31
1
O                2.1766     -1.2798      0.9079
C                1.1981     -0.5321      1.1625
C               -0.8828      0.7056      0.4672
C               -0.6986     -0.0892      2.8298
C               -1.0907      1.0665      1.9363
C                0.7383     -0.4963      2.6126
C                0.5301      0.3153      0.2328
H               -1.1325      1.6088     -0.1602
H               -0.8483      0.1946      3.9055
H               -2.1602      1.3458      2.1218
H                0.9203     -1.4993      3.0796
C                1.1763      0.8719     -0.8965
C               -1.8635     -0.4153      0.0911
H               -1.3736     -0.9625      2.6253
H               -0.4584      1.9597      2.1776
H                1.4136      0.2390      3.1282
O                0.7562      1.6975     -1.7458
O                2.4952      0.5165     -1.1216
C               -2.2448     -0.4117     -1.3694
H               -2.8093     -0.2918      0.6847
H               -1.4146     -1.4047      0.3609
O               -3.1495      0.2641     -1.7841
C               -1.5176     -1.3387     -2.2518
C               -0.2926     -1.8189     -2.0120
H               -2.0572     -1.5933     -3.1798
H                0.3046     -1.5543     -1.1202
H                0.2060     -2.4875     -2.7277
C                2.9346      1.2124     -2.2664
H                4.0304      1.2254     -2.2878
H                2.5576      2.2410     -2.2359
H                2.5576      0.7116     -3.1655
31
M1
O                2.1626     -1.2963      0.8910
C                1.1926     -0.5421      1.1522
C               -0.8876      0.7049      0.4671
C               -0.6928     -0.0914      2.8289
C               -1.0875      1.0651      1.9375
C                0.7427     -0.5001      2.6051
C                0.5222      0.3092      0.2245
H               -1.1367      1.6098     -0.1579
H               -0.8369      0.1924      3.9054
H               -2.1557      1.3457      2.1284
H                0.9270     -1.5011      3.0752
C                1.1679      0.8694     -0.9029
C               -1.8754     -0.4107      0.0942
H               -1.3696     -0.9639      2.6274
H               -0.4528      1.9574      2.1761
H                1.4215      0.2372      3.1132
O                0.7485      1.6999     -1.7479
O                2.4863      0.5132     -1.1308
C               -2.2448     -0.4147     -1.3691
H               -2.8236     -0.2742      0.6809
H               -1.4366     -1.4018      0.3745
O               -3.1555      0.2505     -1.7914
C               -1.4983     -1.3278     -2.2462
C               -0.2786     -1.8170     -1.9843
H               -2.0121     -1.5644     -3.1927
H                0.2982     -1.5747     -1.0747
H                0.2336     -2.4728     -2.7018
C                2.9249      1.2135     -2.2733
H                4.0206      1.2269     -2.2953
H                2.5476      2.2419     -2.2388
H                2.5476      0.7159     -3.1740
31
M2
O                2.1487     -1.3128      0.8741
C                1.1871     -0.5521      1.1418
C               -0.8923      0.7041      0.4670
C               -0.6868     -0.0936      2.8278
C               -1.0841      1.0636      1.9386
C                0.7471     -0.5038      2.5974
C                0.5144      0.3032      0.2161
H               -1.1409      1.6109     -0.1557
H               -0.8255      0.1902      3.9052
H               -2.1510      1.3456      2.1349
H                0.9338     -1.5029      3.0707
C                1.1596      0.8669     -0.9094
C               -1.8872     -0.4061      0.0973
H               -1.3656     -0.9653      2.6294
H               -0.4471      1.9550      2.1745
H                1.4294      0.2353      3.0981
O                0.7409      1.7024     -1.7501
O                2.4775      0.5099     -1.1401
C               -2.2446     -0.4178     -1.3690
H               -2.8379     -0.2566      0.6770
H               -1.4585     -1.3989      0.3880
O               -3.1615      0.2370     -1.7988
C               -1.4788     -1.3169     -2.2407
C               -0.2645     -1.8150     -1.9567
H               -1.9669     -1.5354     -3.2058
H                0.2919     -1.5950     -1.0294
H                0.2614     -2.4582     -2.6759
C                2.9154      1.2145     -2.2802
H                4.0110      1.2284     -2.3026
H                2.5377      2.2427     -2.2417
H                2.5377      0.7202     -3.1826
31
M3
O                2.1394     -1.3259      0.8693
C                1.1838     -0.5600      1.1380
C               -0.8959      0.6989      0.4649
C               -0.6818     -0.0891      2.8286
C               -1.0812      1.0646      1.9358
C                0.7512     -0.5001      2.5953
C                0.5083      0.2935      0.2094
H               -1.1439      1.6048     -0.1598
H               -0.8171      0.1989      3.9052
H               -2.1470      1.3488      2.1353
H                0.9412     -1.4952      3.0757
C                1.1537      0.8564     -0.9160
C               -1.8970     -0.4083      0.1026
H               -1.3612     -0.9614      2.6355
H               -0.4423      1.9563      2.1653
H                1.4354      0.2435      3.0864
O                0.7357      1.6914     -1.7577
O                2.4724      0.5006     -1.1446
C               -2.2541     -0.4258     -1.3636
H               -2.8463     -0.2503      0.6823
H               -1.4741     -1.4020      0.3985
O               -3.1906      0.2059     -1.7888
C               -1.4617     -1.2904     -2.2419
C               -0.2551     -1.8024     -1.9385
H               -1.9152     -1.4693     -3.2299
H                0.2697     -1.6260     -0.9866
H                0.2947     -2.4137     -2.6667
C                2.9100      1.2028     -2.2864
H                4.0057      1.2167     -2.3090
H                2.5322      2.2310     -2.2500
H                2.5322      0.7065     -3.1876
31
M4
O                2.1299     -1.3391      0.8645
C                1.1804     -0.5681      1.1342
C               -0.8996      0.6937      0.4628
C               -0.6768     -0.0847      2.8293
C               -1.0785      1.0656      1.9330
C                0.7552     -0.4966      2.5931
C                0.5022      0.2837      0.2026
H               -1.1470      1.5986     -0.1640
H               -0.8088      0.2075      3.9052
H               -2.1431      1.3518      2.1356
H                0.9484     -1.4876      3.0806
C                1.1478      0.8458     -0.9228
C               -1.9069     -0.4105      0.1079
H               -1.3569     -0.9575      2.6416
H               -0.4375      1.9575      2.1560
H                1.4413      0.2516      3.0746
O                0.7303      1.6802     -1.7654
O                2.4672      0.4912     -1.1493
C               -2.2637     -0.4339     -1.3583
H               -2.8547     -0.2441      0.6875
H               -1.4898     -1.4053      0.4089
O               -3.2198      0.1747     -1.7789
C               -1.4447     -1.2640     -2.2432
C               -0.2459     -1.7899     -1.9205
H               -1.8636     -1.4032     -3.2540
H                0.2473     -1.6571     -0.9439
H                0.3279     -2.3692     -2.6575
C                2.9047      1.1911     -2.2925
H                4.0004      1.2051     -2.3152
H                2.5269      2.2194     -2.2581
H                2.5269      0.6930     -3.1927
31
M5
O                2.1166     -1.3565      0.8595
C                1.1751     -0.5779      1.1297
C               -0.9038      0.6880      0.4591
C               -0.6727     -0.0773      2.8293
C               -1.0759      1.0685      1.9280
C                0.7579     -0.4929      2.5901
C                0.4959      0.2738      0.1955
H               -1.1514      1.5903     -0.1712
H               -0.8000      0.2217      3.9039
H               -2.1390      1.3580      2.1335
H                0.9523     -1.4794      3.0860
C                1.1428      0.8350     -0.9291
C               -1.9161     -0.4149      0.1146
H               -1.3551     -0.9502      2.6495
H               -0.4321      1.9602      2.1432
H                1.4469      0.2592      3.0611
O                0.7290      1.6733     -1.7696
O                2.4609      0.4753     -1.1570
C               -2.2754     -0.4478     -1.3506
H               -2.8617     -0.2410      0.6957
H               -1.5019     -1.4092      0.4211
O               -3.2576      0.1239     -1.7648
C               -1.4254     -1.2315     -2.2433
C               -0.2358     -1.7751     -1.9055
H               -1.8057     -1.3188     -3.2727
H                0.2200     -1.6988     -0.9085
H                0.3651     -2.3120     -2.6510
C                2.9014      1.1777     -2.2975
H                3.9972      1.1903     -2.3181
H                2.5248      2.2063     -2.2612
H                2.5248      0.6823     -3.1997
31
M6
O                2.1031     -1.3740      0.8546
C                1.1697     -0.5878      1.1253
C               -0.9081      0.6823      0.4554
C               -0.6687     -0.0700      2.8293
C               -1.0733      1.0712      1.9230
C                0.7604     -0.4893      2.5871
C                0.4895      0.2639      0.1884
H               -1.1558      1.5820     -0.1784
H               -0.7913      0.2358      3.9026
H               -2.1350      1.3642      2.1314
H                0.9561     -1.4713      3.0915
C                1.1378      0.8241     -0.9353
C               -1.9253     -0.4193      0.1213
H               -1.3534     -0.9429      2.6575
H               -0.4268      1.9629      2.1304
H                1.4524      0.2667      3.0476
O                0.7276      1.6663     -1.7738
O                2.4545      0.4594     -1.1648
C               -2.2872     -0.4617     -1.3429
H               -2.8688     -0.2381      0.7038
H               -1.5142     -1.4133      0.4333
O               -3.2954      0.0729     -1.7507
C               -1.4061     -1.1991     -2.2434
C               -0.2259     -1.7603     -1.8905
H               -1.7479     -1.2344     -3.2915
H                0.1925     -1.7406     -0.8731
H                0.4021     -2.2549     -2.6445
C                2.8982      1.1643     -2.3025
H                3.9940      1.1757     -2.3208
H                2.5227      2.1933     -2.2641
H                2.5227      0.6719     -3.2068
31
M7
O                2.0863     -1.3949      0.8499
C                1.1621     -0.6000      1.1204
C               -0.9119      0.6761      0.4497
C               -0.6667     -0.0606      2.8279
C               -1.0706      1.0758      1.9152
C                0.7596     -0.4878      2.5831
C                0.4837      0.2534      0.1804
H               -1.1599      1.5722     -0.1892
H               -0.7836      0.2533      3.8994
H               -2.1304      1.3739      2.1253
H                0.9536     -1.4663      3.0949
C                1.1356      0.8136     -0.9406
C               -1.9336     -0.4251      0.1282
H               -1.3556     -0.9319      2.6651
H               -0.4204      1.9666      2.1143
H                1.4565      0.2693      3.0343
O                0.7301      1.6592     -1.7783
O                2.4523      0.4460     -1.1675
C               -2.3012     -0.4808     -1.3339
H               -2.8738     -0.2373      0.7135
H               -1.5244     -1.4179      0.4462
O               -3.3357      0.0090     -1.7328
C               -1.3923     -1.1678     -2.2416
C               -0.2161     -1.7396     -1.8823
H               -1.7035     -1.1560     -3.2978
H                0.1705     -1.7732     -0.8554
H                0.4370     -2.1914     -2.6402
C                2.9009      1.1531     -2.3019
H                3.9967      1.1624     -2.3169
H                2.5272      2.1826     -2.2620
H                2.5272      0.6637     -3.2087
31
M8
O                2.0695     -1.4158      0.8454
C                1.1546     -0.6121      1.1157
C               -0.9158      0.6699      0.4441
C               -0.6647     -0.0513      2.8267
C               -1.0678      1.0804      1.9076
C                0.7588     -0.4863      2.5792
C                0.4779      0.2429      0.1725
H               -1.1639      1.5624     -0.2000
H               -0.7759      0.2707      3.8964
H               -2.1258      1.3835      2.1192
H                0.9510     -1.4612      3.0984
C                1.1333      0.8032     -0.9458
C               -1.9419     -0.4309      0.1353
H               -1.3578     -0.9208      2.6728
H               -0.4139      1.9703      2.0982
H                1.4606      0.2719      3.0211
O                0.7325      1.6520     -1.7828
O                2.4500      0.4327     -1.1702
C               -2.3151     -0.4999     -1.3247
H               -2.8789     -0.2366      0.7233
H               -1.5345     -1.4226      0.4593
O               -3.3760     -0.0549     -1.7149
C               -1.3786     -1.1365     -2.2396
C               -0.2063     -1.7189     -1.8740
H               -1.6591     -1.0775     -3.3041
H                0.1485     -1.8058     -0.8375
H                0.4719     -2.1280     -2.6358
C                2.9036      1.1419     -2.3014
H                3.9995      1.1490     -2.3128
H                2.5320      2.1721     -2.2599
H                2.5320      0.6557     -3.2106
31
M9
O                2.0527     -1.4357      0.8386
C                1.1479     -0.6229      1.1099
C               -0.9202      0.6652      0.4397
C               -0.6610     -0.0452      2.8250
C               -1.0657      1.0826      1.9019
C                0.7607     -0.4842      2.5743
C                0.4715      0.2339      0.1649
H               -1.1679      1.5555     -0.2074
H               -0.7674      0.2819      3.8937
H               -2.1225      1.3884      2.1165
H                0.9542     -1.4548      3.1010
C                1.1296      0.7942     -0.9512
C               -1.9512     -0.4333      0.1399
H               -1.3562     -0.9142      2.6783
H               -0.4095      1.9723      2.0859
H                1.4658      0.2768      3.0057
O                0.7337      1.6468     -1.7866
O                2.4455      0.4197     -1.1746
C               -2.3241     -0.5154     -1.3195
H               -2.8874     -0.2303      0.7262
H               -1.5476     -1.4241      0.4717
O               -3.4016     -0.1073     -1.7070
C               -1.3654     -1.1106     -2.2349
C               -0.1966     -1.7011     -1.8612
H               -1.6182     -1.0095     -3.3017
H                0.1260     -1.8354     -0.8216
H                0.5061     -2.0700     -2.6192
C                2.9031      1.1308     -2.3029
H                3.9990      1.1362     -2.3116
H                2.5329      2.1615     -2.2600
H                2.5329      0.6473     -3.2142
31
M10
O                2.0359     -1.4554      0.8318
C                1.1411     -0.6337      1.1042
C               -0.9245      0.6607      0.4353
C               -0.6573     -0.0391      2.8235
C               -1.0635      1.0849      1.8964
C                0.7627     -0.4821      2.5695
C                0.4651      0.2251      0.1575
H               -1.1719      1.5488     -0.2148
H               -0.7588      0.2932      3.8911
H               -2.1191      1.3935      2.1139
H                0.9575     -1.4483      3.1038
C                1.1259      0.7854     -0.9565
C               -1.9605     -0.4357      0.1445
H               -1.3546     -0.9075      2.6839
H               -0.4051      1.9744      2.0737
H                1.4710      0.2817      2.9903
O                0.7348      1.6416     -1.7904
O                2.4409      0.4068     -1.1788
C               -2.3331     -0.5308     -1.3142
H               -2.8959     -0.2239      0.7293
H               -1.5607     -1.4256      0.4842
O               -3.4272     -0.1596     -1.6990
C               -1.3522     -1.0846     -2.2301
C               -0.1869     -1.6831     -1.8483
H               -1.5772     -0.9414     -3.2991
H                0.1035     -1.8649     -0.8055
H                0.5403     -2.0119     -2.6025
C                2.9025      1.1195     -2.3045
H                3.9985      1.1233     -2.3104
H                2.5339      2.1508     -2.2602
H                2.5339      0.6387     -3.2177
31
M11
O                2.0258     -1.4685      0.8275
C                1.1364     -0.6428      1.0995
C               -0.9279      0.6565      0.4317
C               -0.6543     -0.0346      2.8219
C               -1.0608      1.0868      1.8917
C                0.7639     -0.4817      2.5653
C                0.4596      0.2163      0.1504
H               -1.1745      1.5431     -0.2207
H               -0.7517      0.3024      3.8885
H               -2.1150      1.3987      2.1113
H                0.9593     -1.4451      3.1046
C                1.1219      0.7770     -0.9623
C               -1.9689     -0.4370      0.1488
H               -1.3539     -0.9020      2.6878
H               -0.3999      1.9754      2.0635
H                1.4751      0.2834      2.9789
O                0.7339      1.6372     -1.7939
O                2.4357      0.3940     -1.1866
C               -2.3393     -0.5441     -1.3095
H               -2.9037     -0.2170      0.7312
H               -1.5737     -1.4261      0.4964
O               -3.4463     -0.2089     -1.6933
C               -1.3390     -1.0592     -2.2228
C               -0.1773     -1.6661     -1.8336
H               -1.5383     -0.8779     -3.2899
H                0.0838     -1.8916     -0.7932
H                0.5716     -1.9607     -2.5793
C                2.8995      1.1089     -2.3100
H                3.9955      1.1117     -2.3143
H                2.5318      2.1404     -2.2640
H                2.5318      0.6304     -3.2249
31
M12
O                2.0157     -1.4815      0.8232
C                1.1316     -0.6518      1.0949
C               -0.9314      0.6525      0.4281
C               -0.6514     -0.0299      2.8203
C               -1.0583      1.0888      1.8869
C                0.7650     -0.4811      2.5612
C                0.4540      0.2077      0.1433
H               -1.1773      1.5376     -0.2267
H               -0.7448      0.3118      3.8858
H               -2.1110      1.4039      2.1087
H                0.9609     -1.4418      3.1055
C                1.1177      0.7688     -0.9682
C               -1.9775     -0.4383      0.1532
H               -1.3534     -0.8964      2.6917
H               -0.3949      1.9766      2.0532
H                1.4791      0.2852      2.9675
O                0.7328      1.6330     -1.7975
O                2.4304      0.3813     -1.1944
C               -2.3455     -0.5573     -1.3049
H               -2.9116     -0.2101      0.7332
H               -1.5867     -1.4265      0.5086
O               -3.4655     -0.2582     -1.6876
C               -1.3258     -1.0336     -2.2154
C               -0.1679     -1.6490     -1.8189
H               -1.4994     -0.8144     -3.2806
H                0.0640     -1.9181     -0.7809
H                0.6029     -1.9094     -2.5560
C                2.8965      1.0983     -2.3155
H                3.9925      1.1000     -2.3182
H                2.5297      2.1300     -2.2677
H                2.5297      0.6222     -3.2320
31
M13
O                1.9998     -1.4995      0.8206
C                1.1247     -0.6621      1.0918
C               -0.9352      0.6473      0.4234
C               -0.6499     -0.0224      2.8187
C               -1.0568      1.0918      1.8801
C                0.7644     -0.4792      2.5580
C                0.4489      0.1992      0.1372
H               -1.1813      1.5293     -0.2354
H               -0.7388      0.3259      3.8823
H               -2.1079      1.4110      2.1031
H                0.9597     -1.4358      3.1094
C                1.1164      0.7598     -0.9717
C               -1.9842     -0.4431      0.1574
H               -1.3548     -0.8875      2.6977
H               -0.3906      1.9789      2.0393
H                1.4819      0.2886      2.9553
O                0.7379      1.6298     -1.7978
O                2.4266      0.3640     -1.1993
C               -2.3534     -0.5730     -1.2996
H               -2.9170     -0.2096      0.7373
H               -1.5942     -1.4298      0.5182
O               -3.4841     -0.3072     -1.6786
C               -1.3201     -1.0110     -2.2098
C               -0.1580     -1.6231     -1.8112
H               -1.4784     -0.7593     -3.2694
H                0.0532     -1.9329     -0.7813
H                0.6321     -1.8427     -2.5392
C                2.8981      1.0833     -2.3167
H                3.9941      1.0826     -2.3156
H                2.5334      2.1156     -2.2671
H                2.5334      0.6107     -3.2358
31
M14
O                1.9839     -1.5174      0.8179
C                1.1177     -0.6723      1.0885
C               -0.9389      0.6422      0.4186
C               -0.6485     -0.0147      2.8170
C               -1.0553      1.0950      1.8732
C                0.7637     -0.4772      2.5548
C                0.4438      0.1908      0.1310
H               -1.1853      1.5211     -0.2442
H               -0.7328      0.3401      3.8788
H               -2.1049      1.4181      2.0975
H                0.9585     -1.4298      3.1132
C                1.1152      0.7510     -0.9753
C               -1.9908     -0.4477      0.1615
H               -1.3562     -0.8784      2.7036
H               -0.3862      1.9812      2.0253
H                1.4847      0.2921      2.9431
O                0.7430      1.6268     -1.7982
O                2.4227      0.3469     -1.2043
C               -2.3614     -0.5886     -1.2944
H               -2.9224     -0.2091      0.7412
H               -1.6017     -1.4329      0.5278
O               -3.5027     -0.3562     -1.6696
C               -1.3143     -0.9882     -2.2044
C               -0.1482     -1.5972     -1.8036
H               -1.4575     -0.7041     -3.2582
H                0.0423     -1.9476     -0.7818
H                0.6612     -1.7759     -2.5226
C                2.8999      1.0680     -2.3180
H                3.9959      1.0648     -2.3130
H                2.5374      2.1011     -2.2669
H                2.5374      0.5988     -3.2397
31
M15
O                1.9704     -1.5331      0.8120
C                1.1119     -0.6821      1.0828
C               -0.9428      0.6374      0.4133
C               -0.6462     -0.0110      2.8136
C               -1.0535      1.0959      1.8666
C                0.7643     -0.4774      2.5492
C                0.4381      0.1821      0.1229
H               -1.1887      1.5147     -0.2520
H               -0.7266      0.3484      3.8741
H               -2.1017      1.4219      2.0930
H                0.9595     -1.4270      3.1127
C                1.1141      0.7458     -0.9786
C               -1.9992     -0.4500      0.1636
H               -1.3559     -0.8738      2.7057
H               -0.3824      1.9814      2.0133
H                1.4881      0.2929      2.9302
O                0.7477      1.6269     -1.7984
O                2.4207      0.3374     -1.2066
C               -2.3683     -0.6020     -1.2916
H               -2.9299     -0.2038      0.7409
H               -1.6137     -1.4341      0.5371
O               -3.5162     -0.3959     -1.6659
C               -1.3109     -0.9737     -2.1979
C               -0.1411     -1.5779     -1.7913
H               -1.4408     -0.6669     -3.2463
H                0.0302     -1.9613     -0.7791
H                0.6838     -1.7255     -2.4985
C                2.9035      1.0619     -2.3157
H                3.9995      1.0561     -2.3068
H                2.5432      2.0956     -2.2618
H                2.5432      0.5972     -3.2406
31
M16
O                1.9569     -1.5488      0.8060
C                1.1061     -0.6920      1.0771
C               -0.9468      0.6326      0.4079
C               -0.6438     -0.0072      2.8101
C               -1.0517      1.0968      1.8599
C                0.7649     -0.4777      2.5436
C                0.4324      0.1733      0.1147
H               -1.1921      1.5082     -0.2599
H               -0.7205      0.3566      3.8694
H               -2.0986      1.4257      2.0884
H                0.9604     -1.4243      3.1121
C                1.1130      0.7407     -0.9820
C               -2.0075     -0.4523      0.1657
H               -1.3556     -0.8691      2.7077
H               -0.3785      1.9816      2.0013
H                1.4914      0.2938      2.9172
O                0.7524      1.6271     -1.7986
O                2.4186      0.3278     -1.2089
C               -2.3751     -0.6153     -1.2889
H               -2.9375     -0.1985      0.7405
H               -1.6258     -1.4352      0.5463
O               -3.5297     -0.4357     -1.6622
C               -1.3075     -0.9592     -2.1915
C               -0.1340     -1.5585     -1.7790
H               -1.4240     -0.6296     -3.2344
H                0.0182     -1.9750     -0.7764
H                0.7064     -1.6752     -2.4744
C                2.9072      1.0557     -2.3132
H                4.0031      1.0473     -2.3004
H                2.5492      2.0900     -2.2564
H                2.5492      0.5957     -3.2413
31
M17
O                1.9440     -1.5650      0.7976
C                1.1007     -0.7028      1.0693
C               -0.9511      0.6264      0.4016
C               -0.6406     -0.0058      2.8051
C               -1.0497      1.0956      1.8525
C                0.7666     -0.4793      2.5359
C                0.4265      0.1634      0.1048
H               -1.1958      1.5009     -0.2679
H               -0.7133      0.3616      3.8635
H               -2.0953      1.4270      2.0835
H                0.9635     -1.4226      3.1094
C                1.1124      0.7386     -0.9844
C               -2.0166     -0.4551      0.1658
H               -1.3540     -0.8670      2.7078
H               -0.3745      1.9796      1.9884
H                1.4954      0.2938      2.9015
O                0.7563      1.6302     -1.7970
O                2.4187      0.3254     -1.2084
C               -2.3816     -0.6263     -1.2887
H               -2.9462     -0.1929      0.7375
H               -1.6404     -1.4374      0.5535
O               -3.5397     -0.4627     -1.6630
C               -1.3063     -0.9517     -2.1854
C               -0.1299     -1.5448     -1.7633
H               -1.4110     -0.6066     -3.2239
H                0.0046     -1.9887     -0.7708
H                0.7233     -1.6384     -2.4457
C                2.9127      1.0589     -2.3065
H                4.0085      1.0478     -2.2900
H                2.5568      2.0936     -2.2446
H                2.5568      0.6053     -3.2387
31
M18
O                1.9311     -1.5812      0.7892
C                1.0953     -0.7137      1.0616
C               -0.9553      0.6201      0.3954
C               -0.6374     -0.0045      2.8002
C               -1.0478      1.0942      1.8451
C                0.7683     -0.4810      2.5283
C                0.4206      0.1534      0.0951
H               -1.1996      1.4934     -0.2758
H               -0.7062      0.3665      3.8577
H               -2.0920      1.4283      2.0787
H                0.9667     -1.4209      3.1068
C                1.1118      0.7363     -0.9868
C               -2.0258     -0.4581      0.1661
H               -1.3523     -0.8650      2.7080
H               -0.3705      1.9775      1.9757
H                1.4994      0.2937      2.8858
O                0.7601      1.6332     -1.7954
O                2.4188      0.3228     -1.2077
C               -2.3882     -0.6375     -1.2884
H               -2.9548     -0.1874      0.7346
H               -1.6549     -1.4396      0.5608
O               -3.5497     -0.4899     -1.6637
C               -1.3051     -0.9443     -2.1793
C               -0.1259     -1.5312     -1.7475
H               -1.3980     -0.5836     -3.2133
H               -0.0090     -2.0024     -0.7651
H                0.7402     -1.6017     -2.4169
C                2.9182      1.0619     -2.2998
H                4.0139      1.0482     -2.2796
H                2.5645      2.0970     -2.2327
H                2.5645      0.6148     -3.2358
31
M19
O                1.9254     -1.5907      0.7773
C                1.0931     -0.7224      1.0516
C               -0.9594      0.6143      0.3895
C               -0.6327     -0.0076      2.7942
C               -1.0452      1.0902      1.8390
C                0.7720     -0.4849      2.5188
C                0.4143      0.1438      0.0837
H               -1.2027      1.4883     -0.2815
H               -0.6980      0.3648      3.8514
H               -2.0881      1.4261      2.0762
H                0.9726     -1.4229      3.0995
C                1.1102      0.7383     -0.9893
C               -2.0361     -0.4584      0.1641
H               -1.3483     -0.8678      2.7052
H               -0.3664      1.9728      1.9662
H                1.5046      0.2909      2.8708
O                0.7604      1.6400     -1.7929
O                2.4190      0.3286     -1.2066
C               -2.3930     -0.6433     -1.2915
H               -2.9651     -0.1777      0.7275
H               -1.6735     -1.4399      0.5661
O               -3.5546     -0.4968     -1.6719
C               -1.3037     -0.9465     -2.1727
C               -0.1243     -1.5266     -1.7240
H               -1.3836     -0.5821     -3.2059
H               -0.0273     -2.0184     -0.7502
H                0.7538     -1.5839     -2.3783
C                2.9216      1.0735     -2.2931
H                4.0173      1.0582     -2.2708
H                2.5692      2.1087     -2.2205
H                2.5692      0.6325     -3.2326
31
M20
O                1.9198     -1.6004      0.7654
C                1.0909     -0.7311      1.0417
C               -0.9635      0.6084      0.3837
C               -0.6281     -0.0108      2.7882
C               -1.0427      1.0862      1.8329
C                0.7757     -0.4889      2.5093
C                0.4081      0.1341      0.0725
H               -1.2059      1.4831     -0.2870
H               -0.6898      0.3630      3.8452
H               -2.0841      1.4239      2.0739
H                0.9785     -1.4251      3.0922
C                1.1086      0.7403     -0.9917
C               -2.0465     -0.4589      0.1622
H               -1.3443     -0.8707      2.7025
H               -0.3622      1.9681      1.9568
H                1.5097      0.2881      2.8560
O                0.7606      1.6467     -1.7903
O                2.4192      0.3344     -1.2054
C               -2.3978     -0.6492     -1.2945
H               -2.9754     -0.1682      0.7206
H               -1.6921     -1.4403      0.5715
O               -3.5595     -0.5037     -1.6799
C               -1.3023     -0.9489     -2.1660
C               -0.1227     -1.5220     -1.7005
H               -1.3692     -0.5807     -3.1985
H               -0.0456     -2.0346     -0.7352
H                0.7674     -1.5663     -2.3396
C                2.9252      1.0851     -2.2863
H                4.0208      1.0681     -2.2618
H                2.5741      2.1204     -2.2082
H                2.5741      0.6505     -3.2292
31
M21
O                1.9088     -1.6158      0.7538
C                1.0868     -0.7422      1.0312
C               -0.9682      0.6008      0.3763
C               -0.6232     -0.0133      2.7813
C               -1.0408      1.0815      1.8249
C                0.7798     -0.4911      2.4988
C                0.4012      0.1218      0.0597
H               -1.2092      1.4761     -0.2945
H               -0.6818      0.3626      3.8376
H               -2.0809      1.4205      2.0693
H                0.9873     -1.4231      3.0868
C                1.1091      0.7427     -0.9919
C               -2.0576     -0.4607      0.1593
H               -1.3393     -0.8737      2.6994
H               -0.3593      1.9633      1.9441
H                1.5142      0.2894      2.8363
O                0.7648      1.6552     -1.7845
O                2.4218      0.3408     -1.1994
C               -2.4049     -0.6565     -1.2980
H               -2.9857     -0.1602      0.7132
H               -1.7111     -1.4420      0.5753
O               -3.5679     -0.5166     -1.6862
C               -1.3041     -0.9499     -2.1614
C               -0.1242     -1.5164     -1.6810
H               -1.3597     -0.5782     -3.1930
H               -0.0642     -2.0494     -0.7260
H                0.7750     -1.5512     -2.3076
C                2.9338      1.0991     -2.2722
H                4.0293      1.0790     -2.2437
H                2.5851      2.1347     -2.1868
H                2.5851      0.6732     -3.2199
31
M22
O                1.8978     -1.6311      0.7422
C                1.0826     -0.7533      1.0207
C               -0.9730      0.5933      0.3688
C               -0.6184     -0.0158      2.7743
C               -1.0389      1.0769      1.8169
C                0.7839     -0.4933      2.4882
C                0.3942      0.1095      0.0468
H               -1.2126      1.4691     -0.3021
H               -0.6738      0.3623      3.8299
H               -2.0778      1.4171      2.0645
H                0.9960     -1.4211      3.0813
C                1.1095      0.7452     -0.9921
C               -2.0686     -0.4626      0.1562
H               -1.3343     -0.8766      2.6963
H               -0.3563      1.9585      1.9314
H                1.5187      0.2906      2.8164
O                0.7691      1.6637     -1.7789
O                2.4244      0.3472     -1.1935
C               -2.4120     -0.6637     -1.3017
H               -2.9959     -0.1521      0.7058
H               -1.7301     -1.4437      0.5790
O               -3.5762     -0.5295     -1.6927
C               -1.3058     -0.9509     -2.1570
C               -0.1257     -1.5109     -1.6617
H               -1.3503     -0.5758     -3.1876
H               -0.0828     -2.0642     -0.7168
H                0.7826     -1.5362     -2.2757
C                2.9425      1.1130     -2.2581
H                4.0377      1.0897     -2.2257
H                2.5961      2.1487     -2.1654
H                2.5961      0.6958     -3.2105
31
M23
O                1.8892     -1.6442      0.7299
C                1.0799     -0.7633      1.0099
C               -0.9776      0.5861      0.3616
C               -0.6129     -0.0197      2.7668
C               -1.0367      1.0717      1.8094
C                0.7892     -0.4955      2.4773
C                0.3872      0.0973      0.0337
H               -1.2157      1.4626     -0.3090
H               -0.6660      0.3594      3.8222
H               -2.0743      1.4128      2.0607
H                1.0062     -1.4196      3.0745
C                1.1101      0.7503     -0.9908
C               -2.0794     -0.4638      0.1524
H               -1.3279     -0.8814      2.6911
H               -0.3534      1.9533      1.9201
H                1.5240      0.2917      2.7973
O                0.7731      1.6760     -1.7696
O                2.4269      0.3564     -1.1862
C               -2.4182     -0.6684     -1.3066
H               -3.0060     -0.1438      0.6976
H               -1.7494     -1.4449      0.5814
O               -3.5824     -0.5313     -1.7016
C               -1.3083     -0.9571     -2.1530
C               -0.1281     -1.5074     -1.6400
H               -1.3434     -0.5870     -3.1851
H               -0.1017     -2.0787     -0.7053
H                0.7876     -1.5288     -2.2428
C                2.9504      1.1289     -2.2433
H                4.0455      1.1027     -2.2074
H                2.6064      2.1648     -2.1440
H                2.6064      0.7198     -3.2000
31
M24
O                1.8806     -1.6574      0.7174
C                1.0770     -0.7733      0.9988
C               -0.9824      0.5789      0.3543
C               -0.6075     -0.0235      2.7592
C               -1.0345      1.0665      1.8016
C                0.7944     -0.4978      2.4662
C                0.3802      0.0852      0.0205
H               -1.2189      1.4562     -0.3161
H               -0.6582      0.3564      3.8144
H               -2.0710      1.4085      2.0567
H                1.0163     -1.4180      3.0675
C                1.1105      0.7553     -0.9897
C               -2.0904     -0.4650      0.1485
H               -1.3217     -0.8861      2.6858
H               -0.3505      1.9481      1.9086
H                1.5291      0.2929      2.7781
O                0.7771      1.6883     -1.7605
O                2.4293      0.3656     -1.1792
C               -2.4246     -0.6731     -1.3117
H               -3.0162     -0.1355      0.6891
H               -1.7688     -1.4460      0.5836
O               -3.5886     -0.5331     -1.7107
C               -1.3108     -0.9633     -2.1492
C               -0.1306     -1.5040     -1.6184
H               -1.3366     -0.5983     -3.1828
H               -0.1207     -2.0933     -0.6940
H                0.7925     -1.5213     -2.2102
C                2.9584      1.1450     -2.2283
H                4.0533      1.1157     -2.1889
H                2.6166      2.1809     -2.1222
H                2.6166      0.7442     -3.1894
31
M25
O                1.8702     -1.6727      0.7052
C                1.0738     -0.7841      0.9876
C               -0.9876      0.5706      0.3469
C               -0.6011     -0.0274      2.7515
C               -1.0328      1.0602      1.7936
C                0.8012     -0.4985      2.4546
C                0.3724      0.0710      0.0065
H               -1.2221      1.4490     -0.3231
H               -0.6493      0.3538      3.8062
H               -2.0684      1.4021      2.0525
H                1.0303     -1.4134      3.0612
C                1.1111      0.7609     -0.9866
C               -2.1017     -0.4667      0.1434
H               -1.3133     -0.8918      2.6811
H               -0.3489      1.9425      1.8961
H                1.5346      0.2974      2.7560
O                0.7820      1.7032     -1.7464
O                2.4313      0.3745     -1.1707
C               -2.4310     -0.6762     -1.3184
H               -3.0266     -0.1279      0.6795
H               -1.7890     -1.4481      0.5837
O               -3.5944     -0.5298     -1.7216
C               -1.3142     -0.9709     -2.1468
C               -0.1345     -1.5016     -1.5983
H               -1.3312     -0.6150     -3.1830
H               -0.1405     -2.1086     -0.6853
H                0.7943     -1.5191     -2.1811
C                2.9674      1.1634     -2.2092
H                4.0620      1.1301     -2.1654
H                2.6284      2.1992     -2.0933
H                2.6284      0.7740     -3.1760
31
M26
O                1.8596     -1.6881      0.6929
C                1.0705     -0.7950      0.9763
C               -0.9930      0.5623      0.3395
C               -0.5947     -0.0314      2.7437
C               -1.0312      1.0539      1.7854
C                0.8078     -0.4992      2.4430
C                0.3645      0.0568     -0.0077
H               -1.2254      1.4418     -0.3301
H               -0.6404      0.3512      3.7980
H               -2.0658      1.3958      2.0483
H                1.0441     -1.4088      3.0549
C                1.1117      0.7665     -0.9836
C               -2.1132     -0.4685      0.1382
H               -1.3050     -0.8976      2.6762
H               -0.3473      1.9368      1.8836
H                1.5399      0.3019      2.7338
O                0.7868      1.7181     -1.7324
O                2.4332      0.3833     -1.1623
C               -2.4376     -0.6793     -1.3252
H               -3.0372     -0.1204      0.6698
H               -1.8092     -1.4502      0.5838
O               -3.6003     -0.5266     -1.7326
C               -1.3176     -0.9785     -2.1444
C               -0.1385     -1.4992     -1.5782
H               -1.3259     -0.6317     -3.1834
H               -0.1604     -2.1240     -0.6766
H                0.7960     -1.5169     -2.1521
C                2.9763      1.1817     -2.1898
H                4.0706      1.1444     -2.1417
H                2.6402      2.2173     -2.0640
H                2.6402      0.8041     -3.1622
31
M27
O                1.8289     -1.7272      0.6717
C                1.0592     -0.8204      0.9543
C               -1.0051      0.5439      0.3229
C               -0.5823     -0.0355      2.7277
C               -1.0288      1.0430      1.7663
C                0.8207     -0.4963      2.4185
C                0.3468      0.0242     -0.0378
H               -1.2335      1.4241     -0.3478
H               -0.6227      0.3515      3.7804
H               -2.0616      1.3848      2.0364
H                1.0743     -1.3909      3.0450
C                1.1156      0.7776     -0.9718
C               -2.1355     -0.4756      0.1279
H               -1.2884     -0.9055      2.6681
H               -0.3459      1.9279      1.8539
H                1.5495      0.3172      2.6810
O                0.8026      1.7507     -1.6941
O                2.4392      0.3992     -1.1356
C               -2.4532     -0.6853     -1.3388
H               -3.0566     -0.1127      0.6541
H               -1.8450     -1.4581      0.5800
O               -3.6151     -0.5167     -1.7509
C               -1.3305     -0.9942     -2.1435
C               -0.1471     -1.4885     -1.5499
H               -1.3310     -0.6750     -3.1905
H               -0.1897     -2.1540     -0.6770
H                0.7922     -1.5065     -2.1174
C                3.0015      1.2157     -2.1383
H                4.0948      1.1670     -2.0785
H                2.6734      2.2512     -1.9928
H                2.6734      0.8634     -3.1229
31
M28
O                1.7979     -1.7663      0.6531
C                1.0474     -0.8461      0.9329
C               -1.0181      0.5248      0.3064
C               -0.5686     -0.0377      2.7113
C               -1.0272      1.0321      1.7461
C                0.8350     -0.4907      2.3932
C                0.3274     -0.0117     -0.0688
H               -1.2417      1.4051     -0.3665
H               -0.6032      0.3557      3.7617
H               -2.0584      1.3727      2.0235
H                1.1075     -1.3686      3.0352
C                1.1186      0.7869     -0.9575
C               -2.1579     -0.4837      0.1164
H               -1.2695     -0.9126      2.6609
H               -0.3467      1.9200      1.8223
H                1.5594      0.3357      2.6254
O                0.8181      1.7832     -1.6486
O                2.4431      0.4115     -1.1065
C               -2.4686     -0.6884     -1.3544
H               -3.0760     -0.1085      0.6385
H               -1.8795     -1.4674      0.5725
O               -3.6295     -0.5018     -1.7707
C               -1.3440     -1.0075     -2.1452
C               -0.1564     -1.4767     -1.5272
H               -1.3396     -0.7237     -3.2013
H               -0.2159     -2.1852     -0.6871
H                0.7836     -1.4998     -2.0950
C                3.0271      1.2492     -2.0788
H                4.1190      1.1869     -2.0064
H                2.7082      2.2839     -1.9087
H                2.7082      0.9280     -3.0769
31
M29
O                1.7537     -1.8162      0.6407
C                1.0293     -0.8764      0.9134
C               -1.0322      0.5038      0.2884
C               -0.5559     -0.0331      2.6951
C               -1.0266      1.0245      1.7224
C                0.8472     -0.4813      2.3670
C                0.3067     -0.0511     -0.1004
H               -1.2515      1.3816     -0.3897
H               -0.5825      0.3701      3.7418
H               -2.0567      1.3645      2.0053
H                1.1391     -1.3394      3.0269
C                1.1235      0.7925     -0.9377
C               -2.1786     -0.4963      0.1058
H               -1.2527     -0.9119      2.6582
H               -0.3487      1.9159      1.7838
H                1.5678      0.3574      2.5629
O                0.8404      1.8201     -1.5845
O                2.4448      0.4103     -1.0804
C               -2.4855     -0.6949     -1.3688
H               -3.0933     -0.1130      0.6271
H               -1.9075     -1.4813      0.5630
O               -3.6486     -0.4997     -1.7838
C               -1.3600     -1.0146     -2.1509
C               -0.1627     -1.4561     -1.5188
H               -1.3584     -0.7684     -3.2153
H               -0.2276     -2.2142     -0.7201
H                0.7722     -1.4783     -2.0976
C                3.0571      1.2777     -2.0082
H                4.1466      1.1960     -1.9208
H                2.7504      2.3094     -1.8014
H                2.7504      1.0019     -3.0236
31
M30
O                1.7012     -1.8711      0.6345
C                1.0077     -0.9084      0.8964
C               -1.0471      0.4828      0.2717
C               -0.5417     -0.0242      2.6804
C               -1.0269      1.0182      1.6988
C                0.8599     -0.4688      2.3404
C                0.2851     -0.0915     -0.1304
H               -1.2621      1.3575     -0.4126
H               -0.5579      0.3926      3.7217
H               -2.0557      1.3570      1.9876
H                1.1734     -1.3039      3.0197
C                1.1281      0.7954     -0.9134
C               -2.1987     -0.5101      0.0954
H               -1.2343     -0.9069      2.6615
H               -0.3530      1.9139      1.7435
H                1.5764      0.3818      2.4951
O                0.8654      1.8588     -1.5033
O                2.4427      0.3995     -1.0601
C               -2.5008     -0.7006     -1.3836
H               -3.1108     -0.1209      0.6161
H               -1.9329     -1.4967      0.5519
O               -3.6673     -0.5030     -1.7970
C               -1.3727     -1.0134     -2.1574
C               -0.1653     -1.4306     -1.5159
H               -1.3768     -0.8097     -3.2299
H               -0.2297     -2.2410     -0.7654
H                0.7625     -1.4477     -2.1098
C                3.0833      1.2979     -1.9381
H                4.1698      1.1948     -1.8374
H                2.7891      2.3240     -1.6896
H                2.7891      1.0730     -2.9696
31
M31
O                1.6403     -1.9301      0.6335
C                0.9821     -0.9424      0.8814
C               -1.0618      0.4634      0.2556
C               -0.5273     -0.0114      2.6662
C               -1.0271      1.0148      1.6751
C                0.8717     -0.4551      2.3129
C                0.2635     -0.1307     -0.1587
H               -1.2722      1.3336     -0.4364
H               -0.5314      0.4200      3.7014
H               -2.0552      1.3519      1.9693
H                1.2067     -1.2658      3.0113
C                1.1336      0.7958     -0.8846
C               -2.2183     -0.5223      0.0862
H               -1.2165     -0.8969      2.6673
H               -0.3576      1.9147      1.7017
H                1.5842      0.4056      2.4234
O                0.8933      1.8971     -1.4054
O                2.4387      0.3818     -1.0452
C               -2.5150     -0.7083     -1.3967
H               -3.1282     -0.1271      0.6054
H               -1.9583     -1.5099      0.5433
O               -3.6868     -0.5190     -1.8081
C               -1.3836     -1.0080     -2.1634
C               -0.1626     -1.3978     -1.5181
H               -1.3976     -0.8535     -3.2432
H               -0.2192     -2.2630     -0.8256
H                0.7548     -1.4019     -2.1332
C                3.1073      1.3105     -1.8689
H                4.1903      1.1846     -1.7573
H                2.8256      2.3283     -1.5755
H                2.8256      1.1406     -2.9144
31
M32
O                1.5696     -1.9936      0.6361
C                0.9515     -0.9793      0.8664
C               -1.0762      0.4443      0.2381
C               -0.5135      0.0047      2.6512
C               -1.0259      1.0135      1.6489
C                0.8798     -0.4455      2.2833
C                0.2426     -0.1691     -0.1877
H               -1.2830      1.3091     -0.4623
H               -0.5014      0.4547      3.6784
H               -2.0517      1.3525      1.9483
H                1.2328     -1.2330      2.9987
C                1.1393      0.7932     -0.8540
C               -2.2370     -0.5352      0.0783
H               -1.2028     -0.8803      2.6780
H               -0.3584      1.9157      1.6556
H                1.5916      0.4196      2.3491
O                0.9216      1.9298     -1.2991
O                2.4338      0.3620     -1.0359
C               -2.5289     -0.7224     -1.4073
H               -3.1449     -0.1328      0.5944
H               -1.9817     -1.5223      0.5386
O               -3.7080     -0.5528     -1.8154
C               -1.3938     -1.0012     -2.1690
C               -0.1560     -1.3594     -1.5255
H               -1.4194     -0.8976     -3.2542
H               -0.1939     -2.2773     -0.8973
H                0.7478     -1.3404     -2.1656
C                3.1313      1.3240     -1.7949
H                4.2100      1.1719     -1.6749
H                2.8630      2.3282     -1.4473
H                2.8630      1.2197     -2.8524
31
M33
O                1.4872     -2.0619      0.6376
C                0.9153     -1.0193      0.8473
C               -1.0913      0.4261      0.2166
C               -0.4995      0.0238      2.6309
C               -1.0226      1.0155      1.6174
C                0.8859     -0.4389      2.2468
C                0.2205     -0.2073     -0.2209
H               -1.2955      1.2838     -0.4936
H               -0.4679      0.4929      3.6488
H               -2.0452      1.3600      1.9221
H                1.2554     -1.2036      2.9780
C                1.1449      0.7883     -0.8202
C               -2.2560     -0.5479      0.0710
H               -1.1919     -0.8573      2.6855
H               -0.3542      1.9171      1.6009
H                1.5992      0.4275      2.2672
O                0.9496      1.9546     -1.1880
O                2.4309      0.3442     -1.0168
C               -2.5445     -0.7438     -1.4154
H               -3.1620     -0.1368      0.5832
H               -2.0050     -1.5324      0.5391
O               -3.7321     -0.6034     -1.8190
C               -1.4069     -0.9968     -2.1751
C               -0.1483     -1.3167     -1.5397
H               -1.4469     -0.9471     -3.2635
H               -0.1539     -2.2857     -0.9847
H                0.7363     -1.2609     -2.2098
C                3.1585      1.3382     -1.7029
H                4.2321      1.1569     -1.5777
H                2.9045      2.3235     -1.2956
H                2.9045      1.3069     -2.7686
31
M34
O                1.3860     -2.1366      0.6401
C                0.8706     -1.0633      0.8254
C               -1.1067      0.4089      0.1916
C               -0.4840      0.0473      2.6072
C               -1.0172      1.0201      1.5808
C                0.8891     -0.4371      2.2053
C                0.1986     -0.2437     -0.2576
H               -1.3099      1.2577     -0.5297
H               -0.4277      0.5398      3.6126
H               -2.0351      1.3729      1.8915
H                1.2719     -1.1816      2.9506
C                1.1514      0.7818     -0.7819
C               -2.2750     -0.5605      0.0648
H               -1.1826     -0.8262      2.6956
H               -0.3462      1.9194      1.5383
H                1.6083      0.4238      2.1784
O                0.9782      1.9733     -1.0669
O                2.4303      0.3291     -0.9942
C               -2.5602     -0.7752     -1.4204
H               -3.1792     -0.1375      0.5697
H               -2.0292     -1.5391      0.5476
O               -3.7570     -0.6772     -1.8186
C               -1.4211     -0.9961     -2.1804
C               -0.1379     -1.2678     -1.5595
H               -1.4762     -0.9986     -3.2696
H               -0.0962     -2.2830     -1.0876
H                0.7215     -1.1608     -2.2621
C                3.1869      1.3532     -1.5999
H                4.2549      1.1414     -1.4746
H                2.9469      2.3128     -1.1278
H                2.9469      1.4016     -2.6683
31
M35
O                1.3312     -2.1627      0.6276
C                0.8448     -1.0788      0.8092
C               -1.1120      0.4105      0.1771
C               -0.4814      0.0586      2.5923
C               -1.0119      1.0291      1.5621
C                0.8812     -0.4471      2.1855
C                0.1914     -0.2459     -0.2741
H               -1.3191      1.2539     -0.5485
H               -0.4106      0.5585      3.5922
H               -2.0257      1.3908      1.8746
H                1.2575     -1.1929      2.9326
C                1.1551      0.7814     -0.7724
C               -2.2781     -0.5614      0.0654
H               -1.1893     -0.8044      2.6942
H               -0.3349      1.9230      1.5112
H                1.6120      0.4023      2.1491
O                0.9882      1.9724     -1.0622
O                2.4364      0.3299     -0.9509
C               -2.5663     -0.8011     -1.4134
H               -3.1825     -0.1327      0.5649
H               -2.0303     -1.5314      0.5626
O               -3.7661     -0.7333     -1.8010
C               -1.4324     -1.0120     -2.1821
C               -0.1356     -1.2424     -1.5859
H               -1.5008     -1.0416     -3.2676
H               -0.0452     -2.2589     -1.1526
H                0.6953     -1.0868     -2.2991
C                3.2073      1.3562     -1.5345
H                4.2723      1.1310     -1.4064
H                2.9745      2.3100     -1.0475
H                2.9745      1.4252     -2.6032
31
M36
O                1.2765     -2.1888      0.6151
C                0.8191     -1.0943      0.7930
C               -1.1171      0.4122      0.1626
C               -0.4787      0.0700      2.5774
C               -1.0065      1.0381      1.5433
C                0.8735     -0.4571      2.1656
C                0.1843     -0.2482     -0.2906
H               -1.3282      1.2502     -0.5673
H               -0.3934      0.5772      3.5717
H               -2.0163      1.4087      1.8577
H                1.2431     -1.2041      2.9146
C                1.1590      0.7811     -0.7630
C               -2.2811     -0.5624      0.0660
H               -1.1960     -0.7826      2.6927
H               -0.3234      1.9265      1.4841
H                1.6157      0.3807      2.1198
O                0.9984      1.9715     -1.0574
O                2.4425      0.3307     -0.9076
C               -2.5724     -0.8269     -1.4064
H               -3.1857     -0.1279      0.5601
H               -2.0313     -1.5238      0.5776
O               -3.7751     -0.7893     -1.7833
C               -1.4436     -1.0279     -2.1838
C               -0.1331     -1.2170     -1.6122
H               -1.5253     -1.0846     -3.2656
H                0.0059     -2.2348     -1.2176
H                0.6692     -1.0128     -2.3360
C                3.2275      1.3588     -1.4687
H                4.2893      1.1202     -1.3385
H                3.0018      2.3064     -0.9665
H                3.0018      1.4489     -2.5375
31
M37
O                1.2218     -2.2149      0.6027
C                0.7934     -1.1097      0.7768
C               -1.1222      0.4139      0.1482
C               -0.4760      0.0815      2.5625
C               -1.0011      1.0472      1.5246
C                0.8657     -0.4671      2.1458
C                0.1771     -0.2503     -0.3071
H               -1.3373      1.2465     -0.5861
H               -0.3762      0.5959      3.5513
H               -2.0068      1.4266      1.8408
H                1.2288     -1.2152      2.8965
C                1.1628      0.7808     -0.7535
C               -2.2842     -0.5632      0.0667
H               -1.2026     -0.7607      2.6912
H               -0.3120      1.9302      1.4570
H                1.6195      0.3593      2.0906
O                1.0085      1.9707     -1.0527
O                2.4487      0.3316     -0.8643
C               -2.5784     -0.8526     -1.3995
H               -3.1889     -0.1230      0.5552
H               -2.0323     -1.5160      0.5926
O               -3.7841     -0.8453     -1.7657
C               -1.4548     -1.0437     -2.1855
C               -0.1307     -1.1915     -1.6386
H               -1.5498     -1.1275     -3.2636
H                0.0569     -2.2106     -1.2826
H                0.6431     -0.9386     -2.3730
C                3.2475      1.3612     -1.4029
H                4.3060      1.1092     -1.2711
H                3.0287      2.3021     -0.8852
H                3.0287      1.4724     -2.4711
31
M38
O                1.1672     -2.2408      0.5902
C                0.7678     -1.1250      0.7607
C               -1.1273      0.4158      0.1337
C               -0.4733      0.0930      2.5476
C               -0.9956      1.0565      1.5058
C                0.8580     -0.4769      2.1259
C                0.1701     -0.2524     -0.3237
H               -1.3464      1.2430     -0.6049
H               -0.3589      0.6148      3.5309
H               -1.9972      1.4447      1.8239
H                1.2146     -1.2263      2.8785
C                1.1667      0.7806     -0.7441
C               -2.2871     -0.5640      0.0673
H               -1.2091     -0.7387      2.6898
H               -0.3005      1.9339      1.4300
H                1.6234      0.3380      2.0613
O                1.0188      1.9700     -1.0479
O                2.4550      0.3326     -0.8210
C               -2.5843     -0.8783     -1.3925
H               -3.1920     -0.1180      0.5504
H               -2.0332     -1.5082      0.6076
O               -3.7930     -0.9011     -1.7480
C               -1.4659     -1.0594     -2.1873
C               -0.1282     -1.1659     -1.6650
H               -1.5743     -1.1703     -3.2616
H                0.1081     -2.1862     -1.3476
H                0.6172     -0.8644     -2.4099
C                3.2673      1.3631     -1.3370
H                4.3224      1.0978     -1.2041
H                3.0555      2.2969     -0.8037
H                3.0555      1.4957     -2.4041
31
M39
O                1.1124     -2.2667      0.5776
C                0.7421     -1.1403      0.7444
C               -1.1324      0.4176      0.1191
C               -0.4706      0.1046      2.5325
C               -0.9901      1.0657      1.4870
C                0.8502     -0.4867      2.1060
C                0.1630     -0.2544     -0.3403
H               -1.3555      1.2394     -0.6239
H               -0.3417      0.6337      3.5104
H               -1.9877      1.4628      1.8069
H                1.2003     -1.2373      2.8604
C                1.1705      0.7805     -0.7347
C               -2.2901     -0.5647      0.0678
H               -1.2158     -0.7166      2.6882
H               -0.2891      1.9377      1.4028
H                1.6272      0.3167      2.0319
O                1.0289      1.9694     -1.0433
O                2.4612      0.3337     -0.7778
C               -2.5903     -0.9039     -1.3856
H               -3.1952     -0.1130      0.5455
H               -2.0343     -1.5003      0.6225
O               -3.8019     -0.9570     -1.7305
C               -1.4772     -1.0752     -2.1891
C               -0.1257     -1.1402     -1.6914
H               -1.5988     -1.2131     -3.2597
H                0.1592     -2.1619     -1.4128
H                0.5911     -0.7902     -2.4470
C                3.2869      1.3648     -1.2708
H                4.3385      1.0861     -1.1375
H                3.0820      2.2910     -0.7217
H                3.0820      1.5190     -2.3364
31
M40
O                1.0579     -2.2926      0.5650
C                0.7166     -1.1556      0.7281
C               -1.1374      0.4195      0.1046
C               -0.4677      0.1161      2.5175
C               -0.9845      1.0749      1.4682
C                0.8427     -0.4965      2.0861
C                0.1561     -0.2564     -0.3569
H               -1.3644      1.2359     -0.6428
H               -0.3243      0.6526      3.4898
H               -1.9781      1.4809      1.7899
H                1.1861     -1.2484      2.8423
C                1.1746      0.7803     -0.7253
C               -2.2929     -0.5654      0.0683
H               -1.2222     -0.6946      2.6867
H               -0.2774      1.9414      1.3756
H                1.6311      0.2953      2.0026
O                1.0392      1.9687     -1.0387
O                2.4675      0.3347     -0.7346
C               -2.5961     -0.9296     -1.3788
H               -3.1982     -0.1080      0.5406
H               -2.0351     -1.4924      0.6374
O               -3.8107     -1.0128     -1.7129
C               -1.4882     -1.0909     -2.1909
C               -0.1231     -1.1146     -1.7179
H               -1.6231     -1.2559     -3.2578
H                0.2105     -2.1376     -1.4779
H                0.5652     -0.7160     -2.4840
C                3.3061      1.3662     -1.2045
H                4.3541      1.0742     -1.0715
H                3.1081      2.2841     -0.6392
H                3.1081      1.5422     -2.2680
31
M41
O                1.0034     -2.3185      0.5524
C                0.6911     -1.1708      0.7117
C               -1.1423      0.4214      0.0899
C               -0.4648      0.1278      2.5024
C               -0.9789      1.0842      1.4492
C                0.8351     -0.5063      2.0660
C                0.1491     -0.2584     -0.3736
H               -1.3733      1.2324     -0.6618
H               -0.3069      0.6715      3.4692
H               -1.9684      1.4990      1.7728
H                1.1720     -1.2593      2.8240
C                1.1786      0.7803     -0.7161
C               -2.2958     -0.5661      0.0688
H               -1.2287     -0.6725      2.6850
H               -0.2658      1.9453      1.3483
H                1.6351      0.2741      1.9731
O                1.0496      1.9681     -1.0341
O                2.4739      0.3358     -0.6915
C               -2.6020     -0.9551     -1.3720
H               -3.2012     -0.1029      0.5355
H               -2.0359     -1.4845      0.6522
O               -3.8195     -1.0686     -1.6955
C               -1.4992     -1.1065     -2.1928
C               -0.1204     -1.0889     -1.7444
H               -1.6474     -1.2986     -3.2560
H                0.2617     -2.1132     -1.5431
H                0.5393     -0.6416     -2.5212
C                3.3251      1.3674     -1.1380
H                4.3694      1.0621     -1.0059
H                3.1338      2.2764     -0.5564
H                3.1338      1.5654     -2.1988
31
M42
O                0.9489     -2.3442      0.5398
C                0.6656     -1.1859      0.6954
C               -1.1473      0.4235      0.0753
C               -0.4619      0.1395      2.4874
C               -0.9733      1.0936      1.4304
C                0.8275     -0.5159      2.0461
C                0.1422     -0.2602     -0.3902
H               -1.3822      1.2291     -0.6807
H               -0.2895      0.6906      3.4487
H               -1.9587      1.5173      1.7558
H                1.1579     -1.2702      2.8059
C                1.1826      0.7803     -0.7067
C               -2.2986     -0.5666      0.0693
H               -1.2351     -0.6503      2.6835
H               -0.2542      1.9492      1.3211
H                1.6391      0.2530      1.9437
O                1.0599      1.9676     -1.0295
O                2.4803      0.3370     -0.6483
C               -2.6078     -0.9806     -1.3651
H               -3.2042     -0.0977      0.5306
H               -2.0367     -1.4764      0.6671
O               -3.8283     -1.1242     -1.6779
C               -1.5102     -1.1220     -2.1946
C               -0.1178     -1.0631     -1.7709
H               -1.6717     -1.3412     -3.2541
H                0.3130     -2.0887     -1.6082
H                0.5134     -0.5672     -2.5582
C                3.3439      1.3681     -1.0715
H                4.3845      1.0498     -0.9408
H                3.1592      2.2678     -0.4734
H                3.1592      1.5883     -2.1291
31
M43
O                0.9290     -2.3506      0.5184
C                0.6525     -1.1921      0.6799
C               -1.1489      0.4311      0.0661
C               -0.4619      0.1414      2.4770
C               -0.9674      1.0998      1.4210
C                0.8183     -0.5289      2.0334
C                0.1380     -0.2571     -0.4027
H               -1.3831      1.2369     -0.6895
H               -0.2801      0.6918      3.4367
H               -1.9490      1.5306      1.7482
H                1.1376     -1.2899      2.7908
C                1.1859      0.7824     -0.7024
C               -2.3034     -0.5546      0.0671
H               -1.2426     -0.6393      2.6779
H               -0.2423      1.9500      1.3110
H                1.6397      0.2294      1.9353
O                1.0698      1.9711     -1.0216
O                2.4810      0.3349     -0.6317
C               -2.6057     -1.0016     -1.3564
H               -3.2105     -0.0737      0.5104
H               -2.0510     -1.4517      0.6853
O               -3.8239     -1.1721     -1.6603
C               -1.5090     -1.1488     -2.1848
C               -0.1180     -1.0396     -1.7813
H               -1.6687     -1.4075     -3.2317
H                0.3522     -2.0455     -1.6526
H                0.4721     -0.5090     -2.5702
C                3.3527      1.3656     -1.0391
H                4.3907      1.0386     -0.9099
H                3.1724      2.2586     -0.4299
H                3.1724      1.6007     -2.0943
31
M44
O                0.9092     -2.3570      0.4970
C                0.6395     -1.1983      0.6643
C               -1.1504      0.4387      0.0570
C               -0.4619      0.1432      2.4665
C               -0.9614      1.1059      1.4116
C                0.8091     -0.5420      2.0207
C                0.1339     -0.2541     -0.4152
H               -1.3840      1.2446     -0.6983
H               -0.2706      0.6930      3.4247
H               -1.9391      1.5438      1.7406
H                1.1175     -1.3095      2.7757
C                1.1894      0.7845     -0.6980
C               -2.3080     -0.5426      0.0649
H               -1.2500     -0.6282      2.6722
H               -0.2303      1.9508      1.3009
H                1.6404      0.2058      1.9268
O                1.0798      1.9747     -1.0137
O                2.4817      0.3327     -0.6152
C               -2.6036     -1.0225     -1.3477
H               -3.2166     -0.0496      0.4903
H               -2.0652     -1.4271      0.7036
O               -3.8194     -1.2199     -1.6427
C               -1.5078     -1.1755     -2.1750
C               -0.1182     -1.0160     -1.7917
H               -1.6656     -1.4737     -3.2093
H                0.3916     -2.0022     -1.6970
H                0.4309     -0.4509     -2.5822
C                3.3612      1.3628     -1.0067
H                4.3968      1.0272     -0.8792
H                3.1853      2.2489     -0.3861
H                3.1853      1.6131     -2.0591
31
M45
O                0.8895     -2.3634      0.4756
C                0.6265     -1.2044      0.6488
C               -1.1519      0.4462      0.0478
C               -0.4618      0.1451      2.4560
C               -0.9553      1.1121      1.4022
C                0.8000     -0.5550      2.0081
C                0.1297     -0.2510     -0.4276
H               -1.3848      1.2524     -0.7070
H               -0.2611      0.6943      3.4128
H               -1.9293      1.5571      1.7330
H                1.0973     -1.3292      2.7607
C                1.1928      0.7865     -0.6937
C               -2.3127     -0.5306      0.0627
H               -1.2574     -0.6172      2.6666
H               -0.2183      1.9515      1.2907
H                1.6410      0.1822      1.9184
O                1.0898      1.9782     -1.0058
O                2.4825      0.3306     -0.5986
C               -2.6014     -1.0435     -1.3389
H               -3.2228     -0.0256      0.4701
H               -2.0794     -1.4024      0.7219
O               -3.8149     -1.2678     -1.6250
C               -1.5065     -1.2023     -2.1653
C               -0.1183     -0.9925     -1.8021
H               -1.6625     -1.5400     -3.1869
H                0.4309     -1.9590     -1.7414
H                0.3898     -0.3927     -2.5942
C                3.3698      1.3600     -0.9743
H                4.4028      1.0158     -0.8487
H                3.1982      2.2389     -0.3424
H                3.1982      1.6253     -2.0237
31
M46
O                0.8697     -2.3697      0.4542
C                0.6134     -1.2105      0.6333
C               -1.1533      0.4539      0.0386
C               -0.4617      0.1471      2.4456
C               -0.9493      1.1184      1.3929
C                0.7909     -0.5679      1.9954
C                0.1256     -0.2479     -0.4401
H               -1.3856      1.2603     -0.7158
H               -0.2517      0.6956      3.4008
H               -1.9194      1.5705      1.7253
H                1.0771     -1.3487      2.7456
C                1.1963      0.7887     -0.6894
C               -2.3174     -0.5184      0.0605
H               -1.2648     -0.6060      2.6609
H               -0.2063      1.9524      1.2806
H                1.6417      0.1586      1.9100
O                1.0998      1.9818     -0.9978
O                2.4833      0.3285     -0.5821
C               -2.5993     -1.0643     -1.3302
H               -3.2290     -0.0015      0.4499
H               -2.0936     -1.3777      0.7401
O               -3.8103     -1.3156     -1.6074
C               -1.5053     -1.2290     -2.1555
C               -0.1184     -0.9689     -1.8125
H               -1.6594     -1.6061     -3.1644
H                0.4702     -1.9157     -1.7857
H                0.3486     -0.3344     -2.6062
C                3.3781      1.3571     -0.9418
H                4.4086      1.0045     -0.8185
H                3.2107      2.2284     -0.2984
H                3.2107      1.6377     -1.9879
31
M47
O                0.8499     -2.3761      0.4328
C                0.6004     -1.2167      0.6177
C               -1.1548      0.4615      0.0295
C               -0.4617      0.1489      2.4351
C               -0.9433      1.1245      1.3835
C                0.7817     -0.5810      1.9827
C                0.1215     -0.2448     -0.4526
H               -1.3865      1.2680     -0.7246
H               -0.2422      0.6968      3.3888
H               -1.9096      1.5837      1.7177
H                1.0570     -1.3684      2.7305
C                1.1997      0.7908     -0.6850
C               -2.3220     -0.5064      0.0583
H               -1.2722     -0.5950      2.6553
H               -0.1943      1.9532      1.2705
H                1.6424      0.1350      1.9015
O                1.1098      1.9854     -0.9899
O                2.4840      0.3264     -0.5655
C               -2.5971     -1.0853     -1.3215
H               -3.2351      0.0226      0.4298
H               -2.1078     -1.3530      0.7584
O               -3.8058     -1.3634     -1.5898
C               -1.5041     -1.2557     -2.1457
C               -0.1186     -0.9453     -1.8229
H               -1.6563     -1.6724     -3.1420
H                0.5096     -1.8724     -1.8301
H                0.3074     -0.2763     -2.6182
C                3.3865      1.3539     -0.9092
H                4.4142      0.9929     -0.7884
H                3.2233      2.2176     -0.2545
H                3.2233      1.6498     -1.9518
31
M48
O                0.8302     -2.3824      0.4114
C                0.5875     -1.2228      0.6022
C               -1.1562      0.4692      0.0203
C               -0.4615      0.1509      2.4247
C               -0.9372      1.1308      1.3741
C                0.7727     -0.5939      1.9700
C                0.1175     -0.2417     -0.4651
H               -1.3872      1.2759     -0.7334
H               -0.2326      0.6981      3.3768
H               -1.8996      1.5971      1.7101
H                1.0369     -1.3879      2.7154
C                1.2033      0.7930     -0.6807
C               -2.3266     -0.4943      0.0561
H               -1.2795     -0.5838      2.6496
H               -0.1822      1.9541      1.2604
H                1.6432      0.1115      1.8931
O                1.1199      1.9890     -0.9820
O                2.4849      0.3243     -0.5490
C               -2.5949     -1.1061     -1.3128
H               -3.2412      0.0467      0.4096
H               -2.1219     -1.3283      0.7766
O               -3.8012     -1.4112     -1.5722
C               -1.5027     -1.2824     -2.1359
C               -0.1186     -0.9217     -1.8333
H               -1.6531     -1.7385     -3.1196
H                0.5490     -1.8291     -1.8745
H                0.2663     -0.2180     -2.6302
C                3.3945      1.3507     -0.8766
H                4.4198      0.9815     -0.7588
H                3.2355      2.2062     -0.2103
H                3.2355      1.6620     -1.9153
