 0.6821 1.0100
H 3.7420 2.0209 -1.2452
C 1.2478 3.1546 0.9099
83
Frame 26
C -3.5298 0.0557 -2.0640
C -2.1029 -0.3090 -1.5923
N -1.1308 0.7959 -1.8002
C -1.6119 2.0701 -1.2019
C -3.0122 2.4854 -1.6851
C -4.0151 1.3556 -1.3977
H -2.1385 -0.4658 -0.5233
H -3.5560 0.1860 -3.1388
H -4.1973 -0.7645 -1.8166
H -1.6351 1.9312 -0.1296
H -0.8805 2.8354 -1.4119
H -3.3044 3.3951 -1.1708
H -3.0008 2.7013 -2.7481
H -4.0893 1.2072 -0.3245
H -5.0029 1.6168 -1.7619
C -0.6627 0.9650 -3.1954
H 0.1457 1.6817 -3.1769
H -1.4493 1.3757 -3.8256
C -1.6019 -1.6063 -2.2540
C -0.2013 -0.3530 -3.8404
C -1.3325 -1.3829 -3.7467
H -2.2179 -1.0317 -4.2608
H -1.0311 -2.3148 -4.2151
H 0.0163 -0.1401 -4.8832
C -0.3289 -2.1765 -1.6014
H -0.1589 -3.1699 -2.0216
H -0.4704 -2.2788 -0.5351
N 0.8868 -1.3423 -1.8103
C 1.0731 -0.9712 -3.2409
H 1.2574 -1.8904 -3.8059
C 2.0766 -2.0867 -1.3119
H 2.1715 -3.0254 -1.8612
H 1.9037 -2.3254 -0.2707
C 2.3138 -0.0836 -3.3973
H 2.1978 0.8127 -2.8039
H 2.4135 0.1987 -4.4411
C 3.3656 -1.2700 -1.4647
H 3.2983 -0.3853 -0.8491
H 4.2032 -1.8693 -1.1219
C 3.5670 -0.8384 -2.9248
H 4.4408 -0.2023 -3.0068
H 3.7286 -1.7103 -3.5533
H -2.3792 -2.3544 -2.1244
Li 0.4819 0.3011 -0.5223
C 1.8221 2.1853 -0.1695
H 1.2929 2.4469 -1.1024
C 3.3011 2.6033 -0.4366
H 3.4039 3.6571 -0.7177
H 1.8279 3.1065 1.8331
H 1.2549 4.2064 0.5998
H 0.2212 2.9038 1.1743
O -0.3075 -0.3011 1.1267
C 0.0876 -0.3353 2.3090
O -0.7499 -0.5237 3.3479
C -2.2076 -0.7031 3.2617
C -2.5988 -0.8953 4.7269
H -2.3081 -0.0256 5.3013
H -3.6695 -1.0364 4.8102
H 1.3825 -1.1957 4.5921
C -2.5350 -1.9527 2.4416
H -2.2309 -1.8233 1.4160
H -2.0185 -2.8099 2.8573
H -3.6018 -2.1382 2.4784
C -2.8503 0.5579 2.6850
H -2.5572 1.4204 3.2715
H -2.5372 0.7086 1.6655
H -3.9292 0.4625 2.7187
N 1.3373 -0.2300 2.7103
C 1.7347 -0.2853 4.1320
H 1.3132 0.5572 4.6623
H -2.0927 -1.7616 5.1328
C 2.4908 0.0121 1.8068
C 3.5338 0.5886 2.7662
H 3.3439 1.6421 2.9210
C 3.2737 -0.1972 4.0673
H 3.6838 0.2798 4.9471
H 3.6952 -1.1919 3.9794
H 4.5407 0.4637 2.3929
H 3.9277 2.4572 0.4437
H 2.8306 -0.9383 1.4101
H 2.2111 0.6995 1.0087
H 3.7405 2.0155 -1.2415
C 1.2480 3.1564 0.9119
83
Frame 27
C -3.5294 0.0559 -2.0639
C -2.1027 -0.3089 -1.5920
N -1.1298 0.7960 -1.7997
C -1.6120 2.0705 -1.2019
C -3.0124 2.4855 -1.6853
C -4.0150 1.3556 -1.3977
H -2.1386 -0.4657 -0.5231
H -3.5557 0.1861 -3.1387
H -4.1968 -0.7644 -1.8165
H -1.6353 1.9318 -0.1297
H -0.8807 2.8362 -1.4119
H -3.3045 3.3951 -1.1709
H -3.0012 2.7014 -2.7482
H -4.0892 1.2072 -0.3244
H -5.0029 1.6166 -1.7619
C -0.6630 0.9650 -3.1957
H 0.1450 1.6824 -3.1784
H -1.4505 1.3750 -3.8250
C -1.6019 -1.6063 -2.2539
C -0.2014 -0.3529 -3.8406
C -1.3325 -1.3829 -3.7466
H -2.2180 -1.0318 -4.2608
H -1.0312 -2.3148 -4.2150
H 0.0162 -0.1402 -4.8835
C -0.3288 -2.1765 -1.6013
H -0.1583 -3.1697 -2.0215
H -0.4704 -2.2792 -0.5350
N 0.8869 -1.3417 -1.8102
C 1.0731 -0.9710 -3.2410
H 1.2572 -1.8906 -3.8054
C 2.0768 -2.0865 -1.3115
H 2.1708 -3.0254 -1.8604
H 1.9040 -2.3245 -0.2701
C 2.3140 -0.0838 -3.3980
H 2.1979 0.8137 -2.8064
H 2.4139 0.1971 -4.4421
C 3.3662 -1.2708 -1.4647
H 3.3014 -0.3873 -0.8473
H 4.2033 -1.8720 -1.1239
C 3.5671 -0.8381 -2.9245
H 4.4407 -0.2018 -3.0064
H 3.7288 -1.7098 -3.5531
H -2.3791 -2.3543 -2.1242
Li 0.4726 0.2828 -0.5171
C 1.8353 2.1741 -0.1450
H 1.2912 2.3889 -1.0809
C 3.3027 2.6048 -0.4365
H 3.3922 3.6560 -0.7324
H 1.8246 3.1309 1.8374
H 1.2438 4.2022 0.5827
H 0.2233 2.8972 1.1757
O -0.3096 -0.2992 1.1266
C 0.0875 -0.3345 2.3090
O -0.7502 -0.5241 3.3482
C -2.2075 -0.7032 3.2617
C -2.5990 -0.8954 4.7268
H -2.3084 -0.0257 5.3011
H -3.6698 -1.0364 4.8100
H 1.3816 -1.1965 4.5877
C -2.5351 -1.9527 2.4416
H -2.2303 -1.8234 1.4161
H -2.0189 -2.8100 2.8575
H -3.6020 -2.1380 2.4778
C -2.8504 0.5578 2.6850
H -2.5574 1.4202 3.2716
H -2.5370 0.7086 1.6656
H -3.9293 0.4622 2.7186
N 1.3371 -0.2281 2.7062
C 1.7346 -0.2856 4.1292
H 1.3126 0.5563 4.6603
H -2.0930 -1.7616 5.1328
C 2.4881 0.0230 1.7971
C 3.5318 0.5909 2.7619
H 3.3465 1.6447 2.9216
C 3.2724 -0.1971 4.0640
H 3.6829 0.2813 4.9430
H 3.6948 -1.1914 3.9768
H 4.5390 0.4644 2.3897
H 3.9425 2.4760 0.4373
H 2.8265 -0.9251 1.3932
H 2.2046 0.7206 1.0014
H 3.7376 2.0107 -1.2393
C 1.2482 3.1575 0.9130
83
Frame 28
C -3.5291 0.0560 -2.0638
C -2.1025 -0.3090 -1.5918
N -1.1288 0.7963 -1.7993
C -1.6123 2.0709 -1.2020
C -3.0126 2.4855 -1.6854
C -4.0150 1.3556 -1.3976
H -2.1383 -0.4657 -0.5228
H -3.5554 0.1860 -3.1386
H -4.1963 -0.7643 -1.8163
H -1.6358 1.9321 -0.1298
H -0.8816 2.8372 -1.4123
H -3.3045 3.3952 -1.1709
H -3.0014 2.7016 -2.7483
H -4.0892 1.2073 -0.3244
H -5.0028 1.6165 -1.7619
C -0.6631 0.9651 -3.1961
H 0.1445 1.6830 -3.1803
H -1.4515 1.3744 -3.8246
C -1.6018 -1.6063 -2.2539
C -0.2015 -0.3530 -3.8409
C -1.3326 -1.3828 -3.7466
H -2.2181 -1.0319 -4.2608
H -1.0312 -2.3148 -4.2150
H 0.0160 -0.1402 -4.8837
C -0.3287 -2.1763 -1.6012
H -0.1576 -3.1693 -2.0213
H -0.4702 -2.2790 -0.5347
N 0.8871 -1.3410 -1.8101
C 1.0731 -0.9709 -3.2411
H 1.2572 -1.8907 -3.8051
C 2.0771 -2.0863 -1.3110
H 2.1700 -3.0253 -1.8597
H 1.9047 -2.3231 -0.2694
C 2.3140 -0.0840 -3.3986
H 2.1981 0.8146 -2.8087
H 2.4141 0.1961 -4.4430
C 3.3666 -1.2714 -1.4646
H 3.3045 -0.3901 -0.8439
H 4.2032 -1.8744 -1.1257
C 3.5671 -0.8377 -2.9242
H 4.4408 -0.2016 -3.0065
H 3.7288 -1.7096 -3.5527
H -2.3790 -2.3543 -2.1241
Li 0.4643 0.2667 -0.5127
C 1.8483 2.1661 -0.1222
H 1.2870 2.3206 -1.0588
C 3.3035 2.6056 -0.4366
H 3.3821 3.6549 -0.7427
H 1.8220 3.1475 1.8399
H 1.2362 4.1980 0.5684
H 0.2249 2.8912 1.1757
O -0.3110 -0.2974 1.1262
C 0.0885 -0.3341 2.3096
O -0.7510 -0.5245 3.3487
C -2.2071 -0.7032 3.2616
C -2.5993 -0.8954 4.7266
H -2.3084 -0.0257 5.3009
H -3.6700 -1.0364 4.8099
H 1.3806 -1.1972 4.5859
C -2.5352 -1.9527 2.4416
H -2.2296 -1.8234 1.4164
H -2.0191 -2.8100 2.8577
H -3.6021 -2.1379 2.4774
C -2.8505 0.5576 2.6851
H -2.5574 1.4200 3.2716
H -2.5367 0.7083 1.6658
H -3.9294 0.4621 2.7185
N 1.3368 -0.2270 2.7034
C 1.7346 -0.2861 4.1284
H 1.3121 0.5554 4.6597
H -2.0930 -1.7615 5.1327
C 2.4850 0.0356 1.7811
C 3.5295 0.5924 2.7586
H 3.3506 1.6463 2.9253
C 3.2713 -0.1973 4.0630
H 3.6820 0.2820 4.9417
H 3.6945 -1.1913 3.9763
H 4.5376 0.4640 2.3888
H 3.9519 2.4884 0.4327
H 2.8238 -0.9162 1.3858
H 2.1986 0.7389 0.9880
H 3.7345 2.0066 -1.2379
C 1.2481 3.1578 0.9134
83
Frame 29
C -3.5289 0.0562 -2.0638
C -2.1025 -0.3092 -1.5915
N -1.1279 0.7966 -1.7991
C -1.6126 2.0710 -1.2020
C -3.0127 2.4856 -1.6854
C -4.0149 1.3556 -1.3976
H -2.1378 -0.4656 -0.5226
H -3.5554 0.1859 -3.1386
H -4.1959 -0.7642 -1.8160
H -1.6363 1.9320 -0.1299
H -0.8829 2.8384 -1.4131
H -3.3046 3.3952 -1.1709
H -3.0014 2.7017 -2.7483
H -4.0891 1.2072 -0.3244
H -5.0027 1.6166 -1.7620
C -0.6633 0.9650 -3.1963
H 0.1442 1.6834 -3.1820
H -1.4520 1.3743 -3.8243
C -1.6017 -1.6063 -2.2539
C -0.2015 -0.3530 -3.8410
C -1.3326 -1.3828 -3.7466
H -2.2181 -1.0320 -4.2609
H -1.0312 -2.3147 -4.2149
H 0.0159 -0.1401 -4.8839
C -0.3288 -2.1762 -1.6010
H -0.1570 -3.1690 -2.0212
H -0.4698 -2.2785 -0.5345
N 0.8873 -1.3403 -1.8101
C 1.0730 -0.9710 -3.2412
H 1.2573 -1.8907 -3.8051
C 2.0773 -2.0862 -1.3107
H 2.1693 -3.0251 -1.8596
H 1.9058 -2.3213 -0.2687
C 2.3141 -0.0843 -3.3991
H 2.1982 0.8152 -2.8105
H 2.4141 0.1960 -4.4434
C 3.3666 -1.2716 -1.4646
H 3.3070 -0.3935 -0.8393
H 4.2029 -1.8755 -1.1265
C 3.5671 -0.8375 -2.9240
H 4.4410 -0.2017 -3.0069
H 3.7286 -1.7093 -3.5526
H -2.3790 -2.3541 -2.1240
Li 0.4590 0.2560 -0.5097
C 1.8578 2.1619 -0.1062
H 1.2830 2.2609 -1.0400
C 3.3040 2.6058 -0.4370
H 3.3731 3.6536 -0.7480
H 1.8216 3.1542 1.8397
H 1.2330 4.1935 0.5576
H 0.2261 2.8868 1.1751
O -0.3120 -0.2960 1.1251
C 0.0909 -0.3339 2.3107
O -0.7522 -0.5247 3.3493
C -2.2064 -0.7032 3.2615
C -2.5995 -0.8954 4.7265
H -2.3082 -0.0258 5.3008
H -3.6702 -1.0365 4.8100
H 1.3802 -1.1975 4.5868
C -2.5354 -1.9527 2.4416
H -2.2289 -1.8232 1.4167
H -2.0190 -2.8098 2.8578
H -3.6023 -2.1381 2.4771
C -2.8507 0.5575 2.6851
H -2.5573 1.4198 3.2718
H -2.5361 0.7078 1.6660
H -3.9296 0.4623 2.7184
N 1.3361 -0.2270 2.7027
C 1.7344 -0.2866 4.1288
H 1.3118 0.5549 4.6604
H -2.0929 -1.7614 5.1325
C 2.4830 0.0443 1.7664
C 3.5277 0.5927 2.7572
H 3.3547 1.6469 2.9307
C 3.2710 -0.1972 4.0639
H 3.6808 0.2813 4.9438
H 3.6943 -1.1911 3.9761
H 4.5368 0.4630 2.3893
H 3.9540 2.4932 0.4312
H 2.8247 -0.9180 1.3944
H 2.1799 0.7884 0.9360
H 3.7322 2.0039 -1.2370
C 1.2479 3.1579 0.9137
83
Frame 30
C -3.5288 0.0563 -2.0638
C -2.1025 -0.3093 -1.5914
N -1.1275 0.7968 -1.7989
C -1.6128 2.0710 -1.2020
C -3.0128 2.4857 -1.6854
C -4.0149 1.3556 -1.3975
H -2.1373 -0.4656 -0.5224
H -3.5555 0.1859 -3.1387
H -4.1957 -0.7641 -1.8159
H -1.6368 1.9318 -0.1299
H -0.8838 2.8394 -1.4139
H -3.3046 3.3952 -1.1708
H -3.0014 2.7017 -2.7483
H -4.0891 1.2072 -0.3244
H -5.0025 1.6168 -1.7621
C -0.6633 0.9650 -3.1964
H 0.1441 1.6837 -3.1832
H -1.4521 1.3744 -3.8242
C -1.6017 -1.6062 -2.2539
C -0.2015 -0.3530 -3.8411
C -1.3326 -1.3828 -3.7466
H -2.2181 -1.0320 -4.2610
H -1.0311 -2.3146 -4.2149
H 0.0158 -0.1400 -4.8839
C -0.3288 -2.1762 -1.6009
H -0.1566 -3.1687 -2.0212
H -0.4694 -2.2781 -0.5344
N 0.8873 -1.3399 -1.8102
C 1.0730 -0.9710 -3.2412
H 1.2574 -1.8905 -3.8052
C 2.0775 -2.0863 -1.3105
H 2.1688 -3.0249 -1.8600
H 1.9066 -2.3198 -0.2685
C 2.3141 -0.0844 -3.3993
H 2.1983 0.8156 -2.8114
H 2.4140 0.1963 -4.4434
C 3.3666 -1.2716 -1.4646
H 3.3082 -0.3963 -0.8356
H 4.2026 -1.8756 -1.1266
C 3.5672 -0.8375 -2.9239
H 4.4412 -0.2018 -3.0073
H 3.7284 -1.7090 -3.5528
H -2.3790 -2.3540 -2.1239
Li 0.4566 0.2509 -0.5081
C 1.8627 2.1601 -0.0982
H 1.2813 2.2261 -1.0281
C 3.3046 2.6060 -0.4373
H 3.3668 3.6518 -0.7500
H 1.8220 3.1548 1.8382
H 1.2324 4.1895 0.5511
H 0.2270 2.8844 1.1746
O -0.3126 -0.2954 1.1242
C 0.0932 -0.3337 2.3117
O -0.7532 -0.5249 3.3497
C -2.2058 -0.7032 3.2614
C -2.5996 -0.8954 4.7265
H -2.3080 -0.0259 5.3007
H -3.6704 -1.0366 4.8102
H 1.3803 -1.1977 4.5881
C -2.5355 -1.9527 2.4416
H -2.2283 -1.8231 1.4169
H -2.0189 -2.8096 2.8578
H -3.6024 -2.1383 2.4769
C -2.8508 0.5575 2.6851
H -2.5572 1.4196 3.2719
H -2.5357 0.7073 1.6661
H -3.9298 0.4625 2.7183
N 1.3354 -0.2274 2.7030
C 1.7343 -0.2869 4.1293
H 1.3117 0.5547 4.6613
H -2.0927 -1.7612 5.1323
C 2.4835 0.0446 1.7619
C 3.5269 0.5923 2.7569
H 3.3572 1.6473 2.9347
C 3.2711 -0.1970 4.0649
H 3.6798 0.2802 4.9465
H 3.6942 -1.1908 3.9755
H 4.5367 0.4624 2.3897
H 3.9522 2.4936 0.4311
H 2.8280 -0.9264 1.4074
H 2.1426 0.8847 0.8352
H 3.7309 2.0026 -1.2362
C 1.2476 3.1580 0.9141
83
Frame 31
C -3.5288 0.0563 -2.0638
C -2.1026 -0.3095 -1.5913
N -1.1272 0.7970 -1.7988
C -1.6129 2.0710 -1.2020
C -3.0128 2.4857 -1.6854
C -4.0149 1.3556 -1.3975
H -2.1369 -0.4656 -0.5224
H -3.5556 0.1858 -3.1387
H -4.1955 -0.7640 -1.8158
H -1.6372 1.9316 -0.1299
H -0.8845 2.8401 -1.4146
H -3.3047 3.3952 -1.1708
H -3.0013 2.7017 -2.7483
H -4.0891 1.2072 -0.3244
H -5.0024 1.6169 -1.7621
C -0.6634 0.9650 -3.1965
H 0.1441 1.6839 -3.1841
H -1.4521 1.3746 -3.8241
C -1.6016 -1.6062 -2.2539
C -0.2015 -0.3530 -3.8411
C -1.3327 -1.3828 -3.7466
H -2.2181 -1.0320 -4.2611
H -1.0310 -2.3145 -4.2149
H 0.0157 -0.1399 -4.8839
C -0.3289 -2.1762 -1.6008
H -0.1564 -3.1685 -2.0212
H -0.4691 -2.2778 -0.5343
N 0.8874 -1.3397 -1.8103
C 1.0729 -0.9711 -3.2412
H 1.2576 -1.8903 -3.8053
C 2.0776 -2.0863 -1.3104
H 2.1685 -3.0247 -1.8603
H 1.9073 -2.3187 -0.2683
C 2.3142 -0.0846 -3.3994
H 2.1984 0.8159 -2.8121
H 2.4138 0.1966 -4.4434
C 3.3665 -1.2716 -1.4647
H 3.3087 -0.3983 -0.8328
H 4.2024 -1.8754 -1.1265
C 3.5672 -0.8374 -2.9239
H 4.4414 -0.2019 -3.0075
H 3.7283 -1.7088 -3.5530
H -2.3790 -2.3539 -2.1239
Li 0.4552 0.2476 -0.5071
C 1.8658 2.1590 -0.0932
H 1.2808 2.2038 -1.0196
C 3.3051 2.6061 -0.4375
H 3.3622 3.6502 -0.7509
H 1.8223 3.1542 1.8367
H 1.2323 4.1861 0.5468
H 0.2278 2.8830 1.1741
O -0.3131 -0.2950 1.1234
C 0.0950 -0.3336 2.3124
O -0.7538 -0.5250 3.3500
C -2.2054 -0.7032 3.2614
C -2.5997 -0.8954 4.7265
H -2.3079 -0.0259 5.3007
H -3.6705 -1.0366 4.8104
H 1.3803 -1.1979 4.5893
C -2.5356 -1.9527 2.4416
H -2.2279 -1.8230 1.4171
H -2.0188 -2.8094 2.8578
H -3.6025 -2.1385 2.4769
C -2.8509 0.5574 2.6851
H -2.5572 1.4196 3.2720
H -2.5354 0.7070 1.6662
H -3.9300 0.4627 2.7183
N 1.3348 -0.2277 2.7034
C 1.7342 -0.2871 4.1296
H 1.3117 0.5546 4.6621
H -2.0925 -1.7611 5.1322
C 2.4850 0.0419 1.7617
C 3.5263 0.5919 2.7569
H 3.3587 1.6479 2.9375
C 3.2712 -0.1968 4.0656
H 3.6791 0.2794 4.9488
H 3.6942 -1.1906 3.9750
H 4.5369 0.4620 2.3901
H 3.9501 2.4932 0.4310
H 2.8315 -0.9351 1.4189
H 2.1030 0.9877 0.7295
H 3.7301 2.0019 -1.2356
C 1.2474 3.1582 0.9144
83
Frame 32
C -3.5287 0.0564 -2.0639
C -2.1026 -0.3096 -1.5911
N -1.1270 0.7971 -1.7988
C -1.6131 2.0710 -1.2020
C -3.0128 2.4858 -1.6854
C -4.0149 1.3556 -1.3975
H -2.1365 -0.4656 -0.5223
H -3.5556 0.1858 -3.1388
H -4.1953 -0.7640 -1.8156
H -1.6375 1.9313 -0.1299
H -0.8851 2.8409 -1.4153
H -3.3047 3.3952 -1.1708
H -3.0012 2.7018 -2.7483
H -4.0891 1.2072 -0.3245
H -5.0023 1.6171 -1.7621
C -0.6635 0.9650 -3.1966
H 0.1442 1.6841 -3.1849
H -1.4521 1.3747 -3.8239
C -1.6016 -1.6062 -2.2539
C -0.2015 -0.3530 -3.8412
C -1.3327 -1.3827 -3.7466
H -2.2181 -1.0321 -4.2612
H -1.0310 -2.3144 -4.2149
H 0.0156 -0.1398 -4.8840
C -0.3289 -2.1762 -1.6008
H -0.1563 -3.1683 -2.0213
H -0.4688 -2.2775 -0.5343
N 0.8874 -1.3395 -1.8104
C 1.0729 -0.9711 -3.2412
H 1.2577 -1.8900 -3.8054
C 2.0777 -2.0864 -1.3102
H 2.1682 -3.0245 -1.8606
H 1.9079 -2.3175 -0.2682
C 2.3142 -0.0847 -3.3995
H 2.1984 0.8162 -2.8127
H 2.4137 0.1969 -4.4434
C 3.3665 -1.2716 -1.4647
H 3.3090 -0.4003 -0.8298
H 4.2022 -1.8754 -1.1265
C 3.5672 -0.8374 -2.9238
H 4.4415 -0.2019 -3.0078
H 3.7282 -1.7085 -3.5532
H -2.3790 -2.3537 -2.1239
Li 0.4538 0.2443 -0.5060
C 1.8685 2.1587 -0.0890
H 1.2805 2.1831 -1.0114
C 3.3056 2.6064 -0.4378
H 3.3577 3.6486 -0.7519
H 1.8227 3.1534 1.8351
H 1.2324 4.1828 0.5425
H 0.2286 2.8817 1.1737
O -0.3137 -0.2945 1.1227
C 0.0968 -0.3336 2.3131
O -0.7545 -0.5251 3.3503
C -2.2049 -0.7032 3.2614
C -2.5998 -0.8954 4.7264
H -2.3077 -0.0260 5.3006
H -3.6706 -1.0366 4.8105
H 1.3804 -1.1980 4.5904
C -2.5357 -1.9527 2.4416
H -2.2275 -1.8229 1.4173
H -2.0186 -2.8093 2.8578
H -3.6027 -2.1386 2.4768
C -2.8510 0.5574 2.6851
H -2.5571 1.4195 3.2721
H -2.5351 0.7067 1.6663
H -3.9301 0.4629 2.7182
N 1.3343 -0.2281 2.7038
C 1.7340 -0.2873 4.1300
H 1.3116 0.5545 4.6629
H -2.0924 -1.7610 5.1321
C 2.4866 0.0382 1.7622
C 3.5258 0.5915 2.7569
H 3.3602 1.6485 2.9400
C 3.2714 -0.1966 4.0663
H 3.6785 0.2785 4.9510
H 3.6942 -1.1904 3.9745
H 4.5371 0.4617 2.3905
H 3.9477 2.4927 0.4309
H 2.8354 -0.9447 1.4317
H 2.0625 1.0908 0.6239
H 3.7292 2.0012 -1.2350
C 1.2471 3.1585 0.9147
83
Frame 33
C -3.5287 0.0565 -2.0639
C -2.1026 -0.3097 -1.5910
N -1.1265 0.7973 -1.7986
C -1.6132 2.0710 -1.2020
C -3.0128 2.4858 -1.6855
C -4.0148 1.3556 -1.3974
H -2.1359 -0.4656 -0.5221
H -3.5557 0.1857 -3.1388
H -4.1950 -0.7639 -1.8155
H -1.6380 1.9310 -0.1299
H -0.8860 2.8417 -1.4162
H -3.3048 3.3953 -1.1708
H -3.0011 2.7018 -2.7483
H -4.0891 1.2071 -0.3245
H -5.0021 1.6172 -1.7622
C -0.6635 0.9650 -3.1967
H 0.1441 1.6843 -3.1859
H -1.4521 1.3748 -3.8238
C -1.6015 -1.6062 -2.2539
C -0.2015 -0.3531 -3.8412
C -1.3327 -1.3827 -3.7466
H -2.2181 -1.0321 -4.2614
H -1.0309 -2.3143 -4.2148
H 0.0155 -0.1397 -4.8840
C -0.3290 -2.1762 -1.6007
H -0.1560 -3.1681 -2.0213
H -0.4683 -2.2771 -0.5342
N 0.8874 -1.3391 -1.8105
C 1.0728 -0.9712 -3.2412
H 1.2579 -1.8898 -3.8056
C 2.0779 -2.0864 -1.3101
H 2.1676 -3.0244 -1.8608
H 1.9088 -2.3158 -0.2678
C 2.3142 -0.0848 -3.3997
H 2.1984 0.8165 -2.8134
H 2.4136 0.1973 -4.4435
C 3.3665 -1.2716 -1.4648
H 3.3090 -0.4033 -0.8255
H 4.2020 -1.8756 -1.1267
C 3.5672 -0.8374 -2.9238
H 4.4417 -0.2020 -3.0082
H 3.7280 -1.7082 -3.5535
H -2.3790 -2.3536 -2.1238
Li 0.4517 0.2387 -0.5043
C 1.8714 2.1627 -0.0866
H 1.2796 2.1609 -1.0034
C 3.3064 2.6070 -0.4384
H 3.3528 3.6473 -0.7536
H 1.8236 3.1525 1.8333
H 1.2320 4.1794 0.5373
H 0.2295 2.8797 1.1731
O -0.3144 -0.2938 1.1218
C 0.0989 -0.3336 2.3138
O -0.7554 -0.5252 3.3508
C -2.2044 -0.7032 3.2613
C -2.5999 -0.8954 4.7264
H -2.3076 -0.0260 5.3005
H -3.6707 -1.0367 4.8107
H 1.3804 -1.1981 4.5920
C -2.5358 -1.9526 2.4416
H -2.2270 -1.8228 1.4175
H -2.0185 -2.8091 2.8578
H -3.6028 -2.1388 2.4767
C -2.8511 0.5574 2.6852
H -2.5570 1.4193 3.2723
H -2.5347 0.7062 1.6664
H -3.9303 0.4631 2.7182
N 1.3338 -0.2287 2.7046
C 1.7338 -0.2876 4.1306
H 1.3115 0.5544 4.6640
H -2.0922 -1.7609 5.1319
C 2.4892 0.0322 1.7624
C 3.5251 0.5909 2.7570
H 3.3617 1.6491 2.9427
C 3.2715 -0.1963 4.0674
H 3.6776 0.2773 4.9539
H 3.6942 -1.1901 3.9740
H 4.5371 0.4612 2.3913
H 3.9447 2.4923 0.4313
H 2.8415 -0.9588 1.4524
H 2.0187 1.1836 0.5177
H 3.7282 2.0002 -1.2343
C 1.2467 3.1590 0.9151
83
Frame 34
C -3.5285 0.0566 -2.0639
C -2.1025 -0.3099 -1.5907
N -1.1257 0.7977 -1.7983
C -1.6135 2.0711 -1.2020
C -3.0130 2.4859 -1.6855
C -4.0148 1.3556 -1.3974
H -2.1354 -0.4656 -0.5219
H -3.5556 0.1856 -3.1388
H -4.1947 -0.7638 -1.8152
H -1.6386 1.9309 -0.1300
H -0.8873 2.8428 -1.4170
H -3.3049 3.3953 -1.1708
H -3.0011 2.7019 -2.7483
H -4.0891 1.2071 -0.3245
H -5.0020 1.6173 -1.7622
C -0.6636 0.9650 -3.1969
H 0.1439 1.6846 -3.1875
H -1.4527 1.3747 -3.8235
C -1.6015 -1.6062 -2.2539
C -0.2015 -0.3531 -3.8414
C -1.3328 -1.3826 -3.7466
H -2.2181 -1.0322 -4.2615
H -1.0308 -2.3142 -4.2148
H 0.0153 -0.1396 -4.8842
C -0.3290 -2.1761 -1.6006
H -0.1556 -3.1679 -2.0212
H -0.4678 -2.2768 -0.5340
N 0.8875 -1.3386 -1.8107
C 1.0728 -0.9712 -3.2413
H 1.2580 -1.8897 -3.8057
C 2.0782 -2.0864 -1.3098
H 2.1665 -3.0245 -1.8605
H 1.9101 -2.3133 -0.2670
C 2.3143 -0.0850 -3.4001
H 2.1982 0.8170 -2.8147
H 2.4135 0.1973 -4.4439
C 3.3666 -1.2719 -1.4646
H 3.3090 -0.4079 -0.8191
H 4.2018 -1.8770 -1.1278
C 3.5673 -0.8371 -2.9235
H 4.4420 -0.2020 -3.0087
H 3.7278 -1.7079 -3.5534
H -2.3791 -2.3534 -2.1237
Li 0.4468 0.2259 -0.5007
C 1.8732 2.1795 -0.0913
H 1.2773 2.1531 -1.0027
C 3.3080 2.6093 -0.4402
H 3.3518 3.6478 -0.7581
H 1.8255 3.1526 1.8309
H 1.2283 4.1787 0.5339
H 0.2305 2.8758 1.1722
O -0.3158 -0.2923 1.1211
C 0.1012 -0.3338 2.3145
O -0.7565 -0.5252 3.3514
C -2.2037 -0.7031 3.2612
C -2.6001 -0.8954 4.7263
H -2.3074 -0.0261 5.3004
H -3.6709 -1.0367 4.8108
H 1.3804 -1.1985 4.5946
C -2.5359 -1.9526 2.4416
H -2.2262 -1.8227 1.4178
H -2.0185 -2.8089 2.8580
H -3.6029 -2.1389 2.4764
C -2.8513 0.5573 2.6852
H -2.5569 1.4191 3.2724
H -2.5342 0.7057 1.6666
H -3.9306 0.4633 2.7181
N 1.3335 -0.2297 2.7061
C 1.7334 -0.2881 4.1323
H 1.3109 0.5538 4.6657
H -2.0921 -1.7607 5.1317
C 2.4942 0.0185 1.7618
C 3.5239 0.5899 2.7576
H 3.3607 1.6486 2.9432
C 3.2715 -0.1958 4.0697
H 3.6763 0.2758 4.9581
H 3.6942 -1.1894 3.9744
H 4.5370 0.4606 2.3937
H 3.9405 2.4930 0.4324
H 2.8526 -0.9843 1.4914
H 1.9824 1.2220 0.4414
H 3.7268 1.9982 -1.2334
C 1.2457 3.1609 0.9154
83
Frame 35
C -3.5281 0.0568 -2.0638
C -2.1023 -0.3099 -1.5905
N -1.1247 0.7979 -1.7979
C -1.6138 2.0713 -1.2021
C -3.0132 2.4859 -1.6856
C -4.0148 1.3556 -1.3973
H -2.1354 -0.4656 -0.5216
H -3.5553 0.1856 -3.1387
H -4.1942 -0.7637 -1.8150
H -1.6391 1.9311 -0.1301
H -0.8884 2.8436 -1.4175
H -3.3051 3.3954 -1.1708
H -3.0014 2.7020 -2.7484
H -4.0891 1.2071 -0.3244
H -5.0020 1.6172 -1.7623
C -0.6637 0.9650 -3.1972
H 0.1435 1.6849 -3.1889
H -1.4536 1.3741 -3.8231
C -1.6014 -1.6062 -2.2538
C -0.2016 -0.3531 -3.8416
C -1.3329 -1.3826 -3.7466
H -2.2182 -1.0323 -4.2615
H -1.0308 -2.3142 -4.2147
H 0.0150 -0.1396 -4.8844
C -0.3288 -2.1760 -1.6006
H -0.1552 -3.1678 -2.0210
H -0.4676 -2.2770 -0.5339
N 0.8876 -1.3382 -1.8110
C 1.0727 -0.9712 -3.2414
H 1.2579 -1.8898 -3.8057
C 2.0785 -2.0863 -1.3094
H 2.1653 -3.0250 -1.8593
H 1.9111 -2.3107 -0.2660
C 2.3143 -0.0851 -3.4006
H 2.1977 0.8173 -2.8160
H 2.4136 0.1965 -4.4445
C 3.3669 -1.2725 -1.4642
H 3.3098 -0.4125 -0.8133
H 4.2016 -1.8799 -1.1299
C 3.5673 -0.8366 -2.9229
H 4.4420 -0.2016 -3.0086
H 3.7279 -1.7074 -3.5529
H -2.3791 -2.3533 -2.1236
Li 0.4400 0.2071 -0.4960
C 1.8726 2.2018 -0.1024
H 1.2759 2.1762 -1.0127
C 3.3104 2.6146 -0.4432
H 3.3615 3.6513 -0.7653
H 1.8278 3.1541 1.8283
H 1.2195 4.1846 0.5384
H 0.2321 2.8707 1.1715
O -0.3174 -0.2903 1.1216
C 0.1025 -0.3342 2.3150
O -0.7571 -0.5251 3.3520
C -2.2034 -0.7030 3.2611
C -2.6003 -0.8955 4.7262
H -2.3076 -0.0262 5.3003
H -3.6712 -1.0368 4.8107
H 1.3803 -1.1993 4.5978
C -2.5360 -1.9526 2.4416
H -2.2257 -1.8228 1.4179
H -2.0187 -2.8089 2.8582
H -3.6030 -2.1387 2.4760
C -2.8515 0.5572 2.6852
H -2.5571 1.4190 3.2725
H -2.5340 0.7055 1.6667
H -3.9307 0.4632 2.7180
N 1.3337 -0.2315 2.7081
C 1.7326 -0.2889 4.1351
H 1.3092 0.5530 4.6678
H -2.0922 -1.7607 5.1316
C 2.5014 -0.0025 1.7609
C 3.5227 0.5879 2.7584
H 3.3534 1.6465 2.9380
C 3.2711 -0.1948 4.0731
H 3.6750 0.2761 4.9623
H 3.6946 -1.1880 3.9774
H 4.5376 0.4611 2.3986
H 3.9365 2.4958 0.4333
H 2.8656 -1.0162 1.5363
H 1.9652 1.2320 0.4028
H 3.7259 1.9962 -1.2322
C 1.2444 3.1654 0.9154
83
Frame 36
C -3.5278 0.0569 -2.0636
C -2.1020 -0.3097 -1.5903
N -1.1239 0.7980 -1.7974
C -1.6140 2.0715 -1.2022
C -3.0135 2.4859 -1.6857
C -4.0148 1.3556 -1.3973
H -2.1357 -0.4655 -0.5214
H -3.5549 0.1857 -3.1386
H -4.1938 -0.7636 -1.8149
H -1.6392 1.9317 -0.1301
H -0.8891 2.8441 -1.4177
H -3.3052 3.3954 -1.1709
H -3.0018 2.7020 -2.7485
H -4.0890 1.2072 -0.3244
H -5.0021 1.6169 -1.7622
C -0.6638 0.9650 -3.1973
H 0.1431 1.6852 -3.1898
H -1.4545 1.3735 -3.8226
C -1.6013 -1.6062 -2.2538
C -0.2017 -0.3531 -3.8418
C -1.3329 -1.3826 -3.7466
H -2.2184 -1.0324 -4.2614
H -1.0309 -2.3142 -4.2146
H 0.0148 -0.1397 -4.8847
C -0.3287 -2.1762 -1.6008
H -0.1551 -3.1680 -2.0211
H -0.4675 -2.2779 -0.5340
N 0.8878 -1.3384 -1.8113
C 1.0727 -0.9712 -3.2417
H 1.2579 -1.8899 -3.8058
C 2.0786 -2.0863 -1.3090
H 2.1644 -3.0257 -1.8578
H 1.9116 -2.3088 -0.2651
C 2.3143 -0.0852 -3.4009
H 2.1970 0.8177 -2.8171
H 2.4140 0.1955 -4.4451
C 3.3674 -1.2735 -1.4638
H 3.3114 -0.4160 -0.8094
H 4.2016 -1.8831 -1.1321
C 3.5673 -0.8360 -2.9222
H 4.4418 -0.2008 -3.0078
H 3.7283 -1.7066 -3.5525
H -2.3790 -2.3532 -2.1233
Li 0.4337 0.1877 -0.4919
C 1.8711 2.2216 -0.1142
H 1.2762 2.2106 -1.0254
C 3.3137 2.6226 -0.4470
H 3.3769 3.6573 -0.7730
H 1.8299 3.1565 1.8257
H 1.2089 4.1947 0.5482
H 0.2342 2.8671 1.1718
O -0.3193 -0.2883 1.1235
C 0.1029 -0.3346 2.3159
O -0.7573 -0.5247 3.3525
C -2.2034 -0.7029 3.2611
C -2.6006 -0.8955 4.7260
H -2.3080 -0.0262 5.3003
H -3.6715 -1.0369 4.8104
H 1.3804 -1.2003 4.6010
C -2.5359 -1.9525 2.4416
H -2.2253 -1.8229 1.4180
H -2.0191 -2.8089 2.8584
H -3.6030 -2.1383 2.4756
C -2.8517 0.5571 2.6852
H -2.5574 1.4189 3.2725
H -2.5343 0.7056 1.6668
H -3.9310 0.4630 2.7180
N 1.3344 -0.2343 2.7095
C 1.7317 -0.2896 4.1379
H 1.3064 0.5520 4.6695
H -2.0925 -1.7607 5.1315
C 2.5088 -0.0256 1.7602
C 3.5214 0.5843 2.7587
H 3.3408 1.6424 2.9286
C 3.2702 -0.1931 4.0770
H 3.6732 0.2800 4.9655
H 3.6954 -1.1859 3.9835
H 4.5392 0.4634 2.4048
H 3.9335 2.5003 0.4332
H 2.8756 -1.0462 1.5709
H 1.9549 1.2469 0.3737
H 3.7266 1.9963 -1.2310
C 1.2432 3.1724 0.9152
83
Frame 37
C -3.5275 0.0570 -2.0635
C -2.1018 -0.3096 -1.5901
N -1.1232 0.7980 -1.7969
C -1.6140 2.0717 -1.2022
C -3.0137 2.4858 -1.6859
C -4.0148 1.3556 -1.3972
H -2.1360 -0.4655 -0.5212
H -3.5546 0.1859 -3.1385
H -4.1933 -0.7637 -1.8149
H -1.6391 1.9322 -0.1301
H -0.8895 2.8445 -1.4181
H -3.3053 3.3953 -1.1711
H -3.0021 2.7019 -2.7487
H -4.0890 1.2073 -0.3243
H -5.0022 1.6165 -1.7622
C -0.6639 0.9648 -3.1972
H 0.1427 1.6853 -3.1904
H -1.4552 1.3729 -3.8219
C -1.6013 -1.6062 -2.2537
C -0.2018 -0.3531 -3.8419
C -1.3330 -1.3826 -3.7466
H -2.2185 -1.0325 -4.2613
H -1.0310 -2.3143 -4.2145
H 0.0146 -0.1397 -4.8848
C -0.3286 -2.1768 -1.6013
H -0.1553 -3.1685 -2.0218
H -0.4673 -2.2795 -0.5345
N 0.8879 -1.3392 -1.8117
C 1.0728 -0.9712 -3.2419
H 1.2579 -1.8898 -3.8062
C 2.0788 -2.0866 -1.3085
H 2.1639 -3.0267 -1.8563
H 1.9120 -2.3073 -0.2643
C 2.3142 -0.0851 -3.4010
H 2.1963 0.8181 -2.8178
H 2.4144 0.1948 -4.4454
C 3.3680 -1.2746 -1.4635
H 3.3132 -0.4194 -0.8060
H 4.2016 -1.8863 -1.1341
C 3.5673 -0.8354 -2.9215
H 4.4415 -0.1996 -3.0065
H 3.7292 -1.7054 -3.5523
H -2.3791 -2.3530 -2.1231
Li 0.4284 0.1689 -0.4884
C 1.8700 2.2414 -0.1257
H 1.2768 2.2426 -1.0374
C 3.3175 2.6324 -0.4511
H 3.3907 3.6654 -0.7799
H 1.8325 3.1598 1.8229
H 1.2000 4.2060 0.5572
H 0.2364 2.8662 1.1723
O -0.3214 -0.2865 1.1260
C 0.1034 -0.3353 2.3173
O -0.7574 -0.5241 3.3536
C -2.2035 -0.7027 3.2612
C -2.6011 -0.8955 4.7259
H -2.3086 -0.0263 5.3003
H -3.6719 -1.0371 4.8101
H 1.3807 -1.2013 4.6044
C -2.5358 -1.9524 2.4416
H -2.2248 -1.8230 1.4181
H -2.0194 -2.8089 2.8587
H -3.6030 -2.1378 2.4752
C -2.8520 0.5571 2.6852
H -2.5580 1.4190 3.2726
H -2.5346 0.7056 1.6668
H -3.9313 0.4627 2.7181
N 1.3353 -0.2385 2.7104
C 1.7306 -0.2905 4.1405
H 1.3024 0.5508 4.6700
H -2.0929 -1.7607 5.1314
C 2.5155 -0.0486 1.7597
C 3.5199 0.5789 2.7580
H 3.3269 1.6363 2.9175
C 3.2691 -0.1906 4.0813
H 3.6700 0.2876 4.9679
H 3.6969 -1.1827 3.9932
H 4.5408 0.4652 2.4108
H 3.9313 2.5069 0.4327
H 2.8829 -1.0746 1.5979
H 1.9438 1.2596 0.3457
H 3.7287 1.9998 -1.2307
C 1.2422 3.1808 0.9149
83
Frame 38
C -3.5273 0.0571 -2.0635
C -2.1016 -0.3095 -1.5900
N -1.1226 0.7977 -1.7962
C -1.6139 2.0717 -1.2021
C -3.0137 2.4857 -1.6860
C -4.0148 1.3555 -1.3972
H -2.1365 -0.4656 -0.5210
H -3.5542 0.1860 -3.1384
H -4.1930 -0.7637 -1.8151
H -1.6389 1.9327 -0.1300
H -0.8898 2.8446 -1.4185
H -3.3053 3.3953 -1.1713
H -3.0023 2.7016 -2.7488
H -4.0890 1.2072 -0.3242
H -5.0022 1.6163 -1.7622
C -0.6640 0.9647 -3.1969
H 0.1424 1.6853 -3.1906
H -1.4558 1.3724 -3.8212
C -1.6013 -1.6062 -2.2537
C -0.2018 -0.3532 -3.8419
C -1.3331 -1.3827 -3.7465
H -2.2187 -1.0325 -4.2612
H -1.0312 -2.3144 -4.2145
H 0.0144 -0.1396 -4.8848
C -0.3286 -2.1779 -1.6020
H -0.1558 -3.1694 -2.0230
H -0.4672 -2.2818 -0.5352
N 0.8880 -1.3405 -1.8123
C 1.0729 -0.9715 -3.2422
H 1.2582 -1.8897 -3.8069
C 2.0790 -2.0873 -1.3081
H 2.1636 -3.0280 -1.8548
H 1.9124 -2.3063 -0.2636
C 2.3142 -0.0851 -3.4008
H 2.1955 0.8183 -2.8180
H 2.4147 0.1944 -4.4453
C 3.3686 -1.2760 -1.4632
H 3.3147 -0.4227 -0.8029
H 4.2018 -1.8893 -1.1360
C 3.5674 -0.8348 -2.9207
H 4.4412 -0.1982 -3.0050
H 3.7303 -1.7040 -3.5524
H -2.3794 -2.3528 -2.1231
Li 0.4241 0.1516 -0.4853
C 1.8696 2.2610 -0.1364
H 1.2781 2.2737 -1.0486
C 3.3213 2.6443 -0.4553
H 3.4027 3.6760 -0.7859
H 1.8354 3.1648 1.8199
H 1.1932 4.2182 0.5649
H 0.2388 2.8682 1.1721
O -0.3238 -0.2849 1.1289
C 0.1037 -0.3365 2.3190
O -0.7576 -0.5231 3.3552
C -2.2036 -0.7023 3.2614
C -2.6017 -0.8956 4.7259
H -2.3095 -0.0264 5.3005
H -3.6725 -1.0373 4.8097
H 1.3813 -1.2023 4.6083
C -2.5355 -1.9522 2.4416
H -2.2241 -1.8230 1.4182
H -2.0195 -2.8088 2.8591
H -3.6027 -2.1374 2.4749
C -2.8525 0.5571 2.6853
H -2.5587 1.4191 3.2726
H -2.5352 0.7058 1.6669
H -3.9317 0.4625 2.7183
N 1.3363 -0.2446 2.7112
C 1.7293 -0.2916 4.1427
H 1.2974 0.5497 4.6692
H -2.0934 -1.7607 5.1314
C 2.5209 -0.0712 1.7590
C 3.5183 0.5721 2.7562
H 3.3143 1.6288 2.9050
C 3.2676 -0.1874 4.0857
H 3.6656 0.2991 4.9693
H 3.6990 -1.1786 4.0063
H 4.5419 0.4646 2.4152
H 3.9301 2.5160 0.4316
H 2.8882 -1.1009 1.6200
H 1.9348 1.2743 0.3203
H 3.7315 2.0069 -1.2315
C 1.2419 3.1905 0.9142
83
Frame 39
C -3.5271 0.0571 -2.0635
C -2.1015 -0.3097 -1.5897
N -1.1220 0.7973 -1.7955
C -1.6137 2.0716 -1.2019
C -3.0136 2.4855 -1.6860
C -4.0148 1.3554 -1.3971
H -2.1369 -0.4659 -0.5208
H -3.5538 0.1862 -3.1384
H -4.1927 -0.7638 -1.8153
H -1.6385 1.9330 -0.1298
H -0.8898 2.8445 -1.4188
H -3.3052 3.3951 -1.1715
H -3.0023 2.7013 -2.7489
H -4.0889 1.2071 -0.3242
H -5.0022 1.6161 -1.7622
C -0.6639 0.9643 -3.1965
H 0.1423 1.6851 -3.1905
H -1.4561 1.3720 -3.8203
C -1.6014 -1.6065 -2.2537
C -0.2019 -0.3534 -3.8418
C -1.3333 -1.3827 -3.7466
H -2.2188 -1.0324 -4.2612
H -1.0315 -2.3144 -4.2146
H 0.0142 -0.1396 -4.8847
C -0.3287 -2.1794 -1.6030
H -0.1566 -3.1707 -2.0249
H -0.4671 -2.2848 -0.5362
N 0.8881 -1.3423 -1.8131
C 1.0730 -0.9719 -3.2424
H 1.2586 -1.8895 -3.8080
C 2.0793 -2.0885 -1.3080
H 2.1638 -3.0298 -1.8538
H 1.9128 -2.3061 -0.2632
C 2.3141 -0.0850 -3.4003
H 2.1946 0.8183 -2.8173
H 2.4150 0.1947 -4.4447
C 3.3691 -1.2775 -1.4631
H 3.3159 -0.4260 -0.8002
H 4.2020 -1.8922 -1.1377
C 3.5676 -0.8341 -2.9199
H 4.4408 -0.1967 -3.0031
H 3.7315 -1.7024 -3.5527
H -2.3798 -2.3528 -2.1232
Li 0.4210 0.1361 -0.4823
C 1.8703 2.2806 -0.1460
H 1.2802 2.3029 -1.0585
C 3.3251 2.6582 -0.4594
H 3.4123 3.6891 -0.7908
H 1.8383 3.1715 1.8169
H 1.1889 4.2312 0.5709
H 0.2414 2.8731 1.1709
O -0.3265 -0.2836 1.1320
C 0.1037 -0.3384 2.3208
O -0.7578 -0.5218 3.3573
C -2.2037 -0.7018 3.2618
C -2.6025 -0.8956 4.7260
H -2.3109 -0.0265 5.3009
H -3.6734 -1.0377 4.8094
H 1.3824 -1.2034 4.6127
C -2.5350 -1.9518 2.4418
H -2.2233 -1.8227 1.4185
H -2.0194 -2.8086 2.8596
H -3.6023 -2.1369 2.4746
C -2.8530 0.5573 2.6854
H -2.5596 1.4194 3.2726
H -2.5358 0.7058 1.6671
H -3.9322 0.4622 2.7186
N 1.3371 -0.2525 2.7118
C 1.7279 -0.2929 4.1445
H 1.2916 0.5484 4.6671
H -2.0941 -1.7606 5.1315
C 2.5246 -0.0929 1.7583
C 3.5167 0.5640 2.7534
H 3.3044 1.6206 2.8909
C 3.2659 -0.1833 4.0901
H 3.6600 0.3137 4.9695
H 3.7017 -1.1735 4.0218
H 4.5424 0.4604 2.4176
H 3.9300 2.5277 0.4297
H 2.8917 -1.1253 1.6372
H 1.9278 1.2887 0.2980
H 3.7347 2.0177 -1.2334
C 1.2425 3.2015 0.9129
83
Frame 40
C -3.5268 0.0570 -2.0635
C -2.1014 -0.3100 -1.5895
N -1.1214 0.7967 -1.7947
C -1.6133 2.0712 -1.2016
C -3.0134 2.4851 -1.6860
C -4.0147 1.3552 -1.3970
H -2.1373 -0.4665 -0.5206
H -3.5534 0.1863 -3.1384
H -4.1926 -0.7639 -1.8156
H -1.6381 1.9331 -0.1294
H -0.8897 2.8441 -1.4190
H -3.3048 3.3949 -1.1716
H -3.0019 2.7008 -2.7489
H -4.0888 1.2069 -0.3241
H -5.0020 1.6159 -1.7622
C -0.6637 0.9639 -3.1959
H 0.1424 1.6848 -3.1900
H -1.4563 1.3715 -3.8194
C -1.6016 -1.6070 -2.2539
C -0.2018 -0.3536 -3.8417
C -1.3335 -1.3828 -3.7467
H -2.2188 -1.0322 -4.2613
H -1.0319 -2.3144 -4.2149
H 0.0141 -0.1395 -4.8845
C -0.3289 -2.1814 -1.6043
H -0.1577 -3.1723 -2.0272
H -0.4670 -2.2883 -0.5375
N 0.8883 -1.3447 -1.8139
C 1.0732 -0.9725 -3.2427
H 1.2592 -1.8894 -3.8094
C 2.0796 -2.0903 -1.3082
H 2.1642 -3.0319 -1.8534
H 1.9133 -2.3069 -0.2632
C 2.3139 -0.0848 -3.3994
H 2.1936 0.8180 -2.8158
H 2.4151 0.1955 -4.4436
C 3.3695 -1.2792 -1.4630
H 3.3166 -0.4293 -0.7980
H 4.2023 -1.8949 -1.1391
C 3.5678 -0.8336 -2.9191
H 4.4404 -0.1952 -3.0012
H 3.7328 -1.7008 -3.5532
H -2.3803 -2.3529 -2.1236
Li 0.4192 0.1230 -0.4792
C 1.8718 2.2997 -0.1543
H 1.2831 2.3300 -1.0670
C 3.3289 2.6740 -0.4634
H 3.4196 3.7045 -0.7947
H 1.8413 3.1799 1.8141
H 1.1872 4.2450 0.5750
H 0.2442 2.8808 1.1687
O -0.3293 -0.2827 1.1352
C 0.1033 -0.3409 2.3228
O -0.7583 -0.5202 3.3598
C -2.2039 -0.7012 3.2626
C -2.6037 -0.8955 4.7263
H -2.3128 -0.0265 5.3017
H -3.6745 -1.0382 4.8091
H 1.3840 -1.2046 4.6175
C -2.5343 -1.9513 2.4422
H -2.2221 -1.8222 1.4191
H -2.0189 -2.8081 2.8602
H -3.6016 -2.1364 2.4744
C -2.8537 0.5575 2.6857
H -2.5606 1.4199 3.2728
H -2.5366 0.7059 1.6674
H -3.9329 0.4619 2.7190
N 1.3375 -0.2618 2.7123
C 1.7265 -0.2946 4.1461
H 1.2853 0.5469 4.6642
H -2.0951 -1.7604 5.1318
C 2.5267 -0.1133 1.7575
C 3.5152 0.5552 2.7494
H 3.2978 1.6121 2.8757
C 3.2640 -0.1788 4.0940
H 3.6537 0.3304 4.9684
H 3.7049 -1.1675 4.0385
H 4.5424 0.4527 2.4179
H 3.9312 2.5417 0.4271
H 2.8936 -1.1475 1.6504
H 1.9230 1.3040 0.2788
H 3.7383 2.0320 -1.2363
C 1.2440 3.2135 0.9112
83
Frame 41
C -3.5265 0.0568 -2.0634
C -2.1011 -0.3106 -1.5892
N -1.1207 0.7959 -1.7938
C -1.6129 2.0707 -1.2011
C -3.0129 2.4847 -1.6858
C -4.0144 1.3550 -1.3969
H -2.1375 -0.4675 -0.5204
H -3.5528 0.1863 -3.1383
H -4.1924 -0.7641 -1.8158
H -1.6377 1.9329 -0.1289
H -0.8893 2.8434 -1.4188
H -3.3043 3.3946 -1.1716
H -3.0013 2.7002 -2.7487
H -4.0887 1.2067 -0.3240
H -5.0017 1.6157 -1.7622
C -0.6634 0.9634 -3.1951
H 0.1427 1.6842 -3.1894
H -1.4562 1.3711 -3.8182
C -1.6018 -1.6076 -2.2542
C -0.2017 -0.3539 -3.8415
C -1.3336 -1.3829 -3.7469
H -2.2189 -1.0318 -4.2614
H -1.0323 -2.3144 -4.2155
H 0.0141 -0.1394 -4.8842
C -0.3291 -2.1838 -1.6057
H -0.1588 -3.1743 -2.0299
H -0.4670 -2.2922 -0.5389
N 0.8884 -1.3474 -1.8148
C 1.0734 -0.9732 -3.2430
H 1.2599 -1.8892 -3.8109
C 2.0800 -2.0926 -1.3089
H 2.1649 -3.0343 -1.8538
H 1.9138 -2.3087 -0.2637
C 2.3137 -0.0847 -3.3981
H 2.1925 0.8174 -2.8135
H 2.4150 0.1970 -4.4420
C 3.3698 -1.2810 -1.4630
H 3.3168 -0.4327 -0.7960
H 4.2026 -1.8975 -1.1405
C 3.5679 -0.8330 -2.9184
H 4.4401 -0.1937 -2.9992
H 3.7340 -1.6990 -3.5538
H -2.3809 -2.3532 -2.1243
Li 0.4188 0.1120 -0.4757
C 1.8745 2.3182 -0.1612
H 1.2865 2.3542 -1.0740
C 3.3328 2.6913 -0.4674
H 3.4249 3.7219 -0.7979
H 1.8442 3.1899 1.8115
H 1.1876 4.2593 0.5775
H 0.2472 2.8911 1.1656
O -0.3322 -0.2823 1.1382
C 0.1025 -0.3441 2.3248
O -0.7591 -0.5183 3.3626
C -2.2044 -0.7005 3.2636
C -2.6052 -0.8955 4.7269
H -2.3152 -0.0264 5.3027
H -3.6760 -1.0387 4.8089
H 1.3862 -1.2060 4.6225
C -2.5335 -1.9507 2.4427
H -2.2207 -1.8214 1.4199
H -2.0182 -2.8074 2.8611
H -3.6007 -2.1362 2.4743
C -2.8546 0.5577 2.6862
H -2.5619 1.4204 3.2731
H -2.5374 0.7060 1.6680
H -3.9337 0.4617 2.7194
N 1.3376 -0.2722 2.7128
C 1.7250 -0.2966 4.1473
H 1.2788 0.5450 4.6608
H -2.0964 -1.7602 5.1325
C 2.5271 -0.1323 1.7566
C 3.5137 0.5459 2.7445
H 3.2939 1.6035 2.8596
C 3.2621 -0.1739 4.0972
H 3.6472 0.3481 4.9660
H 3.7083 -1.1609 4.0552
H 4.5418 0.4424 2.4162
H 3.9336 2.5579 0.4240
H 2.8940 -1.1676 1.6600
H 1.9207 1.3192 0.2633
H 3.7424 2.0491 -1.2400
C 1.2462 3.2266 0.9092
83
Frame 42
C -3.5262 0.0565 -2.0634
C -2.1008 -0.3115 -1.5889
N -1.1200 0.7949 -1.7928
C -1.6123 2.0698 -1.2005
C -3.0122 2.4841 -1.6856
C -4.0140 1.3546 -1.3968
H -2.1376 -0.4687 -0.5202
H -3.5522 0.1862 -3.1382
H -4.1922 -0.7644 -1.8161
H -1.6373 1.9324 -0.1282
H -0.8887 2.8425 -1.4183
H -3.3035 3.3941 -1.1715
H -3.0004 2.6996 -2.7485
H -4.0885 1.2063 -0.3239
H -5.0012 1.6155 -1.7622
C -0.6629 0.9627 -3.1942
H 0.1432 1.6835 -3.1885
H -1.4559 1.3707 -3.8170
C -1.6020 -1.6085 -2.2547
C -0.2016 -0.3543 -3.8412
C -1.3338 -1.3830 -3.7472
H -2.2189 -1.0314 -4.2616
H -1.0327 -2.3144 -4.2162
H 0.0142 -0.1393 -4.8839
C -0.3294 -2.1863 -1.6073
H -0.1599 -3.1764 -2.0328
H -0.4670 -2.2964 -0.5406
N 0.8885 -1.3503 -1.8156
C 1.0736 -0.9740 -3.2432
H 1.2607 -1.8891 -3.8124
C 2.0804 -2.0953 -1.3099
H 2.1656 -3.0368 -1.8552
H 1.9143 -2.3117 -0.2648
C 2.3135 -0.0845 -3.3967
H 2.1914 0.8165 -2.8106
H 2.4149 0.1989 -4.4400
C 3.3700 -1.2831 -1.4631
H 3.3166 -0.4362 -0.7942
H 4.2029 -1.9000 -1.1416
C 3.5681 -0.8326 -2.9177
H 4.4397 -0.1924 -2.9971
H 3.7352 -1.6973 -3.5545
H -2.3816 -2.3537 -2.1251
Li 0.4197 0.1027 -0.4718
C 1.8779 2.3360 -0.1668
H 1.2905 2.3760 -1.0795
C 3.3367 2.7098 -0.4712
H 3.4287 3.7406 -0.8007
H 1.8470 3.2013 1.8092
H 1.1898 4.2742 0.5785
H 0.2503 2.9033 1.1619
O -0.3352 -0.2825 1.1412
C 0.1013 -0.3476 2.3268
O -0.7602 -0.5162 3.3655
C -2.2052 -0.6996 3.2650
C -2.6071 -0.8953 4.7277
H -2.3181 -0.0263 5.3041
H -3.6779 -1.0393 4.8088
H 1.3889 -1.2076 4.6275
C -2.5326 -1.9501 2.4435
H -2.2191 -1.8204 1.4210
H -2.0172 -2.8065 2.8622
H -3.5998 -2.1362 2.4743
C -2.8558 0.5581 2.6870
H -2.5635 1.4211 3.2736
H -2.5382 0.7061 1.6688
H -3.9348 0.4617 2.7200
N 1.3371 -0.2829 2.7133
C 1.7236 -0.2988 4.1482
H 1.2725 0.5428 4.6572
H -2.0980 -1.7598 5.1334
C 2.5263 -0.1499 1.7554
C 3.5121 0.5366 2.7388
H 3.2918 1.5953 2.8432
C 3.2602 -0.1690 4.0993
H 3.6409 0.3658 4.9623
H 3.7116 -1.1541 4.0708
H 4.5408 0.4304 2.4128
H 3.9371 2.5759 0.4204
H 2.8933 -1.1858 1.6668
H 1.9207 1.3347 0.2508
H 3.7468 2.0682 -1.2441
C 1.2491 3.2405 0.9069
83
Frame 43
C -3.5257 0.0561 -2.0632
C -2.1004 -0.3125 -1.5886
N -1.1191 0.7937 -1.7917
C -1.6116 2.0687 -1.1996
C -3.0114 2.4834 -1.6852
C -4.0135 1.3542 -1.3966
H -2.1375 -0.4703 -0.5199
H -3.5515 0.1860 -3.1380
H -4.1920 -0.7647 -1.8162
H -1.6368 1.9314 -0.1273
H -0.8879 2.8413 -1.4174
H -3.3025 3.3935 -1.1712
H -2.9992 2.6989 -2.7481
H -4.0882 1.2058 -0.3238
H -5.0006 1.6153 -1.7623
C -0.6624 0.9620 -3.1932
H 0.1438 1.6827 -3.1874
H -1.4554 1.3702 -3.8156
C -1.6022 -1.6094 -2.2552
C -0.2014 -0.3548 -3.8409
C -1.3339 -1.3831 -3.7476
H -2.2188 -1.0309 -4.2618
H -1.0331 -2.3144 -4.2172
H 0.0145 -0.1391 -4.8835
C -0.3296 -2.1890 -1.6089
H -0.1610 -3.1786 -2.0358
H -0.4671 -2.3007 -0.5423
N 0.8886 -1.3534 -1.8164
C 1.0738 -0.9749 -3.2434
H 1.2616 -1.8890 -3.8139
C 2.0808 -2.0985 -1.3113
H 2.1664 -3.0394 -1.8575
H 1.9149 -2.3157 -0.2664
C 2.3132 -0.0843 -3.3950
H 2.1903 0.8156 -2.8072
H 2.4147 0.2012 -4.4378
C 3.3701 -1.2854 -1.4632
H 3.3160 -0.4399 -0.7926
H 4.2032 -1.9026 -1.1428
C 3.5683 -0.8322 -2.9169
H 4.4394 -0.1911 -2.9950
H 3.7362 -1.6956 -3.5554
H -2.3822 -2.3543 -2.1261
Li 0.4217 0.0947 -0.4674
C 1.8822 2.3534 -0.1711
H 1.2949 2.3954 -1.0837
C 3.3408 2.7291 -0.4749
H 3.4311 3.7604 -0.8037
H 1.8498 3.2142 1.8072
H 1.1931 4.2894 0.5783
H 0.2537 2.9170 1.1580
O -0.3383 -0.2834 1.1440
C 0.0997 -0.3514 2.3287
O -0.7616 -0.5141 3.3685
C -2.2063 -0.6988 3.2666
C -2.6094 -0.8951 4.7288
H -2.3214 -0.0260 5.3057
H -3.6801 -1.0399 4.8090
H 1.3920 -1.2094 4.6321
C -2.5319 -1.9495 2.4446
H -2.2177 -1.8195 1.4224
H -2.0161 -2.8056 2.8637
H -3.5990 -2.1365 2.4745
C -2.8572 0.5585 2.6879
H -2.5654 1.4217 3.2744
H -2.5393 0.7062 1.6698
H -3.9362 0.4617 2.7205
N 1.3362 -0.2936 2.7137
C 1.7225 -0.3012 4.1488
H 1.2666 0.5403 4.6536
H -2.0999 -1.7593 5.1347
C 2.5243 -0.1662 1.7539
C 3.5103 0.5276 2.7323
H 3.2907 1.5872 2.8266
C 3.2585 -0.1644 4.1003
H 3.6352 0.3824 4.9574
H 3.7148 -1.1475 4.0844
H 4.5392 0.4179 2.4080
H 3.9416 2.5957 0.4166
H 2.8915 -1.2026 1.6713
H 1.9226 1.3501 0.2412
H 3.7517 2.0887 -1.2484
C 1.2525 3.2552 0.9045
83
Frame 44
C -3.5250 0.0555 -2.0630
C -2.0999 -0.3137 -1.5882
N -1.1180 0.7923 -1.7905
C -1.6107 2.0674 -1.1985
C -3.0102 2.4826 -1.6846
C -4.0128 1.3537 -1.3964
H -2.1372 -0.4721 -0.5197
H -3.5507 0.1856 -3.1378
H -4.1916 -0.7651 -1.8163
H -1.6363 1.9300 -0.1262
H -0.8868 2.8399 -1.4162
H -3.3012 3.3928 -1.1707
H -2.9977 2.6981 -2.7475
H -4.0879 1.2052 -0.3236
H -4.9997 1.6150 -1.7624
C -0.6617 0.9612 -3.1920
H 0.1445 1.6818 -3.1863
H -1.4549 1.3698 -3.8141
C -1.6023 -1.6105 -2.2558
C -0.2011 -0.3552 -3.8406
C -1.3339 -1.3833 -3.7480
H -2.2187 -1.0304 -4.2621
H -1.0335 -2.3143 -4.2182
H 0.0148 -0.1389 -4.8831
C -0.3298 -2.1917 -1.6105
H -0.1620 -3.1809 -2.0387
H -0.4673 -2.3049 -0.5439
N 0.8887 -1.3564 -1.8171
C 1.0741 -0.9757 -3.2435
H 1.2626 -1.8888 -3.8154
C 2.0812 -2.1020 -1.3130
H 2.1672 -3.0421 -1.8606
H 1.9154 -2.3206 -0.2684
C 2.3129 -0.0840 -3.3931
H 2.1892 0.8145 -2.8034
H 2.4144 0.2037 -4.4353
C 3.3702 -1.2880 -1.4635
H 3.3152 -0.4439 -0.7911
H 4.2035 -1.9054 -1.1440
C 3.5684 -0.8319 -2.9162
H 4.4390 -0.1900 -2.9927
H 3.7372 -1.6939 -3.5564
H -2.3827 -2.3549 -2.1272
Li 0.4250 0.0875 -0.4627
C 1.8872 2.3702 -0.1743
H 1.2997 2.4128 -1.0866
C 3.3451 2.7490 -0.4785
H 3.4327 3.7806 -0.8069
H 1.8527 3.2285 1.8055
H 1.1972 4.3049 0.5770
H 0.2572 2.9316 1.1541
O -0.3416 -0.2848 1.1467
C 0.0976 -0.3552 2.3307
O -0.7633 -0.5119 3.3715
C -2.2078 -0.6979 3.2683
C -2.6119 -0.8948 4.7302
H -2.3251 -0.0256 5.3074
H -3.6826 -1.0404 4.8094
H 1.3953 -1.2114 4.6363
C -2.5314 -1.9489 2.4460
H -2.2165 -1.8185 1.4241
H -2.0152 -2.8045 2.8655
H -3.5983 -2.1369 2.4750
C -2.8589 0.5588 2.6890
H -2.5677 1.4223 3.2755
H -2.5405 0.7064 1.6711
H -3.9379 0.4617 2.7212
N 1.3349 -0.3039 2.7140
C 1.7215 -0.3037 4.1490
H 1.2614 0.5376 4.6502
H -2.1021 -1.7587 5.1363
C 2.5213 -0.1813 1.7520
C 3.5083 0.5189 2.7252
H 3.2898 1.5795 2.8102
C 3.2570 -0.1603 4.1002
H 3.6301 0.3982 4.9515
H 3.7183 -1.1412 4.0964
H 4.5371 0.4056 2.4019
H 3.9469 2.6170 0.4126
H 2.8887 -1.2178 1.6743
H 1.9263 1.3657 0.2341
H 3.7569 2.1097 -1.2524
C 1.2563 3.2703 0.9022
83
Frame 45
C -3.5243 0.0549 -2.0628
C -2.0991 -0.3150 -1.5878
N -1.1169 0.7908 -1.7892
C -1.6096 2.0659 -1.1972
C -3.0089 2.4816 -1.6838
C -4.0119 1.3530 -1.3962
H -2.1368 -0.4741 -0.5194
H -3.5497 0.1852 -3.1375
H -4.1910 -0.7657 -1.8163
H -1.6356 1.9283 -0.1249
H -0.8855 2.8382 -1.4145
H -3.2998 3.3919 -1.1699
H -2.9959 2.6972 -2.7467
H -4.0874 1.2045 -0.3234
H -4.9986 1.6147 -1.7625
C -0.6610 0.9604 -3.1908
H 0.1453 1.6809 -3.1850
H -1.4543 1.3694 -3.8124
C -1.6022 -1.6117 -2.2564
C -0.2008 -0.3556 -3.8403
C -1.3338 -1.3835 -3.7485
H -2.2185 -1.0300 -4.2623
H -1.0337 -2.3143 -4.2193
H 0.0153 -0.1387 -4.8826
C -0.3300 -2.1944 -1.6121
H -0.1629 -3.1832 -2.0416
H -0.4674 -2.3091 -0.5456
N 0.8889 -1.3596 -1.8178
C 1.0743 -0.9765 -3.2435
H 1.2636 -1.8886 -3.8168
C 2.0815 -2.1058 -1.3150
H 2.1679 -3.0448 -1.8644
H 1.9160 -2.3262 -0.2709
C 2.3126 -0.0837 -3.3911
H 2.1881 0.8134 -2.7994
H 2.4141 0.2064 -4.4326
C 3.3702 -1.2909 -1.4638
H 3.3144 -0.4481 -0.7897
H 4.2038 -1.9084 -1.1454
C 3.5686 -0.8317 -2.9155
H 4.4387 -0.1889 -2.9905
H 3.7382 -1.6922 -3.5575
H -2.3831 -2.3557 -2.1283
Li 0.4293 0.0808 -0.4575
C 1.8928 2.3866 -0.1767
H 1.3047 2.4285 -1.0886
C 3.3496 2.7693 -0.4819
H 3.4335 3.8009 -0.8109
H 1.8559 3.2440 1.8039
H 1.2015 4.3204 0.5749
H 0.2611 2.9468 1.1504
O -0.3451 -0.2867 1.1492
C 0.0952 -0.3590 2.3326
O -0.7653 -0.5098 3.3744
C -2.2096 -0.6971 3.2703
C -2.6147 -0.8944 4.7317
H -2.3291 -0.0250 5.3093
H -3.6853 -1.0409 4.8101
H 1.3989 -1.2137 4.6399
C -2.5312 -1.9484 2.4476
H -2.2156 -1.8177 1.4261
H -2.0145 -2.8035 2.8676
H -3.5980 -2.1375 2.4759
C -2.8609 0.5592 2.6903
H -2.5703 1.4229 3.2768
H -2.5420 0.7066 1.6725
H -3.9399 0.4617 2.7219
N 1.3333 -0.3137 2.7142
C 1.7207 -0.3063 4.1488
H 1.2569 0.5347 4.6470
H -2.1046 -1.7580 5.1382
C 2.5175 -0.1952 1.7497
C 3.5059 0.5107 2.7175
H 3.2886 1.5722 2.7941
C 3.2557 -0.1565 4.0989
H 3.6258 0.4125 4.9443
H 3.7214 -1.1352 4.1059
H 4.5344 0.3938 2.3947
H 3.9528 2.6398 0.4085
H 2.8852 -1.2319 1.6758
H 1.9313 1.3813 0.2292
H 3.7625 2.1309 -1.2561
C 1.2605 3.2858 0.8999
83
Frame 46
C -3.5233 0.0542 -2.0624
C -2.0983 -0.3164 -1.5874
N -1.1155 0.7892 -1.7879
C -1.6083 2.0642 -1.1956
C -3.0073 2.4806 -1.6828
C -4.0109 1.3523 -1.3958
H -2.1361 -0.4762 -0.5191
H -3.5486 0.1846 -3.1371
H -4.1904 -0.7663 -1.8163
H -1.6347 1.9263 -0.1233
H -0.8839 2.8364 -1.4125
H -3.2980 3.3909 -1.1689
H -2.9938 2.6964 -2.7457
H -4.0869 1.2037 -0.3231
H -4.9973 1.6144 -1.7625
C -0.6602 0.9595 -3.1895
H 0.1461 1.6800 -3.1836
H -1.4537 1.3690 -3.8106
C -1.6021 -1.6129 -2.2570
C -0.2004 -0.3560 -3.8399
C -1.3337 -1.3837 -3.7489
H -2.2181 -1.0295 -4.2626
H -1.0337 -2.3142 -4.2204
H 0.0158 -0.1385 -4.8820
C -0.3301 -2.1972 -1.6136
H -0.1637 -3.1855 -2.0443
H -0.4676 -2.3132 -0.5472
N 0.8892 -1.3627 -1.8184
C 1.0747 -0.9773 -3.2435
H 1.2647 -1.8884 -3.8182
C 2.0819 -2.1099 -1.3173
H 2.1686 -3.0477 -1.8687
H 1.9166 -2.3325 -0.2736
C 2.3124 -0.0834 -3.3890
H 2.1871 0.8123 -2.7952
H 2.4139 0.2092 -4.4298
C 3.3703 -1.2940 -1.4642
H 3.3136 -0.4526 -0.7883
H 4.2042 -1.9116 -1.1468
C 3.5687 -0.8315 -2.9149
H 4.4385 -0.1880 -2.9881
H 3.7391 -1.6905 -3.5587
H -2.3835 -2.3566 -2.1295
Li 0.4344 0.0744 -0.4519
C 1.8988 2.4027 -0.1782
H 1.3100 2.4427 -1.0897
C 3.3542 2.7897 -0.4853
H 3.4339 3.8212 -0.8156
H 1.8593 3.2607 1.8024
H 1.2056 4.3361 0.5721
H 0.2653 2.9622 1.1471
O -0.3488 -0.2890 1.1517
C 0.0924 -0.3627 2.3345
O -0.7676 -0.5077 3.3774
C -2.2116 -0.6963 3.2724
C -2.6177 -0.8939 4.7335
H -2.3332 -0.0243 5.3114
H -3.6882 -1.0412 4.8110
H 1.4027 -1.2159 4.6429
C -2.5315 -1.9480 2.4496
H -2.2153 -1.8171 1.4283
H -2.0141 -2.8025 2.8700
H -3.5980 -2.1382 2.4772
C -2.8632 0.5595 2.6918
H -2.5733 1.4235 3.2782
H -2.5437 0.7067 1.6741
H -3.9422 0.4616 2.7227
N 1.3312 -0.3229 2.7143
C 1.7201 -0.3090 4.1483
H 1.2531 0.5317 4.6439
H -2.1072 -1.7571 5.1403
C 2.5130 -0.2080 1.7470
C 3.5032 0.5030 2.7093
H 3.2871 1.5653 2.7783
C 3.2546 -0.1534 4.0966
H 3.6225 0.4250 4.9367
H 3.7244 -1.1301 4.1130
H 4.5314 0.3829 2.3863
H 3.9592 2.6638 0.4046
H 2.8810 -1.2447 1.6762
H 1.9375 1.3968 0.2259
H 3.7684 2.1518 -1.2593
C 1.2648 3.3016 0.8977
83
Frame 47
C -3.5223 0.0534 -2.0620
C -2.0973 -0.3178 -1.5868
N -1.1141 0.7875 -1.7865
C -1.6068 2.0623 -1.1938
C -3.0055 2.4795 -1.6816
C -4.0097 1.3516 -1.3953
H -2.1352 -0.4785 -0.5187
H -3.5474 0.1841 -3.1367
H -4.1896 -0.7669 -1.8161
H -1.6337 1.9239 -0.1216
H -0.8821 2.8344 -1.4102
H -3.2961 3.3898 -1.1676
H -2.9915 2.6955 -2.7444
H -4.0862 1.2027 -0.3226
H -4.9959 1.6140 -1.7624
C -0.6594 0.9587 -3.1882
H 0.1470 1.6791 -3.1823
H -1.4531 1.3686 -3.8088
C -1.6019 -1.6141 -2.2577
C -0.1999 -0.3564 -3.8395
C -1.3334 -1.3839 -3.7494
H -2.2177 -1.0292 -4.2629
H -1.0336 -2.3142 -4.2216
H 0.0165 -0.1382 -4.8814
C -0.3302 -2.1999 -1.6150
H -0.1644 -3.1878 -2.0469
H -0.4677 -2.3171 -0.5488
N 0.8896 -1.3659 -1.8189
C 1.0750 -0.9781 -3.2434
H 1.2659 -1.8881 -3.8195
C 2.0824 -2.1142 -1.3198
H 2.1693 -3.0506 -1.8735
H 1.9172 -2.3394 -0.2766
C 2.3123 -0.0831 -3.3868
H 2.1863 0.8112 -2.7909
H 2.4137 0.2120 -4.4269
C 3.3704 -1.2973 -1.4647
H 3.3129 -0.4575 -0.7870
H 4.2046 -1.9152 -1.1484
C 3.5690 -0.8315 -2.9142
H 4.4383 -0.1871 -2.9857
H 3.7400 -1.6888 -3.5600
H -2.3837 -2.3574 -2.1307
Li 0.4403 0.0681 -0.4459
C 1.9052 2.4185 -0.1791
H 1.3155 2.4559 -1.0902
C 3.3590 2.8101 -0.4885
H 3.4341 3.8412 -0.8211
H 1.8631 3.2786 1.8010
H 1.2095 4.3515 0.5688
H 0.2700 2.9775 1.1443
O -0.3529 -0.2916 1.1540
C 0.0892 -0.3663 2.3363
O -0.7701 -0.5058 3.3803
C -2.2140 -0.6956 3.2747
C -2.6208 -0.8934 4.7354
H -2.3374 -0.0235 5.3135
H -3.6913 -1.0414 4.8122
H 1.4065 -1.2183 4.6453
C -2.5321 -1.9477 2.4518
H -2.2156 -1.8166 1.4307
H -2.0141 -2.8016 2.8727
H -3.5984 -2.1390 2.4790
C -2.8658 0.5598 2.6933
H -2.5766 1.4240 3.2797
H -2.5457 0.7068 1.6758
H -3.9448 0.4614 2.7236
N 1.3288 -0.3313 2.7141
C 1.7198 -0.3116 4.1474
H 1.2502 0.5287 4.6411
H -2.1100 -1.7562 5.1427
C 2.5078 -0.2197 1.7438
C 3.5002 0.4959 2.7006
H 3.2852 1.5589 2.7630
C 3.2538 -0.1507 4.0932
H 3.6199 0.4361 4.9281
H 3.7273 -1.1254 4.1178
H 4.5278 0.3729 2.3771
H 3.9659 2.6889 0.4008
H 2.8761 -1.2564 1.6754
H 1.9444 1.4124 0.2240
H 3.7745 2.1722 -1.2617
C 1.2694 3.3176 0.8956
83
Frame 48
C -3.5210 0.0526 -2.0615
C -2.0962 -0.3194 -1.5863
N -1.1125 0.7857 -1.7850
C -1.6051 2.0603 -1.1919
C -3.0035 2.4783 -1.6802
C -4.0083 1.3508 -1.3947
H -2.1342 -0.4808 -0.5183
H -3.5460 0.1835 -3.1362
H -4.1887 -0.7676 -1.8159
H -1.6325 1.9213 -0.1197
H -0.8802 2.8323 -1.4076
H -3.2940 3.3886 -1.1660
H -2.9889 2.6948 -2.7428
H -4.0854 1.2017 -0.3221
H -4.9942 1.6137 -1.7623
C -0.6585 0.9579 -3.1867
H 0.1479 1.6783 -3.1808
H -1.4525 1.3682 -3.8068
C -1.6016 -1.6154 -2.2582
C -0.1993 -0.3568 -3.8390
C -1.3330 -1.3841 -3.7498
H -2.2172 -1.0288 -4.2631
H -1.0334 -2.3141 -4.2227
H 0.0172 -0.1378 -4.8808
C -0.3301 -2.2026 -1.6164
H -0.1651 -3.1902 -2.0494
H -0.4677 -2.3210 -0.5503
N 0.8901 -1.3691 -1.8194
C 1.0755 -0.9788 -3.2433
H 1.2671 -1.8877 -3.8208
C 2.0829 -2.1186 -1.3224
H 2.1700 -3.0536 -1.8786
H 1.9180 -2.3467 -0.2798
C 2.3122 -0.0827 -3.3846
H 2.1856 0.8100 -2.7865
H 2.4135 0.2150 -4.4239
C 3.3706 -1.3009 -1.4653
H 3.3122 -0.4626 -0.7857
H 4.2052 -1.9189 -1.1502
C 3.5693 -0.8314 -2.9136
H 4.4382 -0.1864 -2.9833
H 3.7410 -1.6871 -3.5614
H -2.3838 -2.3584 -2.1318
Li 0.4469 0.0619 -0.4396
C 1.9117 2.4339 -0.1795
H 1.3211 2.4682 -1.0901
C 3.3638 2.8303 -0.4916
H 3.4340 3.8607 -0.8273
H 1.8671 3.2971 1.7996
H 1.2130 4.3670 0.5649
H 0.2748 2.9927 1.1421
O -0.3572 -0.2945 1.1563
C 0.0858 -0.3698 2.3381
O -0.7727 -0.5040 3.3832
C -2.2166 -0.6949 3.2771
C -2.6241 -0.8927 4.7376
H -2.3417 -0.0226 5.3157
H -3.6945 -1.0415 4.8137
H 1.4104 -1.2207 4.6471
C -2.5331 -1.9475 2.4543
H -2.2164 -1.8164 1.4333
H -2.0145 -2.8009 2.8756
H -3.5993 -2.1399 2.4812
C -2.8686 0.5600 2.6950
H -2.5801 1.4244 3.2813
H -2.5480 0.7067 1.6776
H -3.9476 0.4611 2.7247
N 1.3261 -0.3391 2.7138
C 1.7196 -0.3143 4.1462
H 1.2480 0.5256 4.6385
H -2.1129 -1.7551 5.1453
C 2.5021 -0.2304 1.7402
C 3.4968 0.4894 2.6915
H 3.2827 1.5529 2.7480
C 3.2531 -0.1487 4.0889
H 3.6182 0.4456 4.9191
H 3.7300 -1.1215 4.1204
H 4.5238 0.3638 2.3669
H 3.9726 2.7145 0.3972
H 2.8707 -1.2670 1.6736
H 1.9518 1.4279 0.2233
H 3.7810 2.1919 -1.2637
C 1.2740 3.3337 0.8937
83
Frame 49
C -3.5197 0.0518 -2.0609
C -2.0949 -0.3209 -1.5857
N -1.1108 0.7839 -1.7835
C -1.6033 2.0582 -1.1897
C -3.0014 2.4771 -1.6785
C -4.0068 1.3499 -1.3940
H -2.1330 -0.4831 -0.5179
H -3.5446 0.1830 -3.1356
H -4.1876 -0.7683 -1.8157
H -1.6311 1.9185 -0.1177
H -0.8780 2.8301 -1.4047
H -3.2916 3.3873 -1.1641
H -2.9862 2.6940 -2.7411
H -4.0846 1.2005 -0.3215
H -4.9924 1.6134 -1.7620
C -0.6575 0.9571 -3.1853
H 0.1488 1.6775 -3.1793
H -1.4518 1.3678 -3.8048
C -1.6011 -1.6167 -2.2588
C -0.1987 -0.3571 -3.8385
C -1.3325 -1.3843 -3.7502
H -2.2166 -1.0285 -4.2632
H -1.0330 -2.3140 -4.2237
H 0.0180 -0.1374 -4.8801
C -0.3300 -2.2053 -1.6176
H -0.1656 -3.1925 -2.0517
H -0.4677 -2.3248 -0.5517
N 0.8907 -1.3723 -1.8199
C 1.0760 -0.9794 -3.2431
H 1.2684 -1.8873 -3.8221
C 2.0835 -2.1233 -1.3252
H 2.1707 -3.0566 -1.8840
H 1.9189 -2.3543 -0.2832
C 2.3122 -0.0824 -3.3822
H 2.1850 0.8088 -2.7819
H 2.4135 0.2180 -4.4209
C 3.3710 -1.3047 -1.4659
H 3.3118 -0.4679 -0.7846
H 4.2058 -1.9230 -1.1522
C 3.5696 -0.8315 -2.9130
H 4.4382 -0.1858 -2.9810
H 3.7420 -1.6854 -3.5630
H -2.3838 -2.3593 -2.1330
Li 0.4542 0.0556 -0.4328
C 1.9185 2.4491 -0.1795
H 1.3268 2.4798 -1.0895
C 3.3687 2.8502 -0.4946
H 3.4338 3.8798 -0.8339
H 1.8715 3.3165 1.7982
H 1.2161 4.3822 0.5608
H 0.2801 3.0075 1.1403
O -0.3619 -0.2975 1.1586
C 0.0820 -0.3732 2.3398
O -0.7756 -0.5024 3.3860
C -2.2194 -0.6943 3.2796
C -2.6274 -0.8920 4.7399
H -2.3458 -0.0216 5.3180
H -3.6978 -1.0414 4.8155
H 1.4143 -1.2230 4.6484
C -2.5346 -1.9475 2.4570
H -2.2178 -1.8163 1.4361
H -2.0152 -2.8002 2.8787
H -3.6006 -2.1408 2.4838
C -2.8716 0.5600 2.6967
H -2.5838 1.4248 3.2829
H -2.5505 0.7065 1.6795
H -3.9506 0.4608 2.7259
N 1.3231 -0.3463 2.7133
C 1.7196 -0.3168 4.1446
H 1.2464 0.5227 4.6359
H -2.1160 -1.7540 5.1481
C 2.4957 -0.2400 1.7362
C 3.4931 0.4835 2.6821
H 3.2799 1.5473 2.7335
C 3.2527 -0.1470 4.0837
H 3.6171 0.4537 4.9093
H 3.7325 -1.1181 4.1211
H 4.5194 0.3557 2.3560
H 3.9794 2.7406 0.3937
H 2.8646 -1.2765 1.6709
H 1.9597 1.4432 0.2232
H 3.7875 2.2110 -1.2650
C 1.2788 3.3498 0.8918
83
Frame 50
C -3.5183 0.0509 -2.0603
C -2.0936 -0.3225 -1.5850
N -1.1090 0.7821 -1.7819
C -1.6013 2.0560 -1.1874
C -2.9990 2.4759 -1.6766
C -4.0051 1.3490 -1.3931
H -2.1316 -0.4855 -0.5174
H -3.5430 0.1825 -3.1349
H -4.1865 -0.7689 -1.8154
H -1.6295 1.9155 -0.1155
H -0.8756 2.8279 -1.4016
H -3.2891 3.3860 -1.1619
H -2.9833 2.6934 -2.7390
H -4.0835 1.1993 -0.3207
H -4.9904 1.6131 -1.7616
C -0.6565 0.9563 -3.1837
H 0.1499 1.6767 -3.1778
H -1.4510 1.3674 -3.8027
C -1.6006 -1.6179 -2.2593
C -0.1980 -0.3574 -3.8379
C -1.3319 -1.3845 -3.7505
H -2.2159 -1.0282 -4.2634
H -1.0325 -2.3139 -4.2248
H 0.0189 -0.1370 -4.8794
C -0.3298 -2.2079 -1.6188
H -0.1661 -3.1949 -2.0539
H -0.4676 -2.3284 -0.5530
N 0.8914 -1.3755 -1.8203
C 1.0766 -0.9801 -3.2429
H 1.2697 -1.8868 -3.8233
C 2.0843 -2.1281 -1.3281
H 2.1715 -3.0597 -1.8897
H 1.9198 -2.3622 -0.2868
C 2.3123 -0.0820 -3.3799
H 2.1845 0.8075 -2.7773
H 2.4135 0.2211 -4.4178
C 3.3715 -1.3086 -1.4666
H 3.3115 -0.4733 -0.7834
H 4.2066 -1.9272 -1.1543
C 3.5701 -0.8316 -2.9125
H 4.4384 -0.1853 -2.9786
H 3.7430 -1.6837 -3.5646
H -2.3836 -2.3602 -2.1340
Li 0.4620 0.0493 -0.4257
C 1.9253 2.4641 -0.1792
H 1.3326 2.4908 -1.0887
C 3.3736 2.8698 -0.4974
H 3.4337 3.8983 -0.8410
H 1.8762 3.3362 1.7967
H 1.2188 4.3972 0.5563
H 0.2855 3.0221 1.1391
O -0.3668 -0.3006 1.1607
C 0.0780 -0.3764 2.3415
O -0.7786 -0.5010 3.3888
C -2.2224 -0.6939 3.2822
C -2.6308 -0.8912 4.7424
H -2.3500 -0.0205 5.3204
H -3.7011 -1.0412 4.8176
H 1.4181 -1.2254 4.6492
C -2.5365 -1.9475 2.4599
H -2.2198 -1.8165 1.4390
H -2.0164 -2.7996 2.8821
H -3.6023 -2.1418 2.4869
C -2.8749 0.5600 2.6985
H -2.5876 1.4251 3.2845
H -2.5533 0.7061 1.6814
H -3.9538 0.4604 2.7272
N 1.3199 -0.3529 2.7126
C 1.7197 -0.3194 4.1427
H 1.2454 0.5198 4.6334
H -2.1191 -1.7529 5.1510
C 2.4889 -0.2487 1.7317
C 3.4892 0.4781 2.6723
H 3.2765 1.5424 2.7194
C 3.2523 -0.1459 4.0777
H 3.6168 0.4606 4.8992
H 3.7349 -1.1155 4.1199
H 4.5146 0.3484 2.3443
H 3.9862 2.7669 0.3905
H 2.8582 -1.2850 1.6672
H 1.9677 1.4585 0.2240
H 3.7942 2.2293 -1.2658
C 1.2836 3.3658 0.8900
83
Frame 51
C -3.5167 0.0501 -2.0596
C -2.0921 -0.3240 -1.5843
N -1.1071 0.7803 -1.7803
C -1.5991 2.0538 -1.1849
C -2.9965 2.4747 -1.6744
C -4.0033 1.3482 -1.3921
H -2.1301 -0.4878 -0.5168
H -3.5413 0.1820 -3.1341
H -4.1852 -0.7696 -1.8150
H -1.6277 1.9123 -0.1131
H -0.8731 2.8256 -1.3983
H -3.2864 3.3846 -1.1593
H -2.9802 2.6928 -2.7367
H -4.0824 1.1979 -0.3198
H -4.9883 1.6128 -1.7610
C -0.6555 0.9556 -3.1822
H 0.1509 1.6760 -3.1762
H -1.4502 1.3670 -3.8006
C -1.5999 -1.6192 -2.2597
C -0.1972 -0.3576 -3.8373
C -1.3312 -1.3847 -3.7508
H -2.2152 -1.0279 -4.2634
H -1.0319 -2.3138 -4.2257
H 0.0199 -0.1366 -4.8786
C -0.3294 -2.2105 -1.6200
H -0.1664 -3.1972 -2.0560
H -0.4674 -2.3320 -0.5542
N 0.8922 -1.3788 -1.8207
C 1.0773 -0.9807 -3.2426
H 1.2711 -1.8864 -3.8245
C 2.0851 -2.1329 -1.3311
H 2.1723 -3.0629 -1.8955
H 1.9209 -2.3704 -0.2905
C 2.3125 -0.0817 -3.3775
H 2.1842 0.8063 -2.7726
H 2.4135 0.2241 -4.4146
C 3.3721 -1.3127 -1.4674
H 3.3114 -0.4790 -0.7824
H 4.2075 -1.9317 -1.1565
C 3.5706 -0.8318 -2.9120
H 4.4386 -0.1849 -2.9762
H 3.7441 -1.6821 -3.5664
H -2.3834 -2.3612 -2.1351
Li 0.4704 0.0430 -0.4182
C 1.9321 2.4787 -0.1787
H 1.3384 2.5015 -1.0876
C 3.3785 2.8890 -0.5001
H 3.4337 3.9162 -0.8483
H 1.8810 3.3561 1.7952
H 1.2213 4.4120 0.5518
H 0.2910 3.0363 1.1382
O -0.3721 -0.3038 1.1628
C 0.0737 -0.3795 2.3431
O -0.7817 -0.4998 3.3916
C -2.2255 -0.6935 3.2849
C -2.6342 -0.8904 4.7450
H -2.3540 -0.0193 5.3228
H -3.7045 -1.0408 4.8200
H 1.4220 -1.2276 4.6495
C -2.5387 -1.9477 2.4631
H -2.2222 -1.8169 1.4422
H -2.0180 -2.7992 2.8856
H -3.6043 -2.1427 2.4903
C -2.8782 0.5599 2.7004
H -2.5915 1.4254 3.2861
H -2.5563 0.7056 1.6834
H -3.9572 0.4599 2.7288
N 1.3164 -0.3589 2.7117
C 1.7200 -0.3218 4.1405
H 1.2450 0.5171 4.6310
H -2.1223 -1.7517 5.1542
C 2.4817 -0.2564 1.7269
C 3.4850 0.4732 2.6622
H 3.2729 1.5376 2.7057
C 3.2521 -0.1450 4.0710
H 3.6170 0.4663 4.8886
H 3.7370 -1.1133 4.1170
H 4.5095 0.3418 2.3320
H 3.9928 2.7930 0.3875
H 2.8513 -1.2925 1.6627
H 1.9760 1.4735 0.2248
H 3.8010 2.2470 -1.2663
C 1.2884 3.3816 0.8884
83
Frame 52
C -3.5150 0.0494 -2.0588
C -2.0905 -0.3256 -1.5835
N -1.1051 0.7784 -1.7787
C -1.5968 2.0515 -1.1823
C -2.9939 2.4735 -1.6721
C -4.0014 1.3473 -1.3909
H -2.1285 -0.4901 -0.5162
H -3.5395 0.1817 -3.1333
H -4.1838 -0.7703 -1.8147
H -1.6257 1.9091 -0.1107
H -0.8704 2.8232 -1.3949
H -3.2836 3.3832 -1.1565
H -2.9771 2.6924 -2.7342
H -4.0811 1.1965 -0.3188
H -4.9861 1.6126 -1.7602
C -0.6543 0.9549 -3.1806
H 0.1520 1.6753 -3.1746
H -1.4493 1.3666 -3.7984
C -1.5991 -1.6205 -2.2601
C -0.1963 -0.3578 -3.8366
C -1.3304 -1.3849 -3.7510
H -2.2143 -1.0276 -4.2634
H -1.0312 -2.3136 -4.2266
H 0.0210 -0.1362 -4.8777
C -0.3290 -2.2131 -1.6210
H -0.1667 -3.1995 -2.0580
H -0.4671 -2.3355 -0.5554
N 0.8932 -1.3820 -1.8210
C 1.0780 -0.9813 -3.2423
H 1.2726 -1.8858 -3.8257
C 2.0860 -2.1379 -1.3342
H 2.1731 -3.0660 -1.9015
H 1.9221 -2.3788 -0.2943
C 2.3128 -0.0813 -3.3751
H 2.1841 0.8050 -2.7679
H 2.4137 0.2272 -4.4114
C 3.3728 -1.3170 -1.4683
H 3.3114 -0.4848 -0.7815
H 4.2085 -1.9363 -1.1589
C 3.5713 -0.8321 -2.9115
H 4.4390 -0.1846 -2.9739
H 3.7452 -1.6805 -3.5682
H -2.3830 -2.3621 -2.1360
Li 0.4792 0.0365 -0.4103
C 1.9389 2.4932 -0.1781
H 1.3442 2.5120 -1.0865
C 3.3834 2.9078 -0.5027
H 3.4337 3.9336 -0.8555
H 1.8860 3.3761 1.7937
H 1.2235 4.4265 0.5472
H 0.2967 3.0503 1.1376
O -0.3776 -0.3070 1.1649
C 0.0691 -0.3824 2.3447
O -0.7850 -0.4988 3.3943
C -2.2289 -0.6931 3.2878
C -2.6376 -0.8895 4.7479
H -2.3579 -0.0181 5.3253
H -3.7079 -1.0403 4.8226
H 1.4257 -1.2298 4.6494
C -2.5413 -1.9479 2.4665
H -2.2250 -1.8174 1.4455
H -2.0199 -2.7990 2.8894
H -3.6067 -2.1437 2.4940
C -2.8817 0.5598 2.7024
H -2.5954 1.4256 3.2878
H -2.5595 0.7049 1.6853
H -3.9606 0.4595 2.7305
N 1.3127 -0.3645 2.7107
C 1.7202 -0.3242 4.1380
H 1.2450 0.5145 4.6285
H -2.1255 -1.7504 5.1575
C 2.4741 -0.2633 1.7217
C 3.4805 0.4687 2.6518
H 3.2688 1.5334 2.6923
C 3.2520 -0.1446 4.0637
H 3.6178 0.4711 4.8778
H 3.7390 -1.1116 4.1127
H 4.5040 0.3360 2.3191
H 3.9993 2.8188 0.3846
H 2.8440 -1.2993 1.6575
H 1.9839 1.4885 0.2263
H 3.8077 2.2642 -1.2664
C 1.2932 3.3973 0.8868
83
Frame 53
C -3.5133 0.0486 -2.0579
C -2.0888 -0.3271 -1.5827
N -1.1031 0.7766 -1.7771
C -1.5943 2.0493 -1.1796
C -2.9912 2.4723 -1.6696
C -3.9994 1.3464 -1.3896
H -2.1267 -0.4924 -0.5156
H -3.5377 0.1814 -3.1324
H -4.1824 -0.7709 -1.8142
H -1.6235 1.9057 -0.1081
H -0.8677 2.8209 -1.3913
H -3.2807 3.3818 -1.1534
H -2.9739 2.6920 -2.7315
H -4.0797 1.1951 -0.3176
H -4.9837 1.6124 -1.7593
C -0.6531 0.9542 -3.1790
H 0.1532 1.6747 -3.1730
H -1.4484 1.3663 -3.7963
C -1.5983 -1.6217 -2.2604
C -0.1954 -0.3580 -3.8359
C -1.3295 -1.3851 -3.7511
H -2.2133 -1.0273 -4.2633
H -1.0304 -2.3135 -4.2275
H 0.0221 -0.1357 -4.8769
C -0.3284 -2.2156 -1.6220
H -0.1669 -3.2017 -2.0598
H -0.4667 -2.3389 -0.5564
N 0.8943 -1.3852 -1.8213
C 1.0789 -0.9818 -3.2419
H 1.2741 -1.8853 -3.8268
C 2.0870 -2.1429 -1.3373
H 2.1740 -3.0692 -1.9077
H 1.9235 -2.3874 -0.2982
C 2.3133 -0.0810 -3.3727
H 2.1841 0.8037 -2.7631
H 2.4139 0.2302 -4.4082
C 3.3737 -1.3213 -1.4693
H 3.3117 -0.4906 -0.7806
H 4.2096 -1.9410 -1.1613
C 3.5720 -0.8325 -2.9111
H 4.4394 -0.1844 -2.9717
H 3.7463 -1.6790 -3.5701
H -2.3825 -2.3630 -2.1369
Li 0.4886 0.0300 -0.4020
C 1.9456 2.5074 -0.1775
H 1.3499 2.5223 -1.0853
C 3.3883 2.9262 -0.5051
H 3.4340 3.9506 -0.8627
H 1.8911 3.3960 1.7922
H 1.2255 4.4407 0.5427
H 0.3025 3.0638 1.1372
O -0.3833 -0.3102 1.1669
C 0.0644 -0.3853 2.3462
O -0.7883 -0.4981 3.3970
C -2.2323 -0.6929 3.2907
C -2.6411 -0.8886 4.7508
H -2.3616 -0.0168 5.3278
H -3.7113 -1.0396 4.8255
H 1.4295 -1.2319 4.6490
C -2.5441 -1.9483 2.4701
H -2.2283 -1.8181 1.4489
H -2.0222 -2.7988 2.8933
H -3.6095 -2.1447 2.4980
C -2.8853 0.5595 2.7045
H -2.5992 1.4257 3.2894
H -2.5630 0.7040 1.6874
H -3.9642 0.4590 2.7325
N 1.3089 -0.3696 2.7095
C 1.7206 -0.3265 4.1353
H 1.2453 0.5121 4.6260
H -2.1288 -1.7492 5.1610
C 2.4660 -0.2695 1.7163
C 3.4759 0.4647 2.6412
H 3.2645 1.5296 2.6793
C 3.2519 -0.1443 4.0559
H 3.6189 0.4749 4.8665
H 3.7409 -1.1103 4.1071
H 4.4983 0.3309 2.3057
H 4.0056 2.8440 0.3821
H 2.8364 -1.3051 1.6516
H 1.9921 1.5031 0.2274
H 3.8145 2.2807 -1.2664
C 1.2980 3.4128 0.8852
83
Frame 54
C -3.5114 0.0479 -2.0570
C -2.0870 -0.3286 -1.5818
N -1.1010 0.7749 -1.7755
C -1.5918 2.0470 -1.1768
C -2.9884 2.4712 -1.6668
C -3.9973 1.3455 -1.3882
H -2.1249 -0.4946 -0.5149
H -3.5358 0.1811 -3.1314
H -4.1809 -0.7715 -1.8137
H -1.6212 1.9022 -0.1055
H -0.8648 2.8185 -1.3877
H -3.2777 3.3804 -1.1501
H -2.9706 2.6917 -2.7286
H -4.0782 1.1936 -0.3163
H -4.9813 1.6122 -1.7582
C -0.6519 0.9535 -3.1773
H 0.1544 1.6740 -3.1714
H -1.4474 1.3660 -3.7942
C -1.5973 -1.6228 -2.2607
C -0.1944 -0.3582 -3.8352
C -1.3286 -1.3853 -3.7512
H -2.2123 -1.0270 -4.2631
H -1.0294 -2.3133 -4.2283
H 0.0233 -0.1353 -4.8759
C -0.3278 -2.2180 -1.6229
H -0.1671 -3.2040 -2.0615
H -0.4663 -2.3421 -0.5574
N 0.8955 -1.3884 -1.8215
C 1.0798 -0.9823 -3.2415
H 1.2757 -1.8847 -3.8279
C 2.0881 -2.1479 -1.3405
H 2.1750 -3.0724 -1.9140
H 1.9249 -2.3961 -0.3022
C 2.3138 -0.0807 -3.3702
H 2.1842 0.8024 -2.7584
H 2.4143 0.2333 -4.4049
C 3.3746 -1.3257 -1.4703
H 3.3121 -0.4965 -0.7798
H 4.2109 -1.9458 -1.1639
C 3.5729 -0.8329 -2.9108
H 4.4400 -0.1843 -2.9695
H 3.7475 -1.6775 -3.5721
H -2.3819 -2.3639 -2.1377
Li 0.4984 0.0234 -0.3934
C 1.9522 2.5214 -0.1769
H 1.3557 2.5325 -1.0842
C 3.3932 2.9440 -0.5073
H 3.4345 3.9668 -0.8697
H 1.8962 3.4155 1.7906
H 1.2275 4.4547 0.5382
H 0.3081 3.0772 1.1369
O -0.3893 -0.3134 1.1689
C 0.0594 -0.3880 2.3477
O -0.7917 -0.4975 3.3997
C -2.2359 -0.6928 3.2937
C -2.6445 -0.8877 4.7539
H -2.3653 -0.0154 5.3304
H -3.7147 -1.0388 4.8287
H 1.4331 -1.2339 4.6482
C -2.5473 -1.9488 2.4738
H -2.2319 -1.8190 1.4525
H -2.0248 -2.7988 2.8974
H -3.6125 -2.1457 2.5023
C -2.8889 0.5592 2.7066
H -2.6031 1.4258 3.2910
H -2.5666 0.7030 1.6895
H -3.9678 0.4585 2.7346
N 1.3048 -0.3743 2.7081
C 1.7210 -0.3286 4.1323
H 1.2460 0.5098 4.6235
H -2.1320 -1.7479 5.1646
C 2.4577 -0.2750 1.7105
C 3.4710 0.4611 2.6303
H 3.2598 1.5260 2.6663
C 3.2519 -0.1444 4.0475
H 3.6205 0.4780 4.8549
H 3.7425 -1.1093 4.1003
H 4.4923 0.3264 2.2918
H 4.0118 2.8686 0.3794
H 2.8284 -1.3104 1.6451
H 1.9996 1.5177 0.2290
H 3.8211 2.2968 -1.2661
C 1.3028 3.4280 0.8838
83
Frame 55
C -3.5095 0.0472 -2.0560
C -2.0852 -0.3300 -1.5810
N -1.0989 0.7731 -1.7739
C -1.5891 2.0447 -1.1740
C -2.9855 2.4701 -1.6640
C -3.9951 1.3446 -1.3867
H -2.1229 -0.4968 -0.5142
H -3.5338 0.1810 -3.1303
H -4.1793 -0.7721 -1.8132
H -1.6187 1.8987 -0.1028
H -0.8618 2.8162 -1.3840
H -3.2745 3.3790 -1.1465
H -2.9674 2.6915 -2.7255
H -4.0766 1.1921 -0.3149
H -4.9788 1.6121 -1.7569
C -0.6506 0.9529 -3.1757
H 0.1557 1.6735 -3.1697
H -1.4463 1.3657 -3.7922
C -1.5962 -1.6240 -2.2609
C -0.1933 -0.3583 -3.8344
C -1.3275 -1.3854 -3.7512
H -2.2112 -1.0266 -4.2629
H -1.0284 -2.3131 -4.2290
H 0.0247 -0.1348 -4.8750
C -0.3271 -2.2204 -1.6237
H -0.1671 -3.2061 -2.0631
H -0.4658 -2.3453 -0.5583
N 0.8968 -1.3915 -1.8217
C 1.0808 -0.9828 -3.2410
H 1.2773 -1.8841 -3.8289
C 2.0893 -2.1530 -1.3437
H 2.1760 -3.0755 -1.9203
H 1.9265 -2.4049 -0.3062
C 2.3144 -0.0804 -3.3678
H 2.1845 0.8010 -2.7536
H 2.4146 0.2363 -4.4017
C 3.3757 -1.3302 -1.4713
H 3.3127 -0.5025 -0.7792
H 4.2123 -1.9507 -1.1665
C 3.5738 -0.8333 -2.9105
H 4.4407 -0.1843 -2.9674
H 3.7487 -1.6761 -3.5741
H -2.3813 -2.3648 -2.1385
Li 0.5087 0.0167 -0.3844
C 1.9586 2.5353 -0.1764
H 1.3613 2.5428 -1.0832
C 3.3980 2.9614 -0.5095
H 3.4353 3.9829 -0.8764
H 1.9013 3.4347 1.7891
H 1.2295 4.4685 0.5339
H 0.3138 3.0903 1.1367
O -0.3955 -0.3166 1.1708
C 0.0543 -0.3907 2.3491
O -0.7952 -0.4972 3.4023
C -2.2396 -0.6927 3.2968
C -2.6479 -0.8867 4.7571
H -2.3688 -0.0141 5.3330
H -3.7181 -1.0380 4.8321
H 1.4367 -1.2358 4.6471
C -2.5507 -1.9493 2.4777
H -2.2359 -1.8201 1.4562
H -2.0277 -2.7988 2.9016
H -3.6159 -2.1467 2.5068
C -2.8927 0.5588 2.7088
H -2.6069 1.4259 3.2926
H -2.5704 0.7019 1.6916
H -3.9715 0.4581 2.7370
N 1.3007 -0.3786 2.7066
C 1.7215 -0.3307 4.1291
H 1.2470 0.5076 4.6210
H -2.1353 -1.7466 5.1683
C 2.4491 -0.2799 1.7044
C 3.4659 0.4579 2.6193
H 3.2549 1.5229 2.6538
C 3.2519 -0.1445 4.0387
H 3.6223 0.4805 4.8432
H 3.7441 -1.1087 4.0926
H 4.4860 0.3223 2.2775
H 4.0178 2.8924 0.3771
H 2.8202 -1.3149 1.6381
H 2.0073 1.5319 0.2299
H 3.8277 2.3124 -1.2658
C 1.3075 3.4429 0.8823
83
Frame 56
C -3.5076 0.0465 -2.0549
C -2.0833 -0.3314 -1.5801
N -1.0968 0.7715 -1.7724
C -1.5864 2.0424 -1.1711
C -2.9826 2.4690 -1.6610
C -3.9928 1.3438 -1.3850
H -2.1208 -0.4989 -0.5134
H -3.5318 0.1809 -3.1292
H -4.1777 -0.7727 -1.8126
H -1.6161 1.8952 -0.1001
H -0.8588 2.8139 -1.3802
H -3.2714 3.3775 -1.1428
H -2.9641 2.6914 -2.7223
H -4.0748 1.1905 -0.3134
H -4.9763 1.6119 -1.7555
C -0.6492 0.9524 -3.1741
H 0.1570 1.6729 -3.1681
H -1.4451 1.3654 -3.7902
C -1.5951 -1.6251 -2.2610
C -0.1921 -0.3585 -3.8336
C -1.3264 -1.3855 -3.7512
H -2.2100 -1.0263 -4.2627
H -1.0273 -2.3130 -4.2296
H 0.0260 -0.1344 -4.8740
C -0.3263 -2.2227 -1.6244
H -0.1671 -3.2083 -2.0646
H -0.4652 -2.3484 -0.5592
N 0.8982 -1.3946 -1.8218
C 1.0818 -0.9833 -3.2405
H 1.2789 -1.8835 -3.8298
C 2.0906 -2.1581 -1.3469
H 2.1770 -3.0786 -1.9267
H 1.9282 -2.4138 -0.3103
C 2.3151 -0.0801 -3.3654
H 2.1849 0.7997 -2.7488
H 2.4151 0.2393 -4.3984
C 3.3770 -1.3348 -1.4724
H 3.3136 -0.5085 -0.7785
H 4.2138 -1.9557 -1.1693
C 3.5748 -0.8339 -2.9102
H 4.4415 -0.1844 -2.9654
H 3.7499 -1.6747 -3.5761
H -2.3805 -2.3656 -2.1392
Li 0.5194 0.0100 -0.3750
C 1.9650 2.5489 -0.1759
H 1.3670 2.5531 -1.0822
C 3.4028 2.9783 -0.5115
H 3.4362 3.9983 -0.8826
H 1.9063 3.4535 1.7875
H 1.2314 4.4819 0.5297
H 0.3194 3.1031 1.1365
O -0.4018 -0.3197 1.1727
C 0.0491 -0.3933 2.3505
O -0.7988 -0.4970 3.4049
C -2.2434 -0.6928 3.2999
C -2.6513 -0.8858 4.7604
H -2.3723 -0.0127 5.3357
H -3.7215 -1.0371 4.8357
H 1.4403 -1.2376 4.6457
C -2.5544 -1.9500 2.4817
H -2.2401 -1.8212 1.4600
H -2.0309 -2.7990 2.9059
H -3.6194 -2.1477 2.5115
C -2.8965 0.5583 2.7111
H -2.6106 1.4259 3.2943
H -2.5743 0.7006 1.6937
H -3.9753 0.4576 2.7395
N 1.2964 -0.3826 2.7049
C 1.7220 -0.3327 4.1257
H 1.2483 0.5056 4.6184
H -2.1387 -1.7454 5.1721
C 2.4403 -0.2842 1.6982
C 3.4607 0.4550 2.6080
H 3.2497 1.5200 2.6413
C 3.2520 -0.1449 4.0294
H 3.6244 0.4826 4.8312
H 3.7454 -1.1083 4.0839
H 4.4795 0.3188 2.2629
H 4.0236 2.9155 0.3749
H 2.8118 -1.3190 1.6307
H 2.0144 1.5461 0.2312
H 3.8342 2.3277 -1.2654
C 1.3122 3.4575 0.8809
83
Frame 57
C -3.5056 0.0459 -2.0538
C -2.0813 -0.3328 -1.5791
N -1.0946 0.7699 -1.7709
C -1.5836 2.0401 -1.1682
C -2.9796 2.4679 -1.6579
C -3.9905 1.3429 -1.3832
H -2.1186 -0.5009 -0.5127
H -3.5298 0.1809 -3.1280
H -4.1760 -0.7732 -1.8120
H -1.6134 1.8916 -0.0974
H -0.8557 2.8116 -1.3765
H -3.2682 3.3761 -1.1389
H -2.9608 2.6914 -2.7190
H -4.0730 1.1889 -0.3117
H -4.9737 1.6118 -1.7539
C -0.6479 0.9518 -3.1725
H 0.1584 1.6724 -3.1664
H -1.4439 1.3652 -3.7883
C -1.5939 -1.6262 -2.2611
C -0.1909 -0.3585 -3.8327
C -1.3251 -1.3856 -3.7511
H -2.2087 -1.0260 -4.2624
H -1.0261 -2.3128 -4.2302
H 0.0275 -0.1340 -4.8730
C -0.3255 -2.2250 -1.6251
H -0.1669 -3.2103 -2.0660
H -0.4646 -2.3513 -0.5599
N 0.8997 -1.3977 -1.8219
C 1.0829 -0.9837 -3.2399
H 1.2806 -1.8829 -3.8307
C 2.0920 -2.1632 -1.3502
H 2.1781 -3.0818 -1.9331
H 1.9300 -2.4227 -0.3145
C 2.3159 -0.0798 -3.3629
H 2.1854 0.7983 -2.7441
H 2.4156 0.2422 -4.3951
C 3.3783 -1.3394 -1.4736
H 3.3145 -0.5146 -0.7780
H 4.2153 -1.9608 -1.1721
C 3.5758 -0.8344 -2.9100
H 4.4424 -0.1846 -2.9634
H 3.7511 -1.6734 -3.5782
H -2.3796 -2.3664 -2.1398
Li 0.5306 0.0031 -0.3652
C 1.9712 2.5624 -0.1756
H 1.3725 2.5637 -1.0815
C 3.4076 2.9948 -0.5134
H 3.4375 4.0135 -0.8886
H 1.9113 3.4717 1.7859
H 1.2335 4.4952 0.5259
H 0.3250 3.1157 1.1363
O -0.4083 -0.3229 1.1745
C 0.0437 -0.3959 2.3518
O -0.8024 -0.4971 3.4075
C -2.2472 -0.6929 3.3032
C -2.6548 -0.8848 4.7639
H -2.3756 -0.0113 5.3385
H -3.7249 -1.0361 4.8394
H 1.4439 -1.2393 4.6441
C -2.5582 -1.9507 2.4859
H -2.2445 -1.8225 1.4639
H -2.0343 -2.7993 2.9104
H -3.6232 -2.1487 2.5164
C -2.9003 0.5578 2.7135
H -2.6143 1.4258 3.2959
H -2.5784 0.6993 1.6959
H -3.9792 0.4572 2.7422
N 1.2919 -0.3864 2.7032
C 1.7225 -0.3345 4.1221
H 1.2497 0.5037 4.6158
H -2.1420 -1.7441 5.1760
C 2.4312 -0.2882 1.6917
C 3.4552 0.4524 2.5966
H 3.2444 1.5175 2.6290
C 3.2521 -0.1453 4.0198
H 3.6268 0.4840 4.8190
H 3.7467 -1.1081 4.0745
H 4.4728 0.3158 2.2479
H 4.0293 2.9376 0.3729
H 2.8032 -1.3226 1.6229
H 2.0214 1.5599 0.2318
H 3.8406 2.3426 -1.2651
C 1.3168 3.4719 0.8796
83
Frame 58
C -3.5036 0.0452 -2.0527
C -2.0793 -0.3340 -1.5782
N -1.0925 0.7683 -1.7695
C -1.5808 2.0379 -1.1653
C -2.9766 2.4669 -1.6546
C -3.9881 1.3421 -1.3813
H -2.1163 -0.5028 -0.5119
H -3.5278 0.1809 -3.1268
H -4.1743 -0.7737 -1.8113
H -1.6105 1.8880 -0.0947
H -0.8526 2.8093 -1.3728
H -3.2649 3.3747 -1.1348
H -2.9575 2.6914 -2.7155
H -4.0710 1.1873 -0.3100
H -4.9710 1.6117 -1.7522
C -0.6464 0.9514 -3.1709
H 0.1598 1.6720 -3.1648
H -1.4426 1.3650 -3.7865
C -1.5926 -1.6272 -2.2611
C -0.1896 -0.3586 -3.8318
C -1.3239 -1.3857 -3.7510
H -2.2074 -1.0257 -4.2620
H -1.0249 -2.3125 -4.2308
H 0.0291 -0.1336 -4.8719
C -0.3245 -2.2271 -1.6256
H -0.1668 -3.2123 -2.0672
H -0.4639 -2.3541 -0.5606
N 0.9013 -1.4007 -1.8219
C 1.0841 -0.9841 -3.2393
H 1.2823 -1.8823 -3.8315
C 2.0934 -2.1683 -1.3535
H 2.1792 -3.0848 -1.9396
H 1.9319 -2.4316 -0.3186
C 2.3167 -0.0796 -3.3605
H 2.1861 0.7970 -2.7394
H 2.4162 0.2451 -4.3919
C 3.3797 -1.3440 -1.4747
H 3.3157 -0.5207 -0.7775
H 4.2170 -1.9659 -1.1749
C 3.5770 -0.8350 -2.9098
H 4.4434 -0.1849 -2.9615
H 3.7524 -1.6722 -3.5804
H -2.3787 -2.3671 -2.1403
Li 0.5422 -0.0039 -0.3550
C 1.9772 2.5757 -0.1754
H 1.3781 2.5743 -1.0809
C 3.4124 3.0109 -0.5152
H 3.4391 4.0281 -0.8941
H 1.9163 3.4894 1.7844
H 1.2356 4.5082 0.5222
H 0.3304 3.1281 1.1361
O -0.4149 -0.3261 1.1764
C 0.0382 -0.3983 2.3531
O -0.8061 -0.4972 3.4101
C -2.2511 -0.6930 3.3065
C -2.6582 -0.8839 4.7674
H -2.3788 -0.0100 5.3413
H -3.7282 -1.0350 4.8434
H 1.4474 -1.2409 4.6423
C -2.5623 -1.9515 2.4901
H -2.2492 -1.8239 1.4679
H -2.0380 -2.7997 2.9150
H -3.6272 -2.1496 2.5214
C -2.9041 0.5573 2.7160
H -2.6179 1.4257 3.2976
H -2.5826 0.6978 1.6982
H -3.9830 0.4568 2.7451
N 1.2874 -0.3899 2.7013
C 1.7230 -0.3363 4.1183
H 1.2514 0.5019 4.6131
H -2.1453 -1.7429 5.1801
C 2.4219 -0.2917 1.6851
C 3.4497 0.4501 2.5851
H 3.2387 1.5152 2.6168
C 3.2521 -0.1458 4.0099
H 3.6293 0.4853 4.8065
H 3.7479 -1.1080 4.0643
H 4.4659 0.3131 2.2327
H 4.0348 2.9590 0.3709
H 2.7944 -1.3258 1.6148
H 2.0280 1.5735 0.2322
H 3.8469 2.3573 -1.2648
C 1.3214 3.4859 0.8782
83
Frame 59
C -3.5015 0.0447 -2.0515
C -2.0772 -0.3353 -1.5773
N -1.0905 0.7668 -1.7682
C -1.5779 2.0357 -1.1624
C -2.9736 2.4660 -1.6513
C -3.9856 1.3413 -1.3793
H -2.1139 -0.5046 -0.5111
H -3.5257 0.1810 -3.1255
H -4.1726 -0.7742 -1.8106
H -1.6075 1.8844 -0.0920
H -0.8495 2.8071 -1.3690
H -3.2616 3.3733 -1.1306
H -2.9543 2.6916 -2.7120
H -4.0690 1.1857 -0.3082
H -4.9684 1.6116 -1.7503
C -0.6450 0.9509 -3.1694
H 0.1613 1.6716 -3.1632
H -1.4413 1.3648 -3.7847
C -1.5913 -1.6281 -2.2611
C -0.1882 -0.3586 -3.8309
C -1.3225 -1.3858 -3.7509
H -2.2060 -1.0253 -4.2616
H -1.0236 -2.3123 -4.2312
H 0.0307 -0.1332 -4.8709
C -0.3235 -2.2292 -1.6261
H -0.1665 -3.2143 -2.0683
H -0.4631 -2.3568 -0.5611
N 0.9029 -1.4036 -1.8218
C 1.0854 -0.9845 -3.2386
H 1.2840 -1.8816 -3.8322
C 2.0949 -2.1733 -1.3568
H 2.1804 -3.0879 -1.9461
H 1.9338 -2.4406 -0.3228
C 2.3177 -0.0793 -3.3580
H 2.1869 0.7956 -2.7346
H 2.4168 0.2480 -4.3886
C 3.3813 -1.3487 -1.4760
H 3.3170 -0.5267 -0.7771
H 4.2188 -1.9711 -1.1779
C 3.5782 -0.8357 -2.9097
H 4.4445 -0.1852 -2.9596
H 3.7537 -1.6710 -3.5825
H -2.3776 -2.3678 -2.1408
Li 0.5542 -0.0110 -0.3445
C 1.9831 2.5889 -0.1754
H 1.3835 2.5852 -1.0806
C 3.4172 3.0266 -0.5169
H 3.4409 4.0427 -0.8991
H 1.9211 3.5064 1.7829
H 1.2379 4.5211 0.5188
H 0.3358 3.1403 1.1357
O -0.4215 -0.3292 1.1781
C 0.0326 -0.4008 2.3544
O -0.8098 -0.4976 3.4126
C -2.2551 -0.6933 3.3099
C -2.6615 -0.8829 4.7710
H -2.3819 -0.0086 5.3442
H -3.7316 -1.0339 4.8475
H 1.4510 -1.2424 4.6403
C -2.5665 -1.9523 2.4945
H -2.2541 -1.8254 1.4720
H -2.0418 -2.8002 2.9197
H -3.6314 -2.1506 2.5266
C -2.9080 0.5567 2.7185
H -2.6215 1.4255 3.2994
H -2.5869 0.6962 1.7004
H -3.9869 0.4564 2.7481
N 1.2828 -0.3932 2.6994
C 1.7236 -0.3380 4.1144
H 1.2532 0.5002 4.6103
H -2.1487 -1.7417 5.1842
C 2.4125 -0.2949 1.6784
C 3.4439 0.4481 2.5734
H 3.2329 1.5131 2.6047
C 3.2522 -0.1463 3.9998
H 3.6320 0.4862 4.7939
H 3.7489 -1.1081 4.0537
H 4.4589 0.3108 2.2172
H 4.0402 2.9795 0.3692
H 2.7854 -1.3287 1.6066
H 2.0342 1.5869 0.2323
H 3.8531 2.3717 -1.2645
C 1.3259 3.4997 0.8769
83
Frame 60
C -3.4995 0.0441 -2.0502
C -2.0751 -0.3365 -1.5763
N -1.0884 0.7654 -1.7669
C -1.5750 2.0336 -1.1595
C -2.9706 2.4650 -1.6479
C -3.9832 1.3405 -1.3772
H -2.1115 -0.5063 -0.5103
H -3.5237 0.1811 -3.1242
H -4.1708 -0.7747 -1.8098
H -1.6045 1.8809 -0.0893
H -0.8464 2.8050 -1.3654
H -3.2584 3.3720 -1.1263
H -2.9511 2.6917 -2.7084
H -4.0669 1.1840 -0.3063
H -4.9657 1.6116 -1.7483
C -0.6435 0.9505 -3.1679
H 0.1627 1.6712 -3.1616
H -1.4399 1.3647 -3.7831
C -1.5899 -1.6290 -2.2611
C -0.1868 -0.3587 -3.8300
C -1.3211 -1.3859 -3.7506
H -2.2046 -1.0250 -4.2611
H -1.0222 -2.3121 -4.2317
H 0.0323 -0.1328 -4.8698
C -0.3224 -2.2313 -1.6265
H -0.1662 -3.2162 -2.0694
H -0.4623 -2.3594 -0.5616
N 0.9047 -1.4065 -1.8217
C 1.0867 -0.9848 -3.2379
H 1.2858 -1.8810 -3.8329
C 2.0965 -2.1784 -1.3600
H 2.1815 -3.0909 -1.9526
H 1.9359 -2.4496 -0.3270
C 2.3187 -0.0791 -3.3556
H 2.1878 0.7942 -2.7299
H 2.4175 0.2508 -4.3854
C 3.3829 -1.3534 -1.4772
H 3.3185 -0.5328 -0.7768
H 4.2206 -1.9763 -1.1809
C 3.5794 -0.8364 -2.9096
H 4.4457 -0.1857 -2.9578
H 3.7550 -1.6698 -3.5847
H -2.3765 -2.3685 -2.1412
Li 0.5664 -0.0181 -0.3337
C 1.9889 2.6020 -0.1756
H 1.3890 2.5961 -1.0805
C 3.4219 3.0419 -0.5184
H 3.4431 4.0568 -0.9037
H 1.9258 3.5229 1.7815
H 1.2403 4.5337 0.5156
H 0.3410 3.1524 1.1352
O -0.4283 -0.3324 1.1799
C 0.0269 -0.4032 2.3557
O -0.8135 -0.4980 3.4151
C -2.2592 -0.6936 3.3133
C -2.6649 -0.8820 4.7747
H -2.3850 -0.0072 5.3471
H -3.7350 -1.0328 4.8517
H 1.4545 -1.2438 4.6382
C -2.5709 -1.9532 2.4989
H -2.2591 -1.8269 1.4762
H -2.0459 -2.8007 2.9244
H -3.6357 -2.1515 2.5319
C -2.9120 0.5561 2.7211
H -2.6250 1.4254 3.3011
H -2.5913 0.6946 1.7028
H -3.9908 0.4560 2.7513
N 1.2781 -0.3963 2.6974
C 1.7242 -0.3396 4.1104
H 1.2551 0.4987 4.6075
H -2.1520 -1.7405 5.1884
C 2.4029 -0.2978 1.6715
C 3.4381 0.4462 2.5616
H 3.2268 1.5112 2.5927
C 3.2522 -0.1469 3.9893
H 3.6348 0.4869 4.7811
H 3.7499 -1.1082 4.0424
H 4.4516 0.3089 2.2015
H 4.0454 2.9991 0.3675
H 2.7763 -1.3312 1.5982
H 2.0403 1.6002 0.2320
H 3.8592 2.3858 -1.2643
C 1.3304 3.5132 0.8756
83
Frame 61
C -3.4974 0.0435 -2.0489
C -2.0730 -0.3376 -1.5754
N -1.0864 0.7641 -1.7658
C -1.5721 2.0315 -1.1566
C -2.9676 2.4641 -1.6445
C -3.9807 1.3397 -1.3751
H -2.1090 -0.5080 -0.5095
H -3.5218 0.1813 -3.1228
H -4.1690 -0.7751 -1.8090
H -1.6013 1.8773 -0.0866
H -0.8432 2.8029 -1.3617
H -3.2551 3.3706 -1.1219
H -2.9480 2.6920 -2.7047
H -4.0647 1.1823 -0.3043
H -4.9630 1.6115 -1.7461
C -0.6421 0.9502 -3.1664
H 0.1642 1.6709 -3.1601
H -1.4384 1.3645 -3.7816
C -1.5884 -1.6299 -2.2610
C -0.1854 -0.3587 -3.8290
C -1.3196 -1.3859 -3.7504
H -2.2031 -1.0247 -4.2607
H -1.0208 -2.3119 -4.2320
H 0.0341 -0.1325 -4.8687
C -0.3213 -2.2332 -1.6268
H -0.1659 -3.2180 -2.0703
H -0.4615 -2.3619 -0.5621
N 0.9065 -1.4094 -1.8215
C 1.0880 -0.9851 -3.2371
H 1.2876 -1.8803 -3.8334
C 2.0982 -2.1834 -1.3633
H 2.1827 -3.0938 -1.9591
H 1.9380 -2.4585 -0.3312
C 2.3198 -0.0788 -3.3531
H 2.1888 0.7929 -2.7252
H 2.4182 0.2536 -4.3821
C 3.3846 -1.3581 -1.4785
H 3.3201 -0.5389 -0.7765
H 4.2225 -1.9816 -1.1839
C 3.5808 -0.8372 -2.9095
H 4.4469 -0.1862 -2.9561
H 3.7563 -1.6687 -3.5869
H -2.3754 -2.3692 -2.1416
Li 0.5790 -0.0254 -0.3225
C 1.9945 2.6149 -0.1759
H 1.3943 2.6075 -1.0806
C 3.4267 3.0568 -0.5199
H 3.4454 4.0708 -0.9079
H 1.9306 3.5387 1.7801
H 1.2430 4.5463 0.5127
H 0.3461 3.1643 1.1346
O -0.4350 -0.3356 1.1816
C 0.0211 -0.4056 2.3569
O -0.8173 -0.4986 3.4176
C -2.2633 -0.6939 3.3168
C -2.6682 -0.8811 4.7785
H -2.3879 -0.0059 5.3501
H -3.7383 -1.0316 4.8561
H 1.4581 -1.2451 4.6359
C -2.5754 -1.9541 2.5034
H -2.2644 -1.8286 1.4804
H -2.0502 -2.8014 2.9293
H -3.6402 -2.1524 2.5373
C -2.9159 0.5554 2.7238
H -2.6284 1.4251 3.3029
H -2.5957 0.6929 1.7052
H -3.9948 0.4556 2.7547
N 1.2733 -0.3992 2.6954
C 1.7248 -0.3411 4.1063
H 1.2571 0.4972 4.6047
H -2.1553 -1.7394 5.1926
C 2.3933 -0.3006 1.6646
C 3.4321 0.4446 2.5496
H 3.2206 1.5094 2.5806
C 3.2523 -0.1474 3.9787
H 3.6378 0.4874 4.7682
H 3.7508 -1.1083 4.0308
H 4.4442 0.3072 2.1855
H 4.0505 3.0180 0.3660
H 2.7672 -1.3337 1.5898
H 2.0458 1.6132 0.2314
H 3.8652 2.3998 -1.2642
C 1.3349 3.5265 0.8743
83
Frame 62
C -3.4953 0.0430 -2.0476
C -2.0709 -0.3387 -1.5745
N -1.0844 0.7629 -1.7647
C -1.5692 2.0294 -1.1538
C -2.9646 2.4633 -1.6410
C -3.9782 1.3389 -1.3729
H -2.1064 -0.5095 -0.5088
H -3.5198 0.1815 -3.1214
H -4.1672 -0.7756 -1.8081
H -1.5981 1.8738 -0.0840
H -0.8400 2.8008 -1.3582
H -3.2519 3.3693 -1.1173
H -2.9450 2.6923 -2.7009
H -4.0625 1.1807 -0.3022
H -4.9604 1.6114 -1.7438
C -0.6406 0.9499 -3.1650
H 0.1657 1.6706 -3.1586
H -1.4369 1.3644 -3.7802
C -1.5869 -1.6307 -2.2609
C -0.1839 -0.3587 -3.8280
C -1.3181 -1.3860 -3.7501
H -2.2015 -1.0243 -4.2601
H -1.0192 -2.3116 -4.2323
H 0.0359 -0.1321 -4.8677
C -0.3201 -2.2351 -1.6271
H -0.1655 -3.2198 -2.0711
H -0.4606 -2.3643 -0.5624
N 0.9083 -1.4122 -1.8212
C 1.0894 -0.9853 -3.2363
H 1.2895 -1.8796 -3.8340
C 2.0998 -2.1883 -1.3666
H 2.1839 -3.0967 -1.9656
H 1.9403 -2.4675 -0.3354
C 2.3209 -0.0786 -3.3506
H 2.1899 0.7915 -2.7205
H 2.4190 0.2565 -4.3789
C 3.3864 -1.3629 -1.4798
H 3.3220 -0.5451 -0.7762
H 4.2245 -1.9870 -1.1870
C 3.5822 -0.8379 -2.9094
H 4.4482 -0.1868 -2.9544
H 3.7576 -1.6676 -3.5892
H -2.3742 -2.3698 -2.1419
Li 0.5916 -0.0328 -0.3112
C 2.0000 2.6278 -0.1764
H 1.3996 2.6190 -1.0810
C 3.4315 3.0715 -0.5213
H 3.4482 4.0846 -0.9116
H 1.9350 3.5540 1.7787
H 1.2458 4.5586 0.5101
H 0.3512 3.1762 1.1338
O -0.4418 -0.3388 1.1833
C 0.0153 -0.4080 2.3581
O -0.8211 -0.4993 3.4201
C -2.2674 -0.6943 3.3203
C -2.6716 -0.8802 4.7824
H -2.3908 -0.0046 5.3531
H -3.7416 -1.0304 4.8607
H 1.4615 -1.2465 4.6335
C -2.5801 -1.9551 2.5081
H -2.2697 -1.8303 1.4847
H -2.0547 -2.8021 2.9342
H -3.6449 -2.1533 2.5428
C -2.9199 0.5547 2.7266
H -2.6319 1.4249 3.3048
H -2.6003 0.6911 1.7076
H -3.9988 0.4553 2.7581
N 1.2686 -0.4020 2.6933
C 1.7254 -0.3426 4.1021
H 1.2594 0.4959 4.6018
H -2.1587 -1.7383 5.1969
C 2.3835 -0.3032 1.6576
C 3.4260 0.4431 2.5376
H 3.2141 1.5079 2.5687
C 3.2524 -0.1480 3.9679
H 3.6408 0.4878 4.7550
H 3.7517 -1.1086 4.0187
H 4.4367 0.3058 2.1695
H 4.0555 3.0361 0.3647
H 2.7580 -1.3359 1.5813
H 2.0512 1.6260 0.2303
H 3.8711 2.4136 -1.2641
C 1.3393 3.5395 0.8730
83
Frame 63
C -3.4932 0.0425 -2.0463
C -2.0687 -0.3397 -1.5736
N -1.0825 0.7617 -1.7637
C -1.5662 2.0274 -1.1510
C -2.9617 2.4624 -1.6374
C -3.9757 1.3381 -1.3705
H -2.1038 -0.5110 -0.5080
H -3.5179 0.1817 -3.1199
H -4.1654 -0.7760 -1.8072
H -1.5948 1.8703 -0.0814
H -0.8369 2.7988 -1.3547
H -3.2486 3.3680 -1.1127
H -2.9420 2.6926 -2.6971
H -4.0601 1.1790 -0.3000
H -4.9577 1.6113 -1.7414
C -0.6391 0.9496 -3.1637
H 0.1672 1.6703 -3.1571
H -1.4354 1.3643 -3.7789
C -1.5853 -1.6315 -2.2607
C -0.1823 -0.3586 -3.8271
C -1.3165 -1.3860 -3.7498
H -2.1999 -1.0240 -4.2596
H -1.0177 -2.3114 -4.2326
H 0.0378 -0.1318 -4.8666
C -0.3189 -2.2369 -1.6272
H -0.1650 -3.2215 -2.0718
H -0.4597 -2.3665 -0.5627
N 0.9103 -1.4149 -1.8210
C 1.0908 -0.9856 -3.2355
H 1.2914 -1.8789 -3.8344
C 2.1016 -2.1933 -1.3698
H 2.1851 -3.0996 -1.9721
H 1.9426 -2.4764 -0.3397
C 2.3221 -0.0783 -3.3481
H 2.1912 0.7902 -2.7158
H 2.4199 0.2592 -4.3756
C 3.3883 -1.3677 -1.4812
H 3.3240 -0.5512 -0.7760
H 4.2265 -1.9924 -1.1902
C 3.5836 -0.8387 -2.9094
H 4.4497 -0.1874 -2.9528
H 3.7589 -1.6665 -3.5914
H -2.3729 -2.3704 -2.1422
Li 0.6043 -0.0402 -0.2997
C 2.0054 2.6406 -0.1771
H 1.4050 2.6310 -1.0816
C 3.4362 3.0858 -0.5225
H 3.4511 4.0982 -0.9148
H 1.9397 3.5686 1.7774
H 1.2489 4.5710 0.5077
H 0.3560 3.1880 1.1329
O -0.4487 -0.3421 1.1850
C 0.0095 -0.4104 2.3593
O -0.8249 -0.5002 3.4226
C -2.2716 -0.6948 3.3239
C -2.6749 -0.8793 4.7864
H -2.3936 -0.0033 5.3562
H -3.7449 -1.0291 4.8653
H 1.4653 -1.2476 4.6310
C -2.5849 -1.9561 2.5128
H -2.2753 -1.8321 1.4891
H -2.0593 -2.8028 2.9392
H -3.6497 -2.1542 2.5484
C -2.9239 0.5540 2.7294
H -2.6352 1.4246 3.3067
H -2.6049 0.6893 1.7101
H -4.0028 0.4549 2.7617
N 1.2637 -0.4047 2.6912
C 1.7261 -0.3439 4.0978
H 1.2615 0.4946 4.5988
H -2.1620 -1.7372 5.2013
C 2.3738 -0.3057 1.6506
C 3.4198 0.4417 2.5255
H 3.2075 1.5064 2.5566
C 3.2524 -0.1485 3.9568
H 3.6438 0.4882 4.7419
H 3.7525 -1.1087 4.0064
H 4.4290 0.3047 2.1533
H 4.0604 3.0534 0.3634
H 2.7487 -1.3380 1.5729
H 2.0563 1.6387 0.2288
H 3.8770 2.4274 -1.2642
C 1.3437 3.5523 0.8718
83
Frame 64
C -3.4912 0.0420 -2.0449
C -2.0666 -0.3407 -1.5727
N -1.0806 0.7605 -1.7628
C -1.5633 2.0255 -1.1482
C -2.9587 2.4617 -1.6337
C -3.9731 1.3373 -1.3682
H -2.1012 -0.5124 -0.5072
H -3.5160 0.1820 -3.1185
H -4.1636 -0.7764 -1.8062
H -1.5915 1.8668 -0.0788
H -0.8337 2.7969 -1.3512
H -3.2454 3.3666 -1.1080
H -2.9391 2.6931 -2.6932
H -4.0578 1.1772 -0.2978
H -4.9551 1.6113 -1.7388
C -0.6376 0.9494 -3.1624
H 0.1688 1.6701 -3.1556
H -1.4338 1.3643 -3.7778
C -1.5837 -1.6323 -2.2605
C -0.1807 -0.3586 -3.8261
C -1.3148 -1.3860 -3.7495
H -2.1983 -1.0237 -4.2591
H -1.0160 -2.3111 -4.2328
H 0.0398 -0.1316 -4.8655
C -0.3176 -2.2386 -1.6274
H -0.1645 -3.2231 -2.0724
H -0.4587 -2.3687 -0.5629
N 0.9123 -1.4176 -1.8206
C 1.0923 -0.9858 -3.2346
H 1.2933 -1.8781 -3.8348
C 2.1033 -2.1982 -1.3731
H 2.1862 -3.1024 -1.9786
H 1.9449 -2.4853 -0.3439
C 2.3234 -0.0781 -3.3456
H 2.1925 0.7888 -2.7111
H 2.4208 0.2621 -4.3723
C 3.3902 -1.3725 -1.4826
H 3.3261 -0.5574 -0.7758
H 4.2286 -1.9979 -1.1935
C 3.5851 -0.8396 -2.9094
H 4.4511 -0.1881 -2.9512
H 3.7602 -1.6655 -3.5937
H -2.3715 -2.3710 -2.1425
Li 0.6167 -0.0476 -0.2882
C 2.0107 2.6534 -0.1781
H 1.4103 2.6432 -1.0824
C 3.4411 3.1000 -0.5237
H 3.4544 4.1117 -0.9177
H 1.9440 3.5829 1.7761
H 1.2522 4.5831 0.5056
H 0.3609 3.1997 1.1317
O -0.4555 -0.3454 1.1866
C 0.0036 -0.4129 2.3605
O -0.8287 -0.5011 3.4250
C -2.2758 -0.6953 3.3276
C -2.6782 -0.8784 4.7904
H -2.3963 -0.0020 5.3593
H -3.7482 -1.0278 4.8701
H 1.4689 -1.2486 4.6284
C -2.5899 -1.9571 2.5176
H -2.2810 -1.8340 1.4936
H -2.0641 -2.8036 2.9444
H -3.6547 -2.1550 2.5542
C -2.9279 0.5532 2.7323
H -2.6386 1.4242 3.3086
H -2.6096 0.6875 1.7127
H -4.0069 0.4546 2.7655
N 1.2588 -0.4073 2.6890
C 1.7267 -0.3452 4.0934
H 1.2639 0.4934 4.5958
H -2.1653 -1.7361 5.2058
C 2.3640 -0.3081 1.6435
C 3.4135 0.4405 2.5133
H 3.2006 1.5051 2.5446
C 3.2524 -0.1490 3.9457
H 3.6470 0.4885 4.7284
H 3.7532 -1.1089 3.9937
H 4.4212 0.3038 2.1370
H 4.0653 3.0702 0.3624
H 2.7395 -1.3401 1.5646
H 2.0610 1.6512 0.2270
H 3.8829 2.4410 -1.2643
C 1.3482 3.5650 0.8705
83
Frame 65
C -3.4891 0.0416 -2.0435
C -2.0644 -0.3416 -1.5718
N -1.0787 0.7595 -1.7619
C -1.5603 2.0235 -1.1455
C -2.9558 2.4609 -1.6300
C -3.9706 1.3365 -1.3657
H -2.0985 -0.5137 -0.5064
H -3.5141 0.1823 -3.1170
H -4.1618 -0.7768 -1.8053
H -1.5880 1.8634 -0.0763
H -0.8306 2.7950 -1.3479
H -3.2422 3.3653 -1.1032
H -2.9362 2.6935 -2.6893
H -4.0553 1.1755 -0.2955
H -4.9524 1.6112 -1.7361
C -0.6360 0.9492 -3.1612
H 0.1703 1.6699 -3.1542
H -1.4322 1.3642 -3.7767
C -1.5821 -1.6330 -2.2603
C -0.1790 -0.3585 -3.8251
C -1.3131 -1.3861 -3.7491
H -2.1965 -1.0234 -4.2585
H -1.0143 -2.3109 -4.2330
H 0.0418 -0.1313 -4.8644
C -0.3163 -2.2403 -1.6275
H -0.1639 -3.2248 -2.0730
H -0.4577 -2.3708 -0.5631
N 0.9143 -1.4202 -1.8203
C 1.0939 -0.9859 -3.2336
H 1.2953 -1.8774 -3.8352
C 2.1052 -2.2031 -1.3763
H 2.1874 -3.1052 -1.9850
H 1.9473 -2.4941 -0.3481
C 2.3248 -0.0778 -3.3431
H 2.1939 0.7874 -2.7063
H 2.4217 0.2649 -4.3689
C 3.3922 -1.3774 -1.4840
H 3.3283 -0.5637 -0.7756
H 4.2308 -2.0034 -1.1968
C 3.5867 -0.8404 -2.9094
H 4.4527 -0.1889 -2.9496
H 3.7616 -1.6644 -3.5960
H -2.3701 -2.3715 -2.1427
Li 0.6288 -0.0551 -0.2769
C 2.0159 2.6663 -0.1792
H 1.4156 2.6558 -1.0836
C 3.4459 3.1140 -0.5248
H 3.4579 4.1252 -0.9201
H 1.9485 3.5964 1.7749
H 1.2558 4.5954 0.5038
H 0.3656 3.2115 1.1304
O -0.4623 -0.3488 1.1882
C -0.0023 -0.4153 2.3616
O -0.8326 -0.5021 3.4274
C -2.2801 -0.6958 3.3313
C -2.6814 -0.8775 4.7945
H -2.3990 -0.0007 5.3625
H -3.7515 -1.0265 4.8751
H 1.4725 -1.2497 4.6259
C -2.5950 -1.9582 2.5225
H -2.2868 -1.8359 1.4982
H -2.0691 -2.8045 2.9496
H -3.6598 -2.1558 2.5601
C -2.9320 0.5525 2.7353
H -2.6420 1.4239 3.3106
H -2.6144 0.6856 1.7153
H -4.0109 0.4542 2.7693
N 1.2539 -0.4099 2.6868
C 1.7274 -0.3464 4.0889
H 1.2662 0.4923 4.5927
H -2.1686 -1.7350 5.2104
C 2.3542 -0.3105 1.6365
C 3.4071 0.4394 2.5010
H 3.1936 1.5038 2.5326
C 3.2525 -0.1494 3.9344
H 3.6501 0.4888 4.7151
H 3.7539 -1.1090 3.9809
H 4.4133 0.3031 2.1205
H 4.0701 3.0864 0.3613
H 2.7303 -1.3422 1.5563
H 2.0657 1.6637 0.2246
H 3.8887 2.4547 -1.2645
C 1.3526 3.5775 0.8692
83
Frame 66
C -3.4871 0.0411 -2.0420
C -2.0622 -0.3426 -1.5709
N -1.0769 0.7584 -1.7611
C -1.5573 2.0216 -1.1428
C -2.9528 2.4601 -1.6263
C -3.9680 1.3357 -1.3631
H -2.0958 -0.5150 -0.5057
H -3.5123 0.1826 -3.1155
H -4.1599 -0.7772 -1.8042
H -1.5845 1.8599 -0.0738
H -0.8274 2.7931 -1.3445
H -3.2390 3.3640 -1.0983
H -2.9334 2.6940 -2.6852
H -4.0527 1.1737 -0.2931
H -4.9497 1.6111 -1.7333
C -0.6345 0.9490 -3.1600
H 0.1719 1.6698 -3.1528
H -1.4305 1.3642 -3.7756
C -1.5804 -1.6337 -2.2601
C -0.1773 -0.3584 -3.8241
C -1.3114 -1.3861 -3.7488
H -2.1948 -1.0231 -4.2579
H -1.0125 -2.3106 -4.2331
H 0.0439 -0.1310 -4.8633
C -0.3150 -2.2420 -1.6275
H -0.1634 -3.2264 -2.0735
H -0.4567 -2.3728 -0.5632
N 0.9164 -1.4228 -1.8199
C 1.0955 -0.9861 -3.2327
H 1.2973 -1.8766 -3.8355
C 2.1070 -2.2080 -1.3795
H 2.1885 -3.1080 -1.9914
H 1.9497 -2.5029 -0.3523
C 2.3262 -0.0776 -3.3405
H 2.1954 0.7860 -2.7014
H 2.4228 0.2677 -4.3655
C 3.3943 -1.3823 -1.4854
H 3.3307 -0.5700 -0.7754
H 4.2330 -2.0091 -1.2001
C 3.5883 -0.8413 -2.9094
H 4.4543 -0.1897 -2.9480
H 3.7630 -1.6634 -3.5983
H -2.3687 -2.3720 -2.1429
Li 0.6404 -0.0625 -0.2658
C 2.0211 2.6791 -0.1805
H 1.4210 2.6688 -1.0849
C 3.4509 3.1279 -0.5259
H 3.4617 4.1388 -0.9221
H 1.9527 3.6098 1.7737
H 1.2596 4.6076 0.5022
H 0.3703 3.2233 1.1290
O -0.4692 -0.3523 1.1897
C -0.0082 -0.4178 2.3627
O -0.8365 -0.5032 3.4298
C -2.2844 -0.6964 3.3351
C -2.6847 -0.8766 4.7988
H -2.4015 0.0006 5.3658
H -3.7547 -1.0252 4.8801
H 1.4762 -1.2505 4.6231
C -2.6002 -1.9594 2.5276
H -2.2928 -1.8380 1.5029
H -2.0743 -2.8055 2.9549
H -3.6650 -2.1566 2.5661
C -2.9361 0.5516 2.7384
H -2.6453 1.4235 3.3127
H -2.6192 0.6836 1.7180
H -4.0151 0.4539 2.7734
N 1.2490 -0.4123 2.6846
C 1.7281 -0.3475 4.0844
H 1.2686 0.4913 4.5896
H -2.1719 -1.7340 5.2150
C 2.3445 -0.3129 1.6295
C 3.4007 0.4384 2.4887
H 3.1864 1.5026 2.5205
C 3.2525 -0.1497 3.9231
H 3.6532 0.4892 4.7014
H 3.7546 -1.1091 3.9679
H 4.4053 0.3026 2.1041
H 4.0748 3.1019 0.3606
H 2.7211 -1.3442 1.5484
H 2.0698 1.6761 0.2219
H 3.8946 2.4684 -1.2649
C 1.3571 3.5899 0.8679
83
Frame 67
C -3.4850 0.0407 -2.0406
C -2.0601 -0.3435 -1.5701
N -1.0750 0.7574 -1.7603
C -1.5542 2.0197 -1.1400
C -2.9499 2.4594 -1.6225
C -3.9653 1.3349 -1.3605
H -2.0932 -0.5163 -0.5049
H -3.5105 0.1830 -3.1139
H -4.1581 -0.7776 -1.8032
H -1.5809 1.8565 -0.0713
H -0.8242 2.7912 -1.3412
H -3.2357 3.3627 -1.0933
H -2.9307 2.6946 -2.6811
H -4.0501 1.1718 -0.2906
H -4.9471 1.6110 -1.7303
C -0.6329 0.9489 -3.1588
H 0.1735 1.6696 -3.1514
H -1.4288 1.3641 -3.7746
C -1.5787 -1.6344 -2.2599
C -0.1755 -0.3584 -3.8231
C -1.3095 -1.3861 -3.7484
H -2.1929 -1.0227 -4.2574
H -1.0107 -2.3104 -4.2332
H 0.0460 -0.1308 -4.8621
C -0.3136 -2.2436 -1.6275
H -0.1627 -3.2280 -2.0740
H -0.4556 -2.3749 -0.5633
N 0.9185 -1.4254 -1.8195
C 1.0971 -0.9862 -3.2317
H 1.2994 -1.8757 -3.8358
C 2.1089 -2.2129 -1.3827
H 2.1897 -3.1108 -1.9978
H 1.9522 -2.5116 -0.3564
C 2.3277 -0.0773 -3.3379
H 2.1970 0.7846 -2.6965
H 2.4238 0.2706 -4.3620
C 3.3965 -1.3873 -1.4868
H 3.3333 -0.5764 -0.7752
H 4.2352 -2.0149 -1.2036
C 3.5899 -0.8423 -2.9094
H 4.4561 -0.1906 -2.9464
H 3.7643 -1.6624 -3.6007
H -2.3672 -2.3726 -2.1431
Li 0.6511 -0.0698 -0.2553
C 2.0262 2.6921 -0.1820
H 1.4264 2.6824 -1.0866
C 3.4559 3.1418 -0.5268
H 3.4659 4.1523 -0.9237
H 1.9572 3.6225 1.7725
H 1.2638 4.6200 0.5008
H 0.3749 3.2352 1.1272
O -0.4761 -0.3559 1.1912
C -0.0142 -0.4203 2.3638
O -0.8404 -0.5044 3.4322
C -2.2887 -0.6970 3.3390
C -2.6879 -0.8757 4.8031
H -2.4040 0.0020 5.3691
H -3.7579 -1.0237 4.8854
H 1.4800 -1.2515 4.6204
C -2.6056 -1.9605 2.5327
H -2.2990 -1.8401 1.5077
H -2.0797 -2.8065 2.9604
H -3.6705 -2.1573 2.5724
C -2.9403 0.5508 2.7416
H -2.6486 1.4230 3.3148
H -2.6242 0.6816 1.7208
H -4.0192 0.4535 2.7776
N 1.2441 -0.4148 2.6824
C 1.7287 -0.3486 4.0798
H 1.2710 0.4904 4.5864
H -2.1752 -1.7329 5.2198
C 2.3348 -0.3152 1.6226
C 3.3942 0.4375 2.4764
H 3.1790 1.5014 2.5084
C 3.2524 -0.1500 3.9116
H 3.6563 0.4895 4.6879
H 3.7552 -1.1091 3.9548
H 4.3972 0.3022 2.0876
H 4.0796 3.1171 0.3598
H 2.7120 -1.3463 1.5404
H 2.0739 1.6884 0.2187
H 3.9005 2.4823 -1.2653
C 1.3617 3.6023 0.8666
83
Frame 68
C -3.4829 0.0403 -2.0391
C -2.0579 -0.3444 -1.5693
N -1.0731 0.7564 -1.7595
C -1.5512 2.0179 -1.1373
C -2.9469 2.4586 -1.6186
C -3.9627 1.3341 -1.3578
H -2.0905 -0.5176 -0.5042
H -3.5087 0.1835 -3.1123
H -4.1562 -0.7780 -1.8022
H -1.5773 1.8532 -0.0687
H -0.8209 2.7893 -1.3379
H -3.2325 3.3613 -1.0882
H -2.9279 2.6951 -2.6770
H -4.0474 1.1699 -0.2881
H -4.9444 1.6110 -1.7272
C -0.6312 0.9487 -3.1576
H 0.1751 1.6695 -3.1499
H -1.4271 1.3641 -3.7735
C -1.5769 -1.6351 -2.2597
C -0.1737 -0.3583 -3.8220
C -1.3077 -1.3860 -3.7480
H -2.1910 -1.0224 -4.2568
H -1.0088 -2.3101 -4.2334
H 0.0482 -0.1305 -4.8610
C -0.3121 -2.2453 -1.6276
H -0.1621 -3.2296 -2.0745
H -0.4545 -2.3769 -0.5635
N 0.9206 -1.4280 -1.8191
C 1.0988 -0.9863 -3.2307
H 1.3015 -1.8749 -3.8361
C 2.1108 -2.2178 -1.3859
H 2.1907 -3.1136 -2.0040
H 1.9546 -2.5201 -0.3607
C 2.3292 -0.0770 -3.3352
H 2.1987 0.7832 -2.6914
H 2.4250 0.2736 -4.3585
C 3.3987 -1.3923 -1.4883
H 3.3359 -0.5829 -0.7749
H 4.2375 -2.0208 -1.2070
C 3.5917 -0.8433 -2.9094
H 4.4578 -0.1916 -2.9448
H 3.7657 -1.6615 -3.6031
H -2.3657 -2.3731 -2.1434
Li 0.6607 -0.0770 -0.2455
C 2.0313 2.7053 -0.1837
H 1.4319 2.6965 -1.0885
C 3.4610 3.1556 -0.5278
H 3.4704 4.1661 -0.9248
H 1.9615 3.6349 1.7714
H 1.2684 4.6324 0.4997
H 0.3796 3.2473 1.1254
O -0.4830 -0.3596 1.1926
C -0.0201 -0.4229 2.3648
O -0.8443 -0.5057 3.4345
C -2.2931 -0.6977 3.3430
C -2.6910 -0.8748 4.8076
H -2.4063 0.0033 5.3725
H -3.7611 -1.0222 4.8908
H 1.4836 -1.2522 4.6175
C -2.6112 -1.9618 2.5381
H -2.3054 -1.8423 1.5127
H -2.0853 -2.8076 2.9661
H -3.6761 -2.1580 2.5788
C -2.9445 0.5499 2.7449
H -2.6519 1.4226 3.3170
H -2.6293 0.6795 1.7237
H -4.0234 0.4532 2.7819
N 1.2392 -0.4172 2.6800
C 1.7294 -0.3496 4.0752
H 1.2733 0.4895 4.5831
H -2.1785 -1.7318 5.2247
C 2.3253 -0.3177 1.6157
C 3.3876 0.4366 2.4641
H 3.1716 1.5004 2.4963
C 3.2523 -0.1502 3.9002
H 3.6593 0.4899 4.6742
H 3.7558 -1.1090 3.9415
H 4.3891 0.3020 2.0711
H 4.0844 3.1317 0.3593
H 2.7030 -1.3484 1.5327
H 2.0777 1.7009 0.2150
H 3.9065 2.4962 -1.2659
C 1.3663 3.6147 0.8652
83
Frame 69
C -3.4808 0.0398 -2.0377
C -2.0557 -0.3454 -1.5684
N -1.0712 0.7553 -1.7586
C -1.5481 2.0160 -1.1345
C -2.9439 2.4579 -1.6146
C -3.9600 1.3333 -1.3550
H -2.0879 -0.5190 -0.5035
H -3.5068 0.1840 -3.1108
H -4.1543 -0.7783 -1.8012
H -1.5736 1.8498 -0.0661
H -0.8177 2.7874 -1.3346
H -3.2291 3.3600 -1.0830
H -2.9251 2.6957 -2.6727
H -4.0446 1.1680 -0.2854
H -4.9416 1.6109 -1.7239
C -0.6295 0.9486 -3.1563
H 0.1768 1.6694 -3.1484
H -1.4253 1.3641 -3.7724
C -1.5751 -1.6358 -2.2595
C -0.1718 -0.3581 -3.8210
C -1.3057 -1.3860 -3.7477
H -2.1890 -1.0220 -4.2563
H -1.0068 -2.3098 -4.2336
H 0.0505 -0.1301 -4.8599
C -0.3107 -2.2470 -1.6277
H -0.1614 -3.2312 -2.0750
H -0.4533 -2.3790 -0.5636
N 0.9228 -1.4307 -1.8188
C 1.1006 -0.9865 -3.2298
H 1.3037 -1.8741 -3.8365
C 2.1126 -2.2226 -1.3890
H 2.1918 -3.1166 -2.0102
H 1.9571 -2.5286 -0.3646
C 2.3309 -0.0768 -3.3325
H 2.2004 0.7815 -2.6863
H 2.4262 0.2765 -4.3548
C 3.4009 -1.3974 -1.4897
H 3.3385 -0.5894 -0.7747
H 4.2397 -2.0267 -1.2105
C 3.5934 -0.8443 -2.9093
H 4.4597 -0.1926 -2.9432
H 3.7672 -1.6605 -3.6054
H -2.3641 -2.3736 -2.1437
Li 0.6689 -0.0838 -0.2365
C 2.0364 2.7186 -0.1857
H 1.4375 2.7112 -1.0908
C 3.4663 3.1695 -0.5286
H 3.4754 4.1799 -0.9255
H 1.9659 3.6469 1.7703
H 1.2733 4.6450 0.4989
H 0.3842 3.2596 1.1233
O -0.4900 -0.3634 1.1940
C -0.0260 -0.4255 2.3657
O -0.8482 -0.5071 3.4368
C -2.2975 -0.6984 3.3470
C -2.6941 -0.8738 4.8122
H -2.4086 0.0047 5.3760
H -3.7641 -1.0207 4.8965
H 1.4873 -1.2530 4.6146
C -2.6169 -1.9630 2.5436
H -2.3120 -1.8447 1.5178
H -2.0912 -2.8087 2.9719
H -3.6819 -2.1587 2.5854
C -2.9487 0.5490 2.7483
H -2.6552 1.4221 3.3193
H -2.6345 0.6773 1.7267
H -4.0277 0.4528 2.7865
N 1.2342 -0.4195 2.6776
C 1.7300 -0.3506 4.0705
H 1.2756 0.4887 4.5797
H -2.1816 -1.7307 5.2297
C 2.3158 -0.3201 1.6088
C 3.3810 0.4358 2.4519
H 3.1640 1.4993 2.4842
C 3.2522 -0.1504 3.8887
H 3.6623 0.4903 4.6607
H 3.7563 -1.1089 3.9284
H 4.3809 0.3018 2.0547
H 4.0892 3.1459 0.3588
H 2.6940 -1.3506 1.5252
H 2.0814 1.7134 0.2108
H 3.9125 2.5105 -1.2666
C 1.3711 3.6272 0.8639
83
Frame 70
C -3.4786 0.0395 -2.0362
C -2.0535 -0.3464 -1.5676
N -1.0691 0.7542 -1.7576
C -1.5449 2.0141 -1.1316
C -2.9408 2.4571 -1.6105
C -3.9572 1.3324 -1.3521
H -2.0853 -0.5204 -0.5028
H -3.5049 0.1846 -3.1092
H -4.1524 -0.7787 -1.8003
H -1.5698 1.8464 -0.0634
H -0.8143 2.7855 -1.3312
H -3.2257 3.3586 -1.0776
H -2.9223 2.6963 -2.6683
H -4.0416 1.1660 -0.2827
H -4.9388 1.6108 -1.7205
C -0.6277 0.9484 -3.1550
H 0.1786 1.6693 -3.1468
H -1.4234 1.3641 -3.7711
C -1.5733 -1.6366 -2.2593
C -0.1698 -0.3580 -3.8200
C -1.3037 -1.3860 -3.7473
H -2.1870 -1.0216 -4.2558
H -1.0048 -2.3095 -4.2338
H 0.0528 -0.1297 -4.8587
C -0.3092 -2.2488 -1.6278
H -0.1608 -3.2329 -2.0756
H -0.4521 -2.3812 -0.5639
N 0.9249 -1.4334 -1.8186
C 1.1024 -0.9866 -3.2288
H 1.3060 -1.8732 -3.8369
C 2.1145 -2.2274 -1.3921
H 2.1929 -3.1192 -2.0162
H 1.9594 -2.5369 -0.3688
C 2.3326 -0.0765 -3.3298
H 2.2023 0.7802 -2.6811
H 2.4276 0.2795 -4.3512
C 3.4032 -1.4025 -1.4911
H 3.3412 -0.5960 -0.7744
H 4.2420 -2.0327 -1.2139
C 3.5953 -0.8454 -2.9092
H 4.4616 -0.1937 -2.9415
H 3.7686 -1.6597 -3.6077
H -2.3626 -2.3742 -2.1441
Li 0.6756 -0.0904 -0.2287
C 2.0416 2.7322 -0.1879
H 1.4432 2.7265 -1.0934
C 3.4717 3.1834 -0.5293
H 3.4807 4.1941 -0.9258
H 1.9703 3.6584 1.7693
H 1.2786 4.6579 0.4983
H 0.3888 3.2721 1.1209
O -0.4971 -0.3674 1.1953
C -0.0320 -0.4283 2.3665
O -0.8521 -0.5086 3.4390
C -2.3018 -0.6991 3.3512
C -2.6971 -0.8728 4.8169
H -2.4106 0.0061 5.3796
H -3.7671 -1.0190 4.9023
H 1.4909 -1.2537 4.6116
C -2.6228 -1.9643 2.5492
H -2.3188 -1.8471 1.5231
H -2.0972 -2.8100 2.9779
H -3.6879 -2.1592 2.5923
C -2.9530 0.5480 2.7519
H -2.6584 1.4216 3.3216
H -2.6398 0.6751 1.7297
H -4.0320 0.4524 2.7913
N 1.2293 -0.4218 2.6752
C 1.7305 -0.3515 4.0657
H 1.2778 0.4879 4.5762
H -2.1847 -1.7296 5.2348
C 2.3065 -0.3224 1.6020
C 3.3744 0.4351 2.4397
H 3.1564 1.4983 2.4722
C 3.2520 -0.1505 3.8773
H 3.6650 0.4908 4.6471
H 3.7567 -1.1088 3.9152
H 4.3728 0.3018 2.0385
H 4.0940 3.1597 0.3585
H 2.6852 -1.3527 1.5177
H 2.0848 1.7260 0.2060
H 3.9186 2.5249 -1.2673
C 1.3760 3.6397 0.8625
83
Frame 71
C -3.4764 0.0391 -2.0348
C -2.0513 -0.3475 -1.5667
N -1.0670 0.7529 -1.7564
C -1.5416 2.0121 -1.1286
C -2.9377 2.4563 -1.6063
C -3.9543 1.3316 -1.3491
H -2.0828 -0.5221 -0.5021
H -3.5030 0.1853 -3.1076
H -4.1505 -0.7790 -1.7994
H -1.5660 1.8431 -0.0606
H -0.8108 2.7835 -1.3277
H -3.2222 3.3571 -1.0721
H -2.9194 2.6969 -2.6638
H -4.0386 1.1638 -0.2799
H -4.9360 1.6107 -1.7170
C -0.6258 0.9482 -3.1536
H 0.1805 1.6691 -3.1451
H -1.4216 1.3642 -3.7696
C -1.5715 -1.6373 -2.2593
C -0.1678 -0.3579 -3.8190
C -1.3017 -1.3859 -3.7471
H -2.1850 -1.0212 -4.2554
H -1.0028 -2.3091 -4.2340
H 0.0551 -0.1292 -4.8576
C -0.3078 -2.2506 -1.6281
H -0.1601 -3.2347 -2.0764
H -0.4509 -2.3835 -0.5642
N 0.9270 -1.4361 -1.8184
C 1.1043 -0.9868 -3.2279
H 1.3083 -1.8723 -3.8374
C 2.1164 -2.2322 -1.3951
H 2.1939 -3.1222 -2.0221
H 1.9617 -2.5451 -0.3727
C 2.3343 -0.0763 -3.3269
H 2.2042 0.7783 -2.6758
H 2.4290 0.2826 -4.3473
C 3.4054 -1.4076 -1.4925
H 3.3439 -0.6026 -0.7740
H 4.2441 -2.0388 -1.2173
C 3.5971 -0.8465 -2.9091
H 4.4636 -0.1949 -2.9398
H 3.7701 -1.6588 -3.6099
H -2.3611 -2.3748 -2.1446
Li 0.6805 -0.0964 -0.2222
C 2.0467 2.7460 -0.1904
H 1.4491 2.7425 -1.0963
C 3.4773 3.1973 -0.5300
H 3.4864 4.2083 -0.9255
H 1.9747 3.6696 1.7683
H 1.2844 4.6709 0.4981
H 0.3934 3.2848 1.1183
O -0.5043 -0.3716 1.1965
C -0.0378 -0.4310 2.3672
O -0.8560 -0.5102 3.4411
C -2.3062 -0.6999 3.3554
C -2.6999 -0.8718 4.8217
H -2.4124 0.0076 5.3832
H -3.7700 -1.0173 4.9083
H 1.4943 -1.2542 4.6084
C -2.6289 -1.9657 2.5551
H -2.3258 -1.8497 1.5285
H -2.1034 -2.8113 2.9841
H -3.6940 -2.1598 2.5995
C -2.9573 0.5470 2.7555
H -2.6616 1.4210 3.3240
H -2.6453 0.6728 1.7328
H -4.0362 0.4520 2.7963
N 1.2243 -0.4241 2.6726
C 1.7310 -0.3523 4.0608
H 1.2799 0.4872 4.5726
H -2.1877 -1.7284 5.2401
C 2.2973 -0.3247 1.5952
C 3.3678 0.4344 2.4277
H 3.1488 1.4974 2.4604
C 3.2517 -0.1505 3.8659
H 3.6676 0.4913 4.6338
H 3.7570 -1.1086 3.9022
H 4.3647 0.3018 2.0225
H 4.0989 3.1730 0.3584
H 2.6766 -1.3547 1.5103
H 2.0881 1.7387 0.2008
H 3.9248 2.5396 -1.2683
C 1.3809 3.6522 0.8610
83
Frame 72
C -3.4742 0.0388 -2.0333
C -2.0491 -0.3487 -1.5659
N -1.0647 0.7516 -1.7551
C -1.5383 2.0101 -1.1254
C -2.9344 2.4554 -1.6020
C -3.9514 1.3307 -1.3461
H -2.0804 -0.5239 -0.5014
H -3.5009 0.1862 -3.1060
H -4.1485 -0.7793 -1.7987
H -1.5622 1.8396 -0.0576
H -0.8073 2.7814 -1.3240
H -3.2185 3.3556 -1.0665
H -2.9164 2.6974 -2.6592
H -4.0355 1.1616 -0.2771
H -4.9330 1.6107 -1.7134
C -0.6238 0.9480 -3.1520
H 0.1825 1.6689 -3.1431
H -1.4196 1.3642 -3.7678
C -1.5697 -1.6382 -2.2593
C -0.1658 -0.3577 -3.8180
C -1.2997 -1.3858 -3.7468
H -2.1829 -1.0207 -4.2550
H -1.0007 -2.3086 -4.2344
H 0.0574 -0.1286 -4.8564
C -0.3063 -2.2526 -1.6285
H -0.1595 -3.2365 -2.0774
H -0.4496 -2.3861 -0.5647
N 0.9291 -1.4389 -1.8183
C 1.1062 -0.9871 -3.2271
H 1.3107 -1.8715 -3.8381
C 2.1182 -2.2369 -1.3981
H 2.1949 -3.1250 -2.0277
H 1.9639 -2.5529 -0.3766
C 2.3361 -0.0762 -3.3241
H 2.2061 0.7767 -2.6704
H 2.4305 0.2856 -4.3436
C 3.4076 -1.4127 -1.4938
H 3.3464 -0.6093 -0.7737
H 4.2463 -2.0448 -1.2206
C 3.5990 -0.8476 -2.9090
H 4.4655 -0.1961 -2.9380
H 3.7716 -1.6580 -3.6121
H -2.3596 -2.3754 -2.1453
Li 0.6835 -0.1020 -0.2169
C 2.0519 2.7600 -0.1930
H 1.4551 2.7593 -1.0995
C 3.4831 3.2113 -0.5305
H 3.4926 4.2228 -0.9248
H 1.9791 3.6804 1.7673
H 1.2907 4.6842 0.4982
H 0.3980 3.2979 1.1154
O -0.5115 -0.3758 1.1976
C -0.0437 -0.4339 2.3677
O -0.8598 -0.5120 3.4432
C -2.3105 -0.7007 3.3598
C -2.7026 -0.8707 4.8267
H -2.4139 0.0091 5.3869
H -3.7726 -1.0154 4.9146
H 1.4975 -1.2548 4.6052
C -2.6350 -1.9671 2.5611
H -2.3330 -1.8525 1.5341
H -2.1098 -2.8127 2.9905
H -3.7003 -2.1603 2.6069
C -2.9615 0.5459 2.7593
H -2.6647 1.4204 3.3264
H -2.6508 0.6704 1.7360
H -4.0405 0.4516 2.8016
N 1.2194 -0.4263 2.6699
C 1.7313 -0.3531 4.0560
H 1.2819 0.4866 4.5689
H -2.1904 -1.7272 5.2455
C 2.2884 -0.3268 1.5885
C 3.3612 0.4338 2.4159
H 3.1412 1.4965 2.4488
C 3.2512 -0.1505 3.8547
H 3.6700 0.4918 4.6206
H 3.7571 -1.1083 3.8893
H 4.3566 0.3019 2.0068
H 4.1038 3.1859 0.3583
H 2.6680 -1.3566 1.5029
H 2.0911 1.7515 0.1951
H 3.9312 2.5545 -1.2693
C 1.3861 3.6648 0.8596
83
Frame 73
C -3.4719 0.0385 -2.0319
C -2.0469 -0.3499 -1.5650
N -1.0622 0.7501 -1.7535
C -1.5349 2.0081 -1.1221
C -2.9310 2.4545 -1.5976
C -3.9484 1.3297 -1.3430
H -2.0781 -0.5259 -0.5007
H -3.4988 0.1871 -3.1044
H -4.1466 -0.7796 -1.7981
H -1.5583 1.8361 -0.0545
H -0.8036 2.7792 -1.3201
H -3.2147 3.3540 -1.0608
H -2.9133 2.6980 -2.6545
H -4.0324 1.1594 -0.2742
H -4.9300 1.6106 -1.7097
C -0.6217 0.9477 -3.1502
H 0.1846 1.6686 -3.1410
H -1.4176 1.3644 -3.7657
C -1.5679 -1.6391 -2.2594
C -0.1637 -0.3575 -3.8169
C -1.2976 -1.3856 -3.7467
H -2.1807 -1.0200 -4.2547
H -0.9987 -2.3081 -4.2350
H 0.0597 -0.1278 -4.8552
C -0.3049 -2.2547 -1.6290
H -0.1588 -3.2385 -2.0786
H -0.4483 -2.3888 -0.5653
N 0.9311 -1.4417 -1.8184
C 1.1082 -0.9873 -3.2264
H 1.3131 -1.8707 -3.8388
C 2.1199 -2.2416 -1.4009
H 2.1959 -3.1280 -2.0331
H 1.9660 -2.5606 -0.3802
C 2.3379 -0.0761 -3.3212
H 2.2080 0.7747 -2.6650
H 2.4321 0.2887 -4.3396
C 3.4098 -1.4178 -1.4950
H 3.3489 -0.6158 -0.7732
H 4.2483 -2.0509 -1.2237
C 3.6009 -0.8489 -2.9087
H 4.4675 -0.1975 -2.9361
H 3.7731 -1.6573 -3.6142
H -2.3581 -2.3761 -2.1461
Li 0.6848 -0.1071 -0.2130
C 2.0572 2.7743 -0.1960
H 1.4612 2.7766 -1.1030
C 3.4890 3.2253 -0.5310
H 3.4992 4.2375 -0.9235
H 1.9836 3.6907 1.7664
H 1.2974 4.6976 0.4985
H 0.4026 3.3112 1.1122
O -0.5188 -0.3802 1.1986
C -0.0495 -0.4367 2.3681
O -0.8636 -0.5138 3.4451
C -2.3147 -0.7015 3.3641
C -2.7051 -0.8696 4.8318
H -2.4152 0.0107 5.3907
H -3.7751 -1.0135 4.9211
H 1.5004 -1.2552 4.6019
C -2.6413 -1.9686 2.5673
H -2.3404 -1.8553 1.5398
H -2.1164 -2.8141 2.9971
H -3.7067 -2.1607 2.6146
C -2.9658 0.5449 2.7632
H -2.6676 1.4198 3.3288
H -2.6565 0.6679 1.7393
H -4.0447 0.4512 2.8071
N 1.2145 -0.4284 2.6671
C 1.7314 -0.3538 4.0510
H 1.2836 0.4860 4.5651
H -2.1930 -1.7260 5.2509
C 2.2795 -0.3287 1.5818
C 3.3547 0.4332 2.4044
H 3.1338 1.4957 2.4376
C 3.2506 -0.1505 3.8437
H 3.6720 0.4923 4.6077
H 3.7571 -1.1081 3.8766
H 4.3486 0.3021 1.9915
H 4.1088 3.1982 0.3584
H 2.6596 -1.3583 1.4955
H 2.0940 1.7644 0.1889
H 3.9376 2.5696 -1.2705
C 1.3913 3.6775 0.8581
83
Frame 74
C -3.4695 0.0382 -2.0306
C -2.0448 -0.3514 -1.5641
N -1.0597 0.7485 -1.7516
C -1.5314 2.0059 -1.1185
C -2.9275 2.4535 -1.5931
C -3.9453 1.3288 -1.3399
H -2.0760 -0.5283 -0.5000
H -3.4965 0.1882 -3.1029
H -4.1446 -0.7799 -1.7977
H -1.5545 1.8325 -0.0512
H -0.7998 2.7769 -1.3160
H -3.2107 3.3524 -1.0549
H -2.9099 2.6985 -2.6496
H -4.0291 1.1570 -0.2713
H -4.9268 1.6106 -1.7060
C -0.6195 0.9474 -3.1483
H 0.1869 1.6683 -3.1386
H -1.4155 1.3646 -3.7632
C -1.5662 -1.6401 -2.2596
C -0.1616 -0.3573 -3.8159
C -1.2956 -1.3853 -3.7467
H -2.1786 -1.0193 -4.2545
H -0.9967 -2.3075 -4.2357
H 0.0620 -0.1268 -4.8540
C -0.3035 -2.2570 -1.6298
H -0.1582 -3.2405 -2.0802
H -0.4470 -2.3918 -0.5662
N 0.9330 -1.4447 -1.8186
C 1.1101 -0.9877 -3.2258
H 1.3155 -1.8699 -3.8397
C 2.1215 -2.2462 -1.4036
H 2.1968 -3.1309 -2.0382
H 1.9678 -2.5679 -0.3839
C 2.3398 -0.0761 -3.3184
H 2.2100 0.7728 -2.6595
H 2.4337 0.2917 -4.3358
C 3.4118 -1.4228 -1.4961
H 3.3512 -0.6222 -0.7728
H 4.2502 -2.0567 -1.2266
C 3.6028 -0.8502 -2.9084
H 4.4696 -0.1988 -2.9342
H 3.7747 -1.6567 -3.6161
H -2.3567 -2.3768 -2.1471
Li 0.6844 -0.1116 -0.2103
C 2.0624 2.7887 -0.1991
H 1.4675 2.7947 -1.1068
C 3.4951 3.2393 -0.5314
H 3.5063 4.2523 -0.9218
H 1.9880 3.7006 1.7656
H 1.3046 4.7113 0.4993
H 0.4072 3.3246 1.1088
O -0.5262 -0.3847 1.1994
C -0.0553 -0.4396 2.3683
O -0.8672 -0.5157 3.4470
C -2.3189 -0.7024 3.3686
C -2.7073 -0.8684 4.8370
H -2.4161 0.0123 5.3944
H -3.7773 -1.0115 4.9278
H 1.5030 -1.2556 4.5984
C -2.6477 -1.9701 2.5737
H -2.3479 -1.8583 1.5456
H -2.1231 -2.8157 3.0038
H -3.7132 -2.1611 2.6225
C -2.9700 0.5437 2.7671
H -2.6704 1.4192 3.3313
H -2.6622 0.6653 1.7426
H -4.0489 0.4508 2.8128
N 1.2096 -0.4304 2.6641
C 1.7314 -0.3545 4.0460
H 1.2851 0.4855 4.5612
H -2.1953 -1.7247 5.2565
C 2.2709 -0.3304 1.5751
C 3.3482 0.4328 2.3931
H 3.1264 1.4951 2.4267
C 3.2498 -0.1505 3.8329
H 3.6738 0.4927 4.5952
H 3.7568 -1.1078 3.8641
H 4.3408 0.3024 1.9767
H 4.1138 3.2101 0.3587
H 2.6514 -1.3597 1.4881
H 2.0967 1.7774 0.1821
H 3.9441 2.5849 -1.2718
C 1.3967 3.6902 0.8566
83
Frame 75
C -3.4671 0.0379 -2.0293
C -2.0426 -0.3529 -1.5632
N -1.0569 0.7467 -1.7495
C -1.5278 2.0035 -1.1147
C -2.9239 2.4525 -1.5884
C -3.9422 1.3278 -1.3367
H -2.0741 -0.5309 -0.4993
H -3.4940 0.1894 -3.1014
H -4.1426 -0.7800 -1.7975
H -1.5507 1.8288 -0.0476
H -0.7958 2.7743 -1.3115
H -3.2066 3.3507 -1.0489
H -2.9063 2.6990 -2.6446
H -4.0259 1.1545 -0.2684
H -4.9236 1.6107 -1.7022
C -0.6171 0.9471 -3.1460
H 0.1893 1.6678 -3.1359
H -1.4133 1.3648 -3.7604
C -1.5645 -1.6411 -2.2600
C -0.1594 -0.3571 -3.8149
C -1.2936 -1.3850 -3.7467
H -2.1765 -1.0183 -4.2543
H -0.9947 -2.3068 -4.2366
H 0.0643 -0.1257 -4.8527
C -0.3021 -2.2594 -1.6308
H -0.1577 -3.2426 -2.0820
H -0.4457 -2.3951 -0.5673
N 0.9348 -1.4477 -1.8189
C 1.1121 -0.9882 -3.2253
H 1.3179 -1.8691 -3.8408
C 2.1230 -2.2507 -1.4062
H 2.1978 -3.1340 -2.0430
H 1.9694 -2.5749 -0.3872
C 2.3417 -0.0762 -3.3156
H 2.2119 0.7709 -2.6543
H 2.4355 0.2944 -4.3320
C 3.4137 -1.4276 -1.4971
H 3.3533 -0.6284 -0.7722
H 4.2520 -2.0626 -1.2292
C 3.6046 -0.8515 -2.9080
H 4.4716 -0.2004 -2.9322
H 3.7762 -1.6563 -3.6177
H -2.3554 -2.3776 -2.1483
Li 0.6824 -0.1154 -0.2089
C 2.0677 2.8033 -0.2024
H 1.4739 2.8131 -1.1108
C 3.5013 3.2532 -0.5317
H 3.5139 4.2672 -0.9195
H 1.9925 3.7099 1.7648
H 1.3123 4.7250 0.5003
H 0.4118 3.3383 1.1052
O -0.5337 -0.3893 1.2001
C -0.0610 -0.4426 2.3683
O -0.8708 -0.5178 3.4486
C -2.3229 -0.7034 3.3730
C -2.7092 -0.8672 4.8423
H -2.4166 0.0140 5.3982
H -3.7792 -1.0093 4.9348
H 1.5053 -1.2560 4.5948
C -2.6541 -1.9717 2.5802
H -2.3556 -1.8615 1.5516
H -2.1298 -2.8172 3.0106
H -3.7198 -2.1615 2.6307
C -2.9741 0.5426 2.7711
H -2.6730 1.4185 3.3337
H -2.6680 0.6626 1.7459
H -4.0530 0.4504 2.8187
N 1.2047 -0.4321 2.6610
C 1.7312 -0.3551 4.0409
H 1.2863 0.4851 4.5571
H -2.1973 -1.7233 5.2621
C 2.2624 -0.3316 1.5684
C 3.3418 0.4326 2.3822
H 3.1194 1.4947 2.4163
C 3.2489 -0.1505 3.8223
H 3.6754 0.4929 4.5830
H 3.7563 -1.1077 3.8519
H 4.3330 0.3029 1.9622
H 4.1190 3.2212 0.3591
H 2.6432 -1.3606 1.4804
H 2.0992 1.7905 0.1750
H 3.9506 2.6003 -1.2732
C 1.4022 3.7029 0.8552
83
Frame 76
C -3.4646 0.0377 -2.0281
C -2.0405 -0.3546 -1.5624
N -1.0541 0.7447 -1.7472
C -1.5242 2.0010 -1.1107
C -2.9200 2.4514 -1.5836
C -3.9389 1.3269 -1.3336
H -2.0723 -0.5337 -0.4987
H -3.4915 0.1907 -3.1000
H -4.1406 -0.7802 -1.7974
H -1.5470 1.8248 -0.0438
H -0.7918 2.7716 -1.3066
H -3.2023 3.3489 -1.0428
H -2.9024 2.6994 -2.6395
H -4.0226 1.1520 -0.2655
H -4.9202 1.6108 -1.6986
C -0.6147 0.9467 -3.1436
H 0.1919 1.6673 -3.1329
H -1.4110 1.3652 -3.7572
C -1.5629 -1.6422 -2.2606
C -0.1573 -0.3568 -3.8139
C -1.2917 -1.3846 -3.7469
H -2.1744 -1.0173 -4.2543
H -0.9928 -2.3059 -4.2377
H 0.0666 -0.1243 -4.8515
C -0.3009 -2.2620 -1.6320
H -0.1571 -3.2448 -2.0842
H -0.4445 -2.3986 -0.5686
N 0.9365 -1.4508 -1.8194
C 1.1140 -0.9887 -3.2249
H 1.3202 -1.8685 -3.8419
C 2.1244 -2.2551 -1.4087
H 2.1988 -3.1369 -2.0474
H 1.9709 -2.5817 -0.3905
C 2.3436 -0.0763 -3.3129
H 2.2139 0.7687 -2.6491
H 2.4373 0.2970 -4.3281
C 3.4155 -1.4324 -1.4979
H 3.3551 -0.6345 -0.7717
H 4.2537 -2.0681 -1.2315
C 3.6065 -0.8530 -2.9075
H 4.4736 -0.2019 -2.9302
H 3.7778 -1.6559 -3.6194
H -2.3542 -2.3784 -2.1497
Li 0.6793 -0.1190 -0.2083
C 2.0729 2.8181 -0.2060
H 1.4804 2.8323 -1.1151
C 3.5077 3.2670 -0.5319
H 3.5218 4.2821 -0.9168
H 1.9969 3.7188 1.7641
H 1.3202 4.7389 0.5018
H 0.4163 3.3522 1.1013
O -0.5412 -0.3939 1.2007
C -0.0666 -0.4455 2.3682
O -0.8743 -0.5199 3.4502
C -2.3268 -0.7043 3.3775
C -2.7109 -0.8660 4.8476
H -2.4168 0.0157 5.4020
H -3.7809 -1.0072 4.9419
H 1.5072 -1.2563 4.5909
C -2.6606 -1.9733 2.5868
H -2.3634 -1.8647 1.5576
H -2.1366 -2.8189 3.0175
H -3.7264 -2.1618 2.6390
C -2.9781 0.5414 2.7752
H -2.6754 1.4178 3.3362
H -2.6738 0.6599 1.7493
H -4.0570 0.4501 2.8249
N 1.1999 -0.4338 2.6577
C 1.7308 -0.3556 4.0358
H 1.2873 0.4847 4.5530
H -2.1991 -1.7220 5.2678
C 2.2541 -0.3325 1.5618
C 3.3355 0.4325 2.3716
H 3.1123 1.4944 2.4063
C 3.2477 -0.1505 3.8120
H 3.6766 0.4931 4.5712
H 3.7555 -1.1075 3.8398
H 4.3254 0.3034 1.9483
H 4.1241 3.2319 0.3596
H 2.6353 -1.3613 1.4727
H 2.1014 1.8036 0.1673
H 3.9572 2.6158 -1.2747
C 1.4078 3.7156 0.8537
83
Frame 77
C -3.4622 0.0375 -2.0270
C -2.0385 -0.3564 -1.5615
N -1.0511 0.7425 -1.7446
C -1.5205 1.9984 -1.1064
C -2.9161 2.4502 -1.5787
C -3.9356 1.3259 -1.3304
H -2.0707 -0.5369 -0.4982
H -3.4888 0.1922 -3.0987
H -4.1387 -0.7803 -1.7976
H -1.5433 1.8206 -0.0398
H -0.7875 2.7687 -1.3014
H -3.1979 3.3470 -1.0365
H -2.8983 2.6999 -2.6342
H -4.0194 1.1494 -0.2627
H -4.9168 1.6111 -1.6949
C -0.6121 0.9463 -3.1410
H 0.1946 1.6667 -3.1295
H -1.4085 1.3657 -3.7537
C -1.5614 -1.6434 -2.2612
C -0.1552 -0.3564 -3.8129
C -1.2898 -1.3841 -3.7473
H -2.1723 -1.0160 -4.2543
H -0.9910 -2.3049 -4.2390
H 0.0688 -0.1227 -4.8502
C -0.2997 -2.2646 -1.6335
H -0.1566 -3.2471 -2.0867
H -0.4434 -2.4024 -0.5702
N 0.9381 -1.4539 -1.8200
C 1.1159 -0.9893 -3.2245
H 1.3225 -1.8679 -3.8432
C 2.1257 -2.2594 -1.4110
H 2.1997 -3.1400 -2.0517
H 1.9721 -2.5881 -0.3934
C 2.3455 -0.0767 -3.3102
H 2.2158 0.7666 -2.6441
H 2.4392 0.2995 -4.3246
C 3.4171 -1.4370 -1.4986
H 3.3566 -0.6402 -0.7711
H 4.2551 -2.0734 -1.2334
C 3.6083 -0.8545 -2.9069
H 4.4755 -0.2036 -2.9281
H 3.7793 -1.6559 -3.6206
H -2.3530 -2.3794 -2.1514
Li 0.6752 -0.1220 -0.2086
C 2.0782 2.8330 -0.2097
H 1.4870 2.8518 -1.1196
C 3.5142 3.2807 -0.5321
H 3.5303 4.2970 -0.9136
H 2.0014 3.7272 1.7634
H 1.3287 4.7529 0.5034
H 0.4208 3.3662 1.0973
O -0.5488 -0.3986 1.2011
C -0.0722 -0.4483 2.3678
O -0.8776 -0.5222 3.4516
C -2.3306 -0.7053 3.3820
C -2.7123 -0.8647 4.8530
H -2.4165 0.0175 5.4057
H -3.7822 -1.0049 4.9492
H 1.5088 -1.2565 4.5870
C -2.6670 -1.9749 2.5935
H -2.3712 -1.8680 1.5637
H -2.1434 -2.8206 3.0245
H -3.7330 -2.1622 2.6475
C -2.9821 0.5401 2.7794
H -2.6776 1.4171 3.3385
H -2.6797 0.6570 1.7527
H -4.0610 0.4497 2.8312
N 1.1950 -0.4352 2.6544
C 1.7302 -0.3560 4.0306
H 1.2881 0.4844 4.5488
H -2.2005 -1.7206 5.2735
C 2.2459 -0.3330 1.5552
C 3.3293 0.4326 2.3614
H 3.1055 1.4943 2.3968
C 3.2464 -0.1505 3.8019
H 3.6776 0.4931 4.5598
H 3.7545 -1.1074 3.8280
H 4.3178 0.3042 1.9350
H 4.1292 3.2419 0.3603
H 2.6274 -1.3616 1.4649
H 2.1035 1.8168 0.1594
H 3.9639 2.6312 -1.2763
C 1.4134 3.7282 0.8522
83
Frame 78
C -3.4597 0.0373 -2.0260
C -2.0365 -0.3584 -1.5607
N -1.0481 0.7402 -1.7418
C -1.5168 1.9955 -1.1018
C -2.9120 2.4489 -1.5737
C -3.9323 1.3249 -1.3273
H -2.0692 -0.5403 -0.4976
H -3.4861 0.1938 -3.0974
H -4.1369 -0.7803 -1.7981
H -1.5397 1.8162 -0.0355
H -0.7832 2.7655 -1.2958
H -3.1933 3.3451 -1.0300
H -2.8940 2.7004 -2.6287
H -4.0162 1.1466 -0.2598
H -4.9132 1.6114 -1.6913
C -0.6094 0.9458 -3.1381
H 0.1975 1.6660 -3.1258
H -1.4060 1.3664 -3.7499
C -1.5599 -1.6447 -2.2621
C -0.1530 -0.3561 -3.8119
C -1.2879 -1.3836 -3.7477
H -2.1703 -1.0146 -4.2545
H -0.9893 -2.3038 -4.2406
H 0.0711 -0.1210 -4.8488
C -0.2985 -2.2675 -1.6351
H -0.1561 -3.2495 -2.0896
H -0.4423 -2.4065 -0.5720
N 0.9395 -1.4570 -1.8207
C 1.1178 -0.9900 -3.2243
H 1.3246 -1.8674 -3.8446
C 2.1269 -2.2636 -1.4132
H 2.2007 -3.1429 -2.0555
H 1.9730 -2.5943 -0.3963
C 2.3474 -0.0771 -3.3077
H 2.2177 0.7643 -2.6393
H 2.4412 0.3016 -4.3210
C 3.4186 -1.4414 -1.4991
H 3.3579 -0.6457 -0.7706
H 4.2564 -2.0785 -1.2350
C 3.6101 -0.8561 -2.9062
H 4.4775 -0.2053 -2.9260
H 3.7809 -1.6560 -3.6217
H -2.3520 -2.3803 -2.1534
Li 0.6703 -0.1247 -0.2095
C 2.0835 2.8479 -0.2136
H 1.4936 2.8718 -1.1243
C 3.5208 3.2942 -0.5321
H 3.5390 4.3118 -0.9100
H 2.0057 3.7351 1.7628
H 1.3374 4.7668 0.5055
H 0.4254 3.3803 1.0930
O -0.5564 -0.4033 1.2014
C -0.0777 -0.4512 2.3673
O -0.8809 -0.5245 3.4529
C -2.3343 -0.7064 3.3865
C -2.7134 -0.8635 4.8584
H -2.4159 0.0192 5.4094
H -3.7832 -1.0026 4.9568
H 1.5099 -1.2567 4.5829
C -2.6735 -1.9767 2.6003
H -2.3792 -1.8714 1.5698
H -2.1501 -2.8224 3.0315
H -3.7396 -2.1626 2.6562
C -2.9859 0.5388 2.7835
H -2.6796 1.4163 3.3409
H -2.6856 0.6541 1.7560
H -4.0648 0.4494 2.8377
N 1.1902 -0.4364 2.6508
C 1.7294 -0.3564 4.0254
H 1.2887 0.4842 4.5446
H -2.2016 -1.7192 5.2792
C 2.2379 -0.3331 1.5486
C 3.3231 0.4329 2.3516
H 3.0989 1.4945 2.3878
C 3.2449 -0.1505 3.7921
H 3.6783 0.4929 4.5487
H 3.7531 -1.1074 3.8162
H 4.3104 0.3051 1.9220
H 4.1344 3.2514 0.3610
H 2.6197 -1.3614 1.4569
H 2.1055 1.8301 0.1510
H 3.9705 2.6467 -1.2780
C 1.4192 3.7408 0.8507
83
Frame 79
C -3.4572 0.0372 -2.0251
C -2.0346 -0.3605 -1.5599
N -1.0451 0.7377 -1.7389
C -1.5129 1.9925 -1.0970
C -2.9078 2.4476 -1.5684
C -3.9289 1.3239 -1.3242
H -2.0679 -0.5440 -0.4972
H -3.4832 0.1956 -3.0962
H -4.1351 -0.7803 -1.7988
H -1.5362 1.8115 -0.0310
H -0.7787 2.7621 -1.2899
H -3.1885 3.3431 -1.0233
H -2.8893 2.7009 -2.6230
H -4.0130 1.1438 -0.2571
H -4.9096 1.6117 -1.6878
C -0.6066 0.9453 -3.1350
H 0.2005 1.6653 -3.1219
H -1.4033 1.3671 -3.7458
C -1.5585 -1.6460 -2.2632
C -0.1509 -0.3556 -3.8109
C -1.2861 -1.3829 -3.7483
H -2.1683 -1.0129 -4.2548
H -0.9877 -2.3025 -4.2424
H 0.0733 -0.1190 -4.8475
C -0.2975 -2.2704 -1.6370
H -0.1557 -3.2519 -2.0928
H -0.4414 -2.4107 -0.5740
N 0.9408 -1.4602 -1.8215
C 1.1197 -0.9907 -3.2242
H 1.3267 -1.8670 -3.8461
C 2.1279 -2.2677 -1.4152
H 2.2016 -3.1459 -2.0591
H 1.9738 -2.6002 -0.3990
C 2.3493 -0.0777 -3.3053
H 2.2196 0.7621 -2.6347
H 2.4433 0.3035 -4.3177
C 3.4199 -1.4457 -1.4995
H 3.3588 -0.6510 -0.7699
H 4.2576 -2.0833 -1.2362
C 3.6118 -0.8578 -2.9055
H 4.4794 -0.2072 -2.9238
H 3.7825 -1.6563 -3.6225
H -2.3510 -2.3814 -2.1556
Li 0.6648 -0.1272 -0.2110
C 2.0887 2.8630 -0.2176
H 1.5004 2.8922 -1.1292
C 3.5275 3.3076 -0.5321
H 3.5482 4.3266 -0.9060
H 2.0101 3.7426 1.7622
H 1.3466 4.7809 0.5077
H 0.4298 3.3946 1.0885
O -0.5639 -0.4081 1.2015
C -0.0832 -0.4540 2.3666
O -0.8841 -0.5269 3.4540
C -2.3379 -0.7075 3.3910
C -2.7142 -0.8622 4.8639
H -2.4150 0.0210 5.4131
H -3.7840 -1.0003 4.9644
H 1.5108 -1.2568 4.5787
C -2.6799 -1.9784 2.6071
H -2.3871 -1.8749 1.5760
H -2.1569 -2.8242 3.0386
H -3.7461 -2.1630 2.6651
C -2.9897 0.5375 2.7877
H -2.6814 1.4155 3.3432
H -2.6916 0.6510 1.7594
H -4.0685 0.4491 2.8444
N 1.1854 -0.4374 2.6472
C 1.7284 -0.3567 4.0201
H 1.2891 0.4840 4.5403
H -2.2024 -1.7178 5.2849
C 2.2300 -0.3329 1.5421
C 3.3170 0.4335 2.3420
H 3.0922 1.4948 2.3792
C 3.2432 -0.1505 3.7824
H 3.6789 0.4926 4.5381
H 3.7516 -1.1074 3.8046
H 4.3030 0.3063 1.9094
H 4.1396 3.2602 0.3619
H 2.6121 -1.3609 1.4490
H 2.1072 1.8434 0.1424
H 3.9772 2.6621 -1.2797
C 1.4251 3.7533 0.8492
83
Frame 80
C -3.4547 0.0371 -2.0243
C -2.0327 -0.3627 -1.5592
N -1.0420 0.7350 -1.7357
C -1.5091 1.9892 -1.0920
C -2.9034 2.4463 -1.5630
C -3.9255 1.3229 -1.3211
H -2.0668 -0.5479 -0.4968
H -3.4802 0.1975 -3.0952
H -4.1334 -0.7802 -1.7997
H -1.5327 1.8064 -0.0263
H -0.7741 2.7585 -1.2835
H -3.1836 3.3409 -1.0164
H -2.8845 2.7015 -2.6171
H -4.0099 1.1409 -0.2543
H -4.9059 1.6122 -1.6843
C -0.6038 0.9448 -3.1318
H 0.2036 1.6644 -3.1176
H -1.4005 1.3680 -3.7414
C -1.5572 -1.6473 -2.2644
C -0.1488 -0.3552 -3.8100
C -1.2844 -1.3821 -3.7491
H -2.1664 -1.0111 -4.2552
H -0.9862 -2.3011 -4.2445
H 0.0755 -0.1169 -4.8461
C -0.2966 -2.2734 -1.6391
H -0.1553 -3.2543 -2.0963
H -0.4405 -2.4152 -0.5763
N 0.9420 -1.4635 -1.8224
C 1.1215 -0.9916 -3.2241
H 1.3286 -1.8666 -3.8476
C 2.1288 -2.2717 -1.4171
H 2.2026 -3.1488 -2.0624
H 1.9744 -2.6059 -0.4015
C 2.3512 -0.0784 -3.3029
H 2.2215 0.7597 -2.6304
H 2.4454 0.3052 -4.3143
C 3.4211 -1.4499 -1.4997
H 3.3596 -0.6560 -0.7693
H 4.2586 -2.0880 -1.2371
C 3.6135 -0.8596 -2.9046
H 4.4812 -0.2092 -2.9216
H 3.7840 -1.6568 -3.6232
H -2.3501 -2.3825 -2.1581
Li 0.6589 -0.1294 -0.2129
C 2.0940 2.8781 -0.2217
H 1.5073 2.9129 -1.1341
C 3.5344 3.3208 -0.5319
H 3.5577 4.3412 -0.9017
H 2.0144 3.7497 1.7616
H 1.3561 4.7949 0.5103
H 0.4344 3.4090 1.0839
O -0.5715 -0.4129 1.2015
C -0.0887 -0.4568 2.3658
O -0.8872 -0.5294 3.4550
C -2.3413 -0.7086 3.3954
C -2.7148 -0.8609 4.8694
H -2.4137 0.0228 5.4167
H -3.7845 -0.9979 4.9722
H 1.5113 -1.2568 4.5743
C -2.6863 -1.9802 2.6139
H -2.3952 -1.8784 1.5822
H -2.1636 -2.8260 3.0457
H -3.7527 -2.1634 2.6740
C -2.9934 0.5362 2.7919
H -2.6831 1.4147 3.3455
H -2.6975 0.6479 1.7628
H -4.0721 0.4488 2.8512
N 1.1806 -0.4382 2.6435
C 1.7272 -0.3569 4.0149
H 1.2892 0.4839 4.5360
H -2.2029 -1.7164 5.2905
C 2.2222 -0.3322 1.5356
C 3.3109 0.4342 2.3327
H 3.0857 1.4955 2.3711
C 3.2414 -0.1505 3.7729
H 3.6792 0.4921 4.5277
H 3.7498 -1.1074 3.7931
H 4.2959 0.3078 1.8973
H 4.1448 3.2685 0.3628
H 2.6046 -1.3600 1.4409
H 2.1087 1.8567 0.1335
H 3.9839 2.6775 -1.2815
C 1.4310 3.7658 0.8477
83
Frame 81
C -3.4522 0.0371 -2.0236
C -2.0309 -0.3650 -1.5585
N -1.0390 0.7322 -1.7325
C -1.5052 1.9858 -1.0867
C -2.8989 2.4449 -1.5574
C -3.9221 1.3219 -1.3180
H -2.0659 -0.5520 -0.4966
H -3.4772 0.1996 -3.0942
H -4.1317 -0.7800 -1.8009
H -1.5292 1.8011 -0.0214
H -0.7693 2.7546 -1.2768
H -3.1786 3.3387 -1.0092
H -2.8795 2.7021 -2.6110
H -4.0069 1.1378 -0.2517
H -4.9021 1.6128 -1.6809
C -0.6009 0.9444 -3.1284
H 0.2068 1.6635 -3.1131
H -1.3977 1.3690 -3.7369
C -1.5560 -1.6487 -2.2658
C -0.1467 -0.3546 -3.8090
C -1.2827 -1.3812 -3.7499
H -2.1644 -1.0091 -4.2557
H -0.9847 -2.2995 -4.2468
H 0.0777 -0.1145 -4.8447
C -0.2957 -2.2765 -1.6414
H -0.1550 -3.2568 -2.1000
H -0.4398 -2.4198 -0.5788
N 0.9431 -1.4667 -1.8234
C 1.1232 -0.9925 -3.2241
H 1.3305 -1.8664 -3.8492
C 2.1296 -2.2756 -1.4189
H 2.2035 -3.1518 -2.0656
H 1.9747 -2.6114 -0.4039
C 2.3532 -0.0793 -3.3007
H 2.2234 0.7573 -2.6262
H 2.4476 0.3065 -4.3113
C 3.4221 -1.4539 -1.4998
H 3.3601 -0.6608 -0.7686
H 4.2594 -2.0925 -1.2376
C 3.6152 -0.8615 -2.9037
H 4.4831 -0.2114 -2.9194
H 3.7856 -1.6575 -3.6235
H -2.3493 -2.3836 -2.1608
Li 0.6527 -0.1314 -0.2151
C 2.0992 2.8932 -0.2259
H 1.5142 2.9338 -1.1392
C 3.5413 3.3338 -0.5317
H 3.5675 4.3558 -0.8970
H 2.0188 3.7566 1.7612
H 1.3658 4.8091 0.5130
H 0.4388 3.4235 1.0792
O -0.5790 -0.4177 1.2014
C -0.0941 -0.4595 2.3648
O -0.8902 -0.5320 3.4558
C -2.3447 -0.7098 3.3999
C -2.7151 -0.8597 4.8748
H -2.4122 0.0245 5.4203
H -3.7848 -0.9956 4.9801
H 1.5116 -1.2568 4.5699
C -2.6927 -1.9821 2.6208
H -2.4032 -1.8820 1.5884
H -2.1702 -2.8279 3.0528
H -3.7591 -2.1638 2.6830
C -2.9970 0.5347 2.7961
H -2.6846 1.4138 3.3477
H -2.7035 0.6447 1.7661
H -4.0757 0.4484 2.8582
N 1.1759 -0.4387 2.6397
C 1.7259 -0.3570 4.0096
H 1.2893 0.4840 4.5316
H -2.2031 -1.7150 5.2961
C 2.2145 -0.3313 1.5291
C 3.3048 0.4352 2.3237
H 3.0793 1.4963 2.3633
C 3.2394 -0.1505 3.7636
H 3.6794 0.4916 4.5176
H 3.7479 -1.1075 3.7817
H 4.2887 0.3095 1.8856
H 4.1501 3.2763 0.3639
H 2.5972 -1.3588 1.4328
H 2.1102 1.8701 0.1244
H 3.9907 2.6927 -1.2833
C 1.4370 3.7783 0.8463
