35
1
H                0.9523     -1.6813     -1.2314
C               -0.0868     -1.4214     -0.8976
C               -1.7417     -1.6688      0.9476
C               -1.7785      0.4035     -0.4827
C               -1.9587     -0.1730      0.9462
C               -0.2945      0.0799     -0.9428
C               -0.3489     -2.0227      0.4684
H               -2.4959     -2.1280      0.2533
O               -2.6590     -0.1303     -1.3650
H               -1.2548      0.3153      1.6673
C                0.7267      0.8480     -0.1421
H                0.4128     -1.6557      1.2060
H               -0.8147     -1.8668     -1.6302
H               -1.9039     -2.0888      1.9745
H               -3.0037      0.0497      1.2792
H               -0.2243      0.4128     -2.0141
H               -0.2392     -3.1376      0.4120
H                0.8568      0.4667      0.9032
C                0.5187      2.3467     -0.1800
O                2.1064      0.6475     -0.8055
C               -0.8622      2.6803      0.3443
H                0.6257      2.7022     -1.2379
H                1.3071      2.8555      0.4321
C               -1.9357      1.9454     -0.4222
H               -1.0202      3.7884      0.2604
H               -0.9206      2.4212      1.4343
H               -2.9340      2.1669      0.0340
H               -1.9588      2.3157     -1.4794
S                3.2731     -0.1764     -0.0797
O                4.3669     -0.1796     -0.9395
O                3.4307      0.3033      1.2178
C                2.5708     -1.8523      0.0046
H                3.3006     -2.5317      0.4595
H                2.3301     -2.1988     -1.0070
H                1.6586     -1.8360      0.6119
35
M1
H                0.9494     -1.6944     -1.1978
C               -0.0889     -1.4247     -0.8703
C               -1.7557     -1.6638      0.9655
C               -1.8001      0.4080     -0.4639
C               -1.9723     -0.1678      0.9631
C               -0.2845      0.0750     -0.9233
C               -0.3602     -2.0186      0.4966
H               -2.5054     -2.1235      0.2670
O               -2.6655     -0.1310     -1.3512
H               -1.2645      0.3207      1.6800
C                0.7205      0.8479     -0.1174
H                0.3964     -1.6476      1.2370
H               -0.8160     -1.8693     -1.6041
H               -1.9250     -2.0827      1.9914
H               -3.0155      0.0557      1.3019
H               -0.2233      0.4082     -1.9930
H               -0.2504     -3.1337      0.4464
H                0.8603      0.4653      0.9249
C                0.5121      2.3451     -0.1589
O                2.1203      0.6613     -0.7789
C               -0.8711      2.6802      0.3577
H                0.6246      2.6991     -1.2166
H                1.2970      2.8557      0.4561
C               -1.9423      1.9482     -0.4143
H               -1.0270      3.7885      0.2726
H               -0.9360      2.4218      1.4473
H               -2.9422      2.1809      0.0309
H               -1.9526      2.3117     -1.4732
S                3.2847     -0.1719     -0.0918
O                4.3872     -0.1133     -0.9193
O                3.4222      0.2262      1.2145
C                2.6077     -1.8601     -0.1159
H                3.3410     -2.5538      0.3110
H                2.3882     -2.1509     -1.1495
H                1.6861     -1.8925      0.4764
35
M2
H                0.9462     -1.7083     -1.1640
C               -0.0913     -1.4288     -0.8429
C               -1.7701     -1.6596      0.9836
C               -1.8220      0.4116     -0.4449
C               -1.9863     -0.1635      0.9801
C               -0.2748      0.0692     -0.9036
C               -0.3718     -2.0153      0.5250
H               -2.5151     -2.1197      0.2809
O               -2.6724     -0.1325     -1.3371
H               -1.2745      0.3253      1.6930
C                0.7140      0.8470     -0.0926
H                0.3796     -1.6402      1.2683
H               -0.8176     -1.8727     -1.5778
H               -1.9465     -2.0775      2.0085
H               -3.0276      0.0608      1.3247
H               -0.2226      0.4028     -1.9717
H               -0.2619     -3.1305      0.4810
H                0.8636      0.4631      0.9468
C                0.5053      2.3428     -0.1376
O                2.1339      0.6744     -0.7521
C               -0.8803      2.6794      0.3714
H                0.6232      2.6952     -1.1952
H                1.2867      2.8551      0.4803
C               -1.9492      1.9502     -0.4063
H               -1.0341      3.7879      0.2851
H               -0.9516      2.4217      1.4604
H               -2.9506      2.1942      0.0280
H               -1.9466      2.3070     -1.4669
S                3.2960     -0.1682     -0.1037
O                4.4072     -0.0477     -0.8988
O                3.4133      0.1482      1.2114
C                2.6473     -1.8624     -0.2379
H                3.3730     -2.5660      0.1857
H                2.4757     -2.1054     -1.2927
H                1.7025     -1.9364      0.3126
35
M3
H                0.9426     -1.7232     -1.1301
C               -0.0940     -1.4339     -0.8153
C               -1.7848     -1.6564      1.0018
C               -1.8443      0.4143     -0.4258
C               -2.0006     -0.1601      0.9973
C               -0.2656      0.0625     -0.8838
C               -0.3839     -2.0130      0.5536
H               -2.5253     -2.1170      0.2949
O               -2.6796     -0.1350     -1.3230
H               -1.2849      0.3288      1.7060
C                0.7072      0.8452     -0.0676
H                0.3625     -1.6339      1.2996
H               -0.8197     -1.8770     -1.5513
H               -1.9683     -2.0732      2.0257
H               -3.0401      0.0650      1.3477
H               -0.2223      0.3965     -1.9503
H               -0.2737     -3.1284      0.5157
H                0.8664      0.4599      0.9688
C                0.4980      2.3394     -0.1162
O                2.1472      0.6864     -0.7252
C               -0.8900      2.6775      0.3851
H                0.6214      2.6903     -1.1736
H                1.2759      2.8535      0.5046
C               -1.9565      1.9512     -0.3981
H               -1.0417      3.7862      0.2976
H               -0.9677      2.4205      1.4737
H               -2.9595      2.2064      0.0252
H               -1.9411      2.3012     -1.4604
S                3.3069     -0.1655     -0.1155
O                4.4268      0.0168     -0.8783
O                3.4041      0.0693      1.2084
C                2.6895     -1.8588     -0.3607
H                3.4213     -2.5747      0.0307
H                2.5367     -2.0406     -1.4306
H                1.7385     -1.9814      0.1702
35
M4
H                0.9386     -1.7389     -1.0963
C               -0.0972     -1.4398     -0.7878
C               -1.8000     -1.6540      1.0199
C               -1.8670      0.4162     -0.4068
C               -2.0154     -0.1576      1.0144
C               -0.2567      0.0549     -0.8641
C               -0.3963     -2.0114      0.5820
H               -2.5359     -2.1150      0.3088
O               -2.6872     -0.1383     -1.3089
H               -1.2957      0.3316      1.7190
C                0.6999      0.8425     -0.0427
H                0.3449     -1.6283      1.3308
H               -0.8221     -1.8822     -1.5250
H               -1.9906     -2.0697      2.0428
H               -3.0531      0.0683      1.3706
H               -0.2225      0.3893     -1.9290
H               -0.2860     -3.1270      0.5504
H                0.8689      0.4559      0.9906
C                0.4904      2.3352     -0.0949
O                2.1600      0.6976     -0.6984
C               -0.9000      2.6748      0.3987
H                0.6192      2.6846     -1.1521
H                1.2648      2.8510      0.5288
C               -1.9642      1.9514     -0.3900
H               -1.0496      3.7837      0.3100
H               -0.9841      2.4185      1.4868
H               -2.9688      2.2179      0.0223
H               -1.9359      2.2946     -1.4541
S                3.3175     -0.1636     -0.1274
O                4.4460      0.0806     -0.8579
O                3.3945     -0.0104      1.2053
C                2.7339     -1.8494     -0.4828
H                3.4728     -2.5750     -0.1240
H                2.5995     -1.9691     -1.5640
H                1.7779     -2.0197      0.0252
35
M5
H                0.9343     -1.7556     -1.0627
C               -0.1007     -1.4466     -0.7605
C               -1.8154     -1.6525      1.0378
C               -1.8900      0.4171     -0.3880
C               -2.0304     -0.1559      1.0312
C               -0.2481      0.0465     -0.8446
C               -0.4090     -2.0108      0.6102
H               -2.5468     -2.1140      0.3224
O               -2.6951     -0.1425     -1.2951
H               -1.3068      0.3335      1.7317
C                0.6923      0.8389     -0.0181
H                0.3271     -1.6237      1.3619
H               -0.8248     -1.8882     -1.4989
H               -2.0131     -2.0672      2.0597
H               -3.0663      0.0708      1.3932
H               -0.2229      0.3812     -1.9079
H               -0.2986     -3.1266      0.5848
H                0.8710      0.4510      1.0123
C                0.4824      2.3302     -0.0739
O                2.1725      0.7079     -0.6718
C               -0.9103      2.6712      0.4122
H                0.6167      2.6780     -1.1309
H                1.2533      2.8477      0.5528
C               -1.9722      1.9507     -0.3821
H               -1.0578      3.7804      0.3222
H               -1.0009      2.4157      1.4998
H               -2.9784      2.2284      0.0192
H               -1.9311      2.2871     -1.4479
S                3.3277     -0.1626     -0.1395
O                4.4648      0.1434     -0.8376
O                3.3846     -0.0911      1.2020
C                2.7802     -1.8340     -0.6035
H                3.5268     -2.5669     -0.2768
H                2.6639     -1.8914     -1.6918
H                1.8201     -2.0509     -0.1215
35
M6
H                0.9298     -1.7730     -1.0295
C               -0.1044     -1.4542     -0.7337
C               -1.8310     -1.6518      1.0553
C               -1.9132      0.4173     -0.3696
C               -2.0457     -0.1551      1.0477
C               -0.2397      0.0373     -0.8255
C               -0.4219     -2.0110      0.6380
H               -2.5578     -2.1138      0.3357
O               -2.7033     -0.1475     -1.2817
H               -1.3181      0.3346      1.7440
C                0.6845      0.8345      0.0062
H                0.3091     -1.6198      1.3925
H               -0.8277     -1.8950     -1.4732
H               -2.0359     -2.0654      2.0762
H               -3.0797      0.0724      1.4155
H               -0.2235      0.3723     -1.8872
H               -0.3114     -3.1270      0.6188
H                0.8729      0.4453      1.0336
C                0.4743      2.3243     -0.0532
O                2.1848      0.7175     -0.6456
C               -0.9208      2.6669      0.4252
H                0.6140      2.6707     -1.1100
H                1.2416      2.8436      0.5764
C               -1.9804      1.9492     -0.3747
H               -1.0662      3.7762      0.3341
H               -1.0178      2.4120      1.5124
H               -2.9881      2.2382      0.0158
H               -1.9264      2.2789     -1.4421
S                3.3377     -0.1624     -0.1520
O                4.4835      0.2055     -0.8178
O                3.3744     -0.1725      1.1983
C                2.8281     -1.8131     -0.7214
H                3.5830     -2.5507     -0.4259
H                2.7291     -1.8087     -1.8129
H                1.8649     -2.0746     -0.2683
35
M7
H                0.9252     -1.7912     -0.9970
C               -0.1081     -1.4625     -0.7075
C               -1.8468     -1.6519      1.0721
C               -1.9365      0.4167     -0.3519
C               -2.0610     -0.1550      1.0635
C               -0.2314      0.0272     -0.8071
C               -0.4350     -2.0120      0.6651
H               -2.5690     -2.1143      0.3483
O               -2.7115     -0.1533     -1.2689
H               -1.3295      0.3349      1.7557
C                0.6767      0.8294      0.0298
H                0.2909     -1.6168      1.4224
H               -0.8308     -1.9027     -1.4482
H               -2.0587     -2.0644      2.0920
H               -3.0932      0.0733      1.4370
H               -0.2242      0.3626     -1.8672
H               -0.3242     -3.1281      0.6521
H                0.8748      0.4388      1.0542
C                0.4660      2.3176     -0.0332
O                2.1971      0.7262     -0.6201
C               -0.9314      2.6617      0.4375
H                0.6112      2.6625     -1.0899
H                1.2299      2.8387      0.5993
C               -1.9887      1.9468     -0.3679
H               -1.0748      3.7712      0.3452
H               -1.0349      2.4075      1.5242
H               -2.9980      2.2471      0.0116
H               -1.9219      2.2698     -1.4371
S                3.3476     -0.1630     -0.1652
O                4.5021      0.2667     -0.7987
O                3.3642     -0.2547      1.1939
C                2.8769     -1.7872     -0.8354
H                3.6553     -2.5207     -0.5962
H                2.7649     -1.7150     -1.9233
H                1.9268     -2.1046     -0.3906
35
M8
H                0.9322     -1.8155     -0.9523
C               -0.1014     -1.4773     -0.6791
C               -1.8659     -1.6541      1.0756
C               -1.9557      0.4173     -0.3444
C               -2.0775     -0.1567      1.0674
C               -0.2086      0.0105     -0.7846
C               -0.4505     -2.0182      0.6899
H               -2.5782     -2.1148      0.3421
O               -2.7040     -0.1581     -1.2702
H               -1.3444      0.3317      1.7590
C                0.6717      0.8167      0.0632
H                0.2652     -1.6208      1.4548
H               -0.8159     -1.9162     -1.4275
H               -2.0935     -2.0665      2.0912
H               -3.1091      0.0735      1.4424
H               -0.2154      0.3496     -1.8413
H               -0.3433     -3.1346      0.6839
H                0.8703      0.4276      1.0870
C                0.4672      2.3038     -0.0087
O                2.2265      0.7268     -0.5492
C               -0.9338      2.6542      0.4448
H                0.6256      2.6444     -1.0640
H                1.2250      2.8254      0.6302
C               -1.9849      1.9439     -0.3719
H               -1.0717      3.7640      0.3489
H               -1.0513      2.4028      1.5299
H               -2.9949      2.2588     -0.0122
H               -1.8969      2.2567     -1.4407
S                3.3745     -0.1476     -0.1952
O                4.4904      0.3172     -0.8544
O                3.4629     -0.2979      1.1276
C                2.8718     -1.7458     -0.9037
H                3.6491     -2.4931     -0.7074
H                2.7332     -1.6383     -1.9856
H                1.9303     -2.0688     -0.4450
35
M9
H                0.9391     -1.8399     -0.9077
C               -0.0946     -1.4922     -0.6508
C               -1.8849     -1.6565      1.0790
C               -1.9748      0.4178     -0.3371
C               -2.0939     -0.1585      1.0713
C               -0.1857     -0.0063     -0.7622
C               -0.4661     -2.0246      0.7145
H               -2.5874     -2.1156      0.3359
O               -2.6965     -0.1632     -1.2717
H               -1.3592      0.3284      1.7623
C                0.6668      0.8039      0.0966
H                0.2394     -1.6249      1.4870
H               -0.8011     -1.9300     -1.4070
H               -2.1283     -2.0687      2.0903
H               -3.1250      0.0734      1.4476
H               -0.2066      0.3363     -1.8154
H               -0.3623     -3.1412      0.7156
H                0.8659      0.4161      1.1197
C                0.4683      2.2897      0.0158
O                2.2560      0.7272     -0.4784
C               -0.9361      2.6465      0.4519
H                0.6400      2.6262     -1.0383
H                1.2200      2.8119      0.6609
C               -1.9810      1.9407     -0.3760
H               -1.0687      3.7565      0.3525
H               -1.0678      2.3978      1.5354
H               -2.9918      2.2703     -0.0360
H               -1.8718      2.2433     -1.4445
S                3.4014     -0.1324     -0.2254
O                4.4788      0.3674     -0.9101
O                3.5616     -0.3412      1.0612
C                2.8671     -1.7029     -0.9716
H                3.6562     -2.4534     -0.8477
H                2.6708     -1.5520     -2.0392
H                1.9523     -2.0496     -0.4774
35
M10
H                0.9459     -1.8646     -0.8633
C               -0.0879     -1.5074     -0.6227
C               -1.9041     -1.6591      1.0822
C               -1.9941      0.4181     -0.3299
C               -2.1105     -0.1605      1.0750
C               -0.1629     -0.0234     -0.7400
C               -0.4817     -2.0312      0.7390
H               -2.5967     -2.1165      0.3294
O               -2.6891     -0.1685     -1.2733
H               -1.3742      0.3249      1.7654
C                0.6618      0.7909      0.1298
H                0.2135     -1.6293      1.5190
H               -0.7864     -1.9440     -1.3866
H               -2.1632     -2.0711      2.0892
H               -3.1410      0.0732      1.4527
H               -0.1979      0.3229     -1.7898
H               -0.3814     -3.1480      0.7471
H                0.8614      0.4044      1.1522
C                0.4693      2.2754      0.0400
O                2.2853      0.7274     -0.4078
C               -0.9385      2.6386      0.4589
H                0.6543      2.6078     -1.0127
H                1.2150      2.7982      0.6915
C               -1.9772      1.9374     -0.3803
H               -1.0657      3.7489      0.3559
H               -1.0844      2.3926      1.5407
H               -2.9888      2.2816     -0.0600
H               -1.8469      2.2298     -1.4485
S                3.4282     -0.1174     -0.2558
O                4.4670      0.4174     -0.9661
O                3.6602     -0.3847      0.9946
C                2.8627     -1.6588     -1.0388
H                3.6614     -2.4078     -0.9899
H                2.6081     -1.4641     -2.0869
H                1.9779     -2.0332     -0.5114
35
M11
H                0.9527     -1.8895     -0.8189
C               -0.0813     -1.5227     -0.5946
C               -1.9233     -1.6619      1.0854
C               -2.0134      0.4182     -0.3228
C               -2.1270     -0.1628      1.0786
C               -0.1401     -0.0407     -0.7178
C               -0.4974     -2.0380      0.7634
H               -2.6060     -2.1176      0.3229
O               -2.6817     -0.1739     -1.2749
H               -1.3892      0.3211      1.7684
C                0.6567      0.7777      0.1630
H                0.1876     -1.6339      1.5510
H               -0.7717     -1.9582     -1.3663
H               -2.1981     -2.0737      2.0881
H               -3.1570      0.0728      1.4577
H               -0.1892      0.3092     -1.7641
H               -0.4006     -3.1550      0.7786
H                0.8569      0.3926      1.1847
C                0.4704      2.2610      0.0642
O                2.3147      0.7274     -0.3372
C               -0.9409      2.6305      0.4658
H                0.6686      2.5891     -0.9872
H                1.2100      2.7843      0.7221
C               -1.9735      1.9338     -0.3846
H               -1.0628      3.7410      0.3593
H               -1.1009      2.3872      1.5461
H               -2.9858      2.2927     -0.0841
H               -1.8220      2.2161     -1.4524
S                3.4550     -0.1026     -0.2861
O                4.4552      0.4672     -1.0221
O                3.7588     -0.4285      0.9280
C                2.8589     -1.6133     -1.1053
H                3.6644     -2.3560     -1.1329
H                2.5464     -1.3751     -2.1284
H                2.0068     -2.0191     -0.5481
35
M12
H                0.9594     -1.9146     -0.7747
C               -0.0748     -1.5383     -0.5667
C               -1.9427     -1.6649      1.0886
C               -2.0329      0.4180     -0.3157
C               -2.1438     -0.1652      1.0822
C               -0.1176     -0.0582     -0.6957
C               -0.5132     -2.0451      0.7878
H               -2.6156     -2.1189      0.3163
O               -2.6745     -0.1796     -1.2766
H               -1.4044      0.3172      1.7714
C                0.6515      0.7642      0.1960
H                0.1616     -1.6387      1.5830
H               -0.7571     -1.9725     -1.3460
H               -2.2332     -2.0766      2.0869
H               -3.1731      0.0722      1.4627
H               -0.1807      0.2954     -1.7386
H               -0.4199     -3.1623      0.8099
H                0.8521      0.3805      1.2171
C                0.4712      2.2463      0.0883
O                2.3438      0.7272     -0.2668
C               -0.9436      2.6222      0.4727
H                0.6826      2.5703     -0.9617
H                1.2048      2.7702      0.7526
C               -1.9699      1.9301     -0.3889
H               -1.0600      3.7330      0.3626
H               -1.1177      2.3817      1.5513
H               -2.9830      2.3037     -0.1082
H               -1.7973      2.2022     -1.4565
S                3.4817     -0.0879     -0.3166
O                4.4432      0.5169     -1.0782
O                3.8573     -0.4724      0.8613
C                2.8555     -1.5666     -1.1710
H                3.6649     -2.2982     -1.2758
H                2.4859     -1.2859     -2.1638
H                2.0384     -2.0068     -0.5880
35
M13
H                0.9660     -1.9398     -0.7306
C               -0.0684     -1.5539     -0.5389
C               -1.9621     -1.6680      1.0915
C               -2.0524      0.4178     -0.3089
C               -2.1605     -0.1678      1.0855
C               -0.0950     -0.0758     -0.6738
C               -0.5291     -2.0522      0.8119
H               -2.6251     -2.1203      0.3095
O               -2.6673     -0.1853     -1.2785
H               -1.4196      0.3131      1.7741
C                0.6462      0.7507      0.2289
H                0.1355     -1.6436      1.6147
H               -0.7426     -1.9870     -1.3260
H               -2.2683     -2.0795      2.0855
H               -3.1893      0.0715      1.4674
H               -0.1722      0.2814     -1.7132
H               -0.4393     -3.1696      0.8411
H                0.8474      0.3684      1.2493
C                0.4721      2.2316      0.1122
O                2.3730      0.7269     -0.1965
C               -0.9462      2.6138      0.4793
H                0.6967      2.5513     -0.9365
H                1.1996      2.7560      0.7829
C               -1.9664      1.9262     -0.3935
H               -1.0573      3.7248      0.3657
H               -1.1344      2.3760      1.5564
H               -2.9802      2.3145     -0.1326
H               -1.7726      2.1882     -1.4607
S                3.5083     -0.0734     -0.3472
O                4.4312      0.5664     -1.1345
O                3.9557     -0.5165      0.7944
C                2.8529     -1.5189     -1.2358
H                3.6631     -2.2344     -1.4172
H                2.4283     -1.1973     -2.1937
H                2.0725     -1.9960     -0.6320
35
M14
H                0.9529     -1.9765     -0.6800
C               -0.0810     -1.5834     -0.5112
C               -2.0002     -1.6688      1.0906
C               -2.0910      0.4254     -0.2980
C               -2.1891     -0.1674      1.0922
C               -0.0935     -0.1078     -0.6589
C               -0.5671     -2.0640      0.8350
H               -2.6521     -2.1128      0.2961
O               -2.6921     -0.1749     -1.2715
H               -1.4389      0.3060      1.7750
C                0.6318      0.7235      0.2415
H                0.0885     -1.6521      1.6432
H               -0.7431     -2.0220     -1.3044
H               -2.3264     -2.0824      2.0760
H               -3.2123      0.0767      1.4846
H               -0.1954      0.2476     -1.6939
H               -0.4867     -3.1812      0.8756
H                0.8480      0.3457      1.2588
C                0.4669      2.2030      0.1137
O                2.3903      0.7048     -0.1670
C               -0.9457      2.5997      0.4865
H                0.6877      2.5144     -0.9382
H                1.2021      2.7265      0.7764
C               -1.9774      1.9292     -0.3848
H               -1.0447      3.7117      0.3760
H               -1.1335      2.3612      1.5637
H               -2.9839      2.3352     -0.1237
H               -1.7795      2.1869     -1.4531
S                3.5450     -0.0357     -0.3591
O                4.4285      0.6568     -1.1328
O                4.0380     -0.4990      0.7597
C                2.9310     -1.4662     -1.3001
H                3.7642     -2.1434     -1.5204
H                2.4828     -1.1210     -2.2388
H                2.1762     -1.9962     -0.7080
35
M15
H                0.9397     -2.0135     -0.6296
C               -0.0937     -1.6131     -0.4837
C               -2.0384     -1.6698      1.0895
C               -2.1297      0.4328     -0.2872
C               -2.2178     -0.1673      1.0986
C               -0.0922     -0.1402     -0.6441
C               -0.6053     -2.0762      0.8578
H               -2.6793     -2.1055      0.2825
O               -2.7170     -0.1647     -1.2647
H               -1.4582      0.2985      1.7757
C                0.6173      0.6960      0.2539
H                0.0414     -1.6610      1.6715
H               -0.7438     -2.0572     -1.2830
H               -2.3845     -2.0857      2.0662
H               -3.2354      0.0816      1.5016
H               -0.2188      0.2135     -1.6748
H               -0.5343     -3.1931      0.9098
H                0.8485      0.3228      1.2681
C                0.4617      2.1741      0.1150
O                2.4075      0.6824     -0.1378
C               -0.9454      2.5853      0.4934
H                0.6785      2.4771     -0.9402
H                1.2045      2.6966      0.7697
C               -1.9885      1.9319     -0.3762
H               -1.0323      3.6984      0.3860
H               -1.1326      2.3460      1.5708
H               -2.9877      2.3555     -0.1150
H               -1.7865      2.1853     -1.4457
S                3.5816      0.0018     -0.3712
O                4.4257      0.7468     -1.1314
O                4.1203     -0.4819      0.7248
C                3.0100     -1.4116     -1.3633
H                3.8653     -2.0465     -1.6214
H                2.5363     -1.0458     -2.2814
H                2.2840     -1.9943     -0.7847
35
M16
H                0.9263     -2.0507     -0.5793
C               -0.1066     -1.6431     -0.4563
C               -2.0769     -1.6711      1.0884
C               -2.1687      0.4399     -0.2766
C               -2.2467     -0.1675      1.1049
C               -0.0910     -0.1727     -0.6295
C               -0.6436     -2.0886      0.8806
H               -2.7067     -2.0985      0.2689
O               -2.7421     -0.1548     -1.2581
H               -1.4778      0.2908      1.7762
C                0.6026      0.6683      0.2662
H               -0.0059     -1.6700      1.6997
H               -0.7446     -2.0927     -1.2617
H               -2.4429     -2.0891      2.0564
H               -3.2587      0.0863      1.5185
H               -0.2423      0.1792     -1.6558
H               -0.5820     -3.2053      0.9439
H                0.8487      0.2997      1.2773
C                0.4563      2.1450      0.1162
O                2.4245      0.6599     -0.1087
C               -0.9453      2.5706      0.5003
H                0.6692      2.4396     -0.9423
H                1.2067      2.6666      0.7629
C               -1.9998      1.9344     -0.3678
H               -1.0200      3.6848      0.3960
H               -1.1319      2.3307      1.5779
H               -2.9917      2.3757     -0.1065
H               -1.7936      2.1835     -1.4384
S                3.6180      0.0390     -0.3834
O                4.4227      0.8367     -1.1300
O                4.2024     -0.4649      0.6897
C                3.0896     -1.3554     -1.4252
H                3.9659     -1.9442     -1.7195
H                2.5889     -0.9724     -2.3218
H                2.3956     -1.9897     -0.8620
35
M17
H                0.9129     -2.0882     -0.5294
C               -0.1195     -1.6733     -0.4293
C               -2.1153     -1.6727      1.0869
C               -2.2076      0.4467     -0.2663
C               -2.2757     -0.1679      1.1109
C               -0.0899     -0.2056     -0.6152
C               -0.6819     -2.1013      0.9031
H               -2.7340     -2.0917      0.2549
O               -2.7672     -0.1451     -1.2517
H               -1.4974      0.2828      1.7765
C                0.5879      0.6403      0.2782
H               -0.0532     -1.6794      1.7276
H               -0.7454     -2.1285     -1.2407
H               -2.5013     -2.0928      2.0462
H               -3.2819      0.0907      1.5352
H               -0.2658      0.1446     -1.6372
H               -0.6298     -3.2177      0.9777
H                0.8490      0.2762      1.2862
C                0.4509      2.1156      0.1171
O                2.4415      0.6370     -0.0798
C               -0.9451      2.5557      0.5068
H                0.6598      2.4019     -0.9446
H                1.2089      2.6363      0.7558
C               -2.0111      1.9366     -0.3596
H               -1.0078      3.6709      0.4056
H               -1.1313      2.3151      1.5846
H               -2.9957      2.3956     -0.0982
H               -1.8008      2.1814     -1.4314
S                3.6544      0.0760     -0.3958
O                4.4196      0.9263     -1.1290
O                4.2844     -0.4483      0.6544
C                3.1700     -1.2973     -1.4858
H                4.0659     -1.8365     -1.8142
H                2.6412     -0.9008     -2.3601
H                2.5111     -1.9821     -0.9399
35
M18
H                0.8995     -2.1259     -0.4796
C               -0.1325     -1.7038     -0.4024
C               -2.1539     -1.6744      1.0853
C               -2.2467      0.4533     -0.2561
C               -2.3047     -0.1685      1.1167
C               -0.0888     -0.2386     -0.6010
C               -0.7204     -2.1142      0.9253
H               -2.7615     -2.0851      0.2407
O               -2.7924     -0.1357     -1.2455
H               -1.5171      0.2746      1.7766
C                0.5731      0.6120      0.2900
H               -0.1005     -1.6889      1.7553
H               -0.7463     -2.1644     -1.2199
H               -2.5597     -2.0968      2.0359
H               -3.3053      0.0949      1.5516
H               -0.2895      0.1098     -1.6187
H               -0.6777     -3.2303      1.0113
H                0.8492      0.2526      1.2949
C                0.4454      2.0860      0.1178
O                2.4584      0.6139     -0.0512
C               -0.9451      2.5406      0.5132
H                0.6504      2.3639     -0.9472
H                1.2110      2.6057      0.7485
C               -2.0225      1.9386     -0.3516
H               -0.9956      3.6568      0.4151
H               -1.1307      2.2992      1.5911
H               -2.9999      2.4153     -0.0901
H               -1.8081      2.1791     -1.4246
S                3.6907      0.1128     -0.4085
O                4.4165      1.0157     -1.1281
O                4.3664     -0.4318      0.6189
C                3.2506     -1.2378     -1.5448
H                4.1642     -1.7245     -1.9049
H                2.6930     -0.8316     -2.3964
H                2.6295     -1.9710     -1.0176
35
M19
H                0.8860     -2.1639     -0.4300
C               -0.1456     -1.7345     -0.3757
C               -2.1924     -1.6765      1.0834
C               -2.2857      0.4596     -0.2462
C               -2.3337     -0.1695      1.1223
C               -0.0878     -0.2720     -0.5871
C               -0.7588     -2.1274      0.9474
H               -2.7890     -2.0789      0.2263
O               -2.8176     -0.1265     -1.2395
H               -1.5368      0.2661      1.7764
C                0.5582      0.5835      0.3016
H               -0.1479     -1.6988      1.7828
H               -0.7472     -2.2007     -1.1994
H               -2.6182     -2.1010      2.0253
H               -3.3287      0.0989      1.5678
H               -0.3131      0.0747     -1.6004
H               -0.7255     -3.2432      1.0447
H                0.8494      0.2287      1.3034
C                0.4399      2.0561      0.1183
O                2.4754      0.5905     -0.0228
C               -0.9450      2.5252      0.5193
H                0.6409      2.3256     -0.9499
H                1.2131      2.5749      0.7411
C               -2.0340      1.9403     -0.3439
H               -0.9835      3.6424      0.4243
H               -1.1301      2.2831      1.5975
H               -3.0040      2.4347     -0.0823
H               -1.8154      2.1765     -1.4180
S                3.7270      0.1492     -0.4214
O                4.4134      1.1048     -1.1275
O                4.4484     -0.4157      0.5832
C                3.3315     -1.1767     -1.6022
H                4.2607     -1.6108     -1.9888
H                2.7478     -0.7640     -2.4329
H                2.7478     -1.9543     -1.0964
35
M20
H                0.8725     -2.2021     -0.3807
C               -0.1586     -1.7655     -0.3493
C               -2.2309     -1.6788      1.0812
C               -2.3247      0.4658     -0.2366
C               -2.3627     -0.1706      1.1276
C               -0.0867     -0.3055     -0.5735
C               -0.7972     -2.1407      0.9692
H               -2.8165     -2.0728      0.2116
O               -2.8428     -0.1176     -1.2338
H               -1.5564      0.2575      1.7760
C                0.5434      0.5548      0.3129
H               -0.1953     -1.7088      1.8100
H               -0.7482     -2.2372     -1.1791
H               -2.6767     -2.1054      2.0145
H               -3.3521      0.1026      1.5837
H               -0.3367      0.0394     -1.5824
H               -0.7734     -3.2564      1.0779
H                0.8495      0.2046      1.3116
C                0.4343      2.0260      0.1185
O                2.4923      0.5670      0.0053
C               -0.9450      2.5095      0.5252
H                0.6315      2.2871     -0.9530
H                1.2152      2.5439      0.7333
C               -2.0454      1.9418     -0.3364
H               -0.9713      3.6279      0.4333
H               -1.1295      2.2668      1.6035
H               -3.0081      2.4539     -0.0747
H               -1.8227      2.1737     -1.4117
S                3.7633      0.1855     -0.4346
O                4.4103      1.1936     -1.1271
O                4.5304     -0.3997      0.5471
C                3.4124     -1.1143     -1.6578
H                4.3559     -1.5205     -2.0400
H                2.8350     -0.6896     -2.4869
H                2.8350     -1.9161     -1.1834
35
M21
H                0.8590     -2.2404     -0.3318
C               -0.1716     -1.7965     -0.3233
C               -2.2695     -1.6811      1.0788
C               -2.3638      0.4718     -0.2272
C               -2.3917     -0.1719      1.1326
C               -0.0857     -0.3392     -0.5601
C               -0.8357     -2.1542      0.9906
H               -2.8439     -2.0669      0.1966
O               -2.8680     -0.1087     -1.2284
H               -1.5761      0.2487      1.7752
C                0.5286      0.5260      0.3239
H               -0.2427     -1.7190      1.8369
H               -0.7491     -2.2737     -1.1591
H               -2.7351     -2.1100      2.0033
H               -3.3754      0.1062      1.5993
H               -0.3604      0.0040     -1.5647
H               -0.8212     -3.2696      1.1107
H                0.8497      0.1803      1.3195
C                0.4288      1.9958      0.1184
O                2.5092      0.5433      0.0332
C               -0.9449      2.4938      0.5307
H                0.6220      2.2486     -0.9563
H                1.2173      2.5127      0.7252
C               -2.0568      1.9432     -0.3293
H               -0.9592      3.6132      0.4419
H               -1.1290      2.2503      1.6093
H               -3.0122      2.4730     -0.0675
H               -1.8300      2.1708     -1.4057
S                3.7996      0.2216     -0.4480
O                4.4071      1.2824     -1.1271
O                4.6123     -0.3839      0.5108
C                3.4934     -1.0507     -1.7115
H                4.4505     -1.4297     -2.0878
H                2.9226     -0.6140     -2.5389
H                2.9226     -1.8751     -1.2689
35
M22
H                0.8629     -2.2591     -0.2802
C               -0.1682     -1.8253     -0.2994
C               -2.2861     -1.6831      1.0647
C               -2.3926      0.4851     -0.2143
C               -2.4067     -0.1751      1.1364
C               -0.0867     -0.3731     -0.5602
C               -0.8556     -2.1637      1.0047
H               -2.8390     -2.0550      0.1673
O               -2.8932     -0.0822     -1.2181
H               -1.5841      0.2395      1.7735
C                0.5155      0.5051      0.3059
H               -0.2735     -1.7220      1.8544
H               -0.7251     -2.3214     -1.1339
H               -2.7738     -2.1209      1.9691
H               -3.3842      0.0976      1.6167
H               -0.3784     -0.0481     -1.5640
H               -0.8502     -3.2770      1.1366
H                0.8508      0.1781      1.3009
C                0.4095      1.9704      0.0808
O                2.5219      0.5383      0.0299
C               -0.9400      2.4828      0.5304
H                0.5633      2.2070     -0.9964
H                1.2154      2.4896      0.6482
C               -2.0790      1.9556     -0.2962
H               -0.9402      3.6018      0.4468
H               -1.0979      2.2336      1.6089
H               -3.0151      2.4807      0.0063
H               -1.8858      2.2059     -1.3673
S                3.8223      0.2349     -0.4319
O                4.4364      1.3138     -1.0556
O                4.6199     -0.4041      0.5139
C                3.5506     -0.9925     -1.7466
H                4.5178     -1.3443     -2.1235
H                2.9852     -0.5322     -2.5650
H                2.9852     -1.8405     -1.3436
35
M23
H                0.8666     -2.2782     -0.2286
C               -0.1649     -1.8543     -0.2756
C               -2.3030     -1.6854      1.0506
C               -2.4217      0.4981     -0.2014
C               -2.4220     -0.1786      1.1402
C               -0.0879     -0.4074     -0.5604
C               -0.8757     -2.1735      1.0186
H               -2.8342     -2.0434      0.1379
O               -2.9186     -0.0559     -1.2080
H               -1.5924      0.2300      1.7717
C                0.5022      0.4839      0.2877
H               -0.3045     -1.7254      1.8718
H               -0.7013     -2.3694     -1.1088
H               -2.8126     -2.1322      1.9348
H               -3.3933      0.0886      1.6341
H               -0.3966     -0.1004     -1.5633
H               -0.8793     -3.2846      1.1625
H                0.8516      0.1756      1.2823
C                0.3900      1.9447      0.0430
O                2.5343      0.5330      0.0264
C               -0.9353      2.4714      0.5300
H                0.5044      2.1651     -1.0366
H                1.2134      2.4661      0.5712
C               -2.1014      1.9677     -0.2633
H               -0.9214      3.5901      0.4515
H               -1.0669      2.2166      1.6085
H               -3.0182      2.4880      0.0801
H               -1.9418      2.2407     -1.3289
S                3.8449      0.2479     -0.4159
O                4.4655      1.3448     -0.9843
O                4.6272     -0.4246      0.5170
C                3.6086     -0.9318     -1.7803
H                4.5858     -1.2565     -2.1559
H                3.0489     -0.4478     -2.5888
H                3.0489     -1.8017     -1.4183
35
M24
H                0.8703     -2.2976     -0.1775
C               -0.1617     -1.8838     -0.2523
C               -2.3199     -1.6881      1.0361
C               -2.4507      0.5107     -0.1890
C               -2.4372     -0.1826      1.1435
C               -0.0892     -0.4421     -0.5611
C               -0.8958     -2.1836      1.0321
H               -2.8295     -2.0322      0.1081
O               -2.9440     -0.0301     -1.1982
H               -1.6006      0.2201      1.7695
C                0.4889      0.4623      0.2692
H               -0.3355     -1.7292      1.8888
H               -0.6775     -2.4178     -1.0841
H               -2.8515     -2.1439      1.9001
H               -3.4023      0.0793      1.6510
H               -0.4149     -0.1532     -1.5631
H               -0.9084     -3.2927      1.1880
H                0.8525      0.1727      1.2632
C                0.3705      1.9185      0.0049
O                2.5468      0.5273      0.0226
C               -0.9306      2.4597      0.5292
H                0.4455      2.1227     -1.0771
H                1.2113      2.4423      0.4937
C               -2.1238      1.9794     -0.2308
H               -0.9027      3.5780      0.4559
H               -1.0360      2.1992      1.6077
H               -3.0214      2.4950      0.1534
H               -1.9978      2.2751     -1.2910
S                3.8674      0.2604     -0.4003
O                4.4946      1.3754     -0.9134
O                4.6345     -0.4455      0.5196
C                3.6672     -0.8687     -1.8123
H                4.6540     -1.1664     -2.1848
H                3.1135     -0.3610     -2.6104
H                3.1135     -1.7588     -1.4927
35
M25
H                0.8739     -2.3174     -0.1266
C               -0.1586     -1.9135     -0.2291
C               -2.3368     -1.6910      1.0214
C               -2.4799      0.5231     -0.1767
C               -2.4526     -0.1868      1.1467
C               -0.0905     -0.4771     -0.5619
C               -0.9160     -2.1941      1.0455
H               -2.8248     -2.0213      0.0781
O               -2.9695     -0.0045     -1.1886
H               -1.6089      0.2099      1.7670
C                0.4754      0.4404      0.2504
H               -0.3666     -1.7333      1.9056
H               -0.6538     -2.4665     -1.0596
H               -2.8904     -2.1558      1.8652
H               -3.4114      0.0697      1.6678
H               -0.4332     -0.2062     -1.5630
H               -0.9376     -3.3011      1.2132
H                0.8532      0.1695      1.2440
C                0.3510      1.8921     -0.0334
O                2.5592      0.5212      0.0186
C               -0.9259      2.4477      0.5282
H                0.3865      2.0801     -1.1179
H                1.2092      2.4182      0.4161
C               -2.1463      1.9908     -0.1985
H               -0.8840      3.5657      0.4600
H               -1.0052      2.1815      1.6067
H               -3.0246      2.5016      0.2265
H               -2.0539      2.3092     -1.2532
S                3.8898      0.2727     -0.3849
O                4.5237      1.4058     -0.8427
O                4.6417     -0.4668      0.5220
C                3.7264     -0.8037     -1.8421
H                4.7227     -1.0750     -2.2095
H                3.1790     -0.2725     -2.6292
H                3.1790     -1.7121     -1.5658
35
M26
H                0.8773     -2.3374     -0.0761
C               -0.1556     -1.9436     -0.2063
C               -2.3539     -1.6943      1.0063
C               -2.5091      0.5351     -0.1649
C               -2.4680     -0.1914      1.1494
C               -0.0919     -0.5124     -0.5631
C               -0.9363     -2.2049      1.0584
H               -2.8203     -2.0107      0.0477
O               -2.9950      0.0208     -1.1794
H               -1.6173      0.1994      1.7642
C                0.4619      0.4182      0.2313
H               -0.3978     -1.7377      1.9219
H               -0.6302     -2.5155     -1.0355
H               -2.9295     -2.1681      1.8299
H               -3.4206      0.0597      1.6841
H               -0.4516     -0.2596     -1.5634
H               -0.9669     -3.3098      1.2381
H                0.8539      0.1660      1.2243
C                0.3313      1.8654     -0.0721
O                2.5714      0.5149      0.0142
C               -0.9214      2.4353      0.5268
H                0.3274      2.0372     -1.1591
H                1.2069      2.3937      0.3380
C               -2.1689      2.0019     -0.1666
H               -0.8655      3.5530      0.4638
H               -0.9745      2.1635      1.6052
H               -3.0279      2.5080      0.2992
H               -2.1101      2.3430     -1.2159
S                3.9121      0.2847     -0.3699
O                4.5526      1.4358     -0.7724
O                4.6489     -0.4883      0.5240
C                3.7859     -0.7369     -1.8696
H                4.7913     -0.9824     -2.2301
H                3.2451     -0.1823     -2.6450
H                3.2451     -1.6615     -1.6374
35
M27
H                0.8809     -2.3577     -0.0260
C               -0.1525     -1.9738     -0.1840
C               -2.3708     -1.6978      0.9908
C               -2.5383      0.5469     -0.1534
C               -2.4833     -0.1961      1.1518
C               -0.0933     -0.5479     -0.5647
C               -0.9565     -2.2158      1.0710
H               -2.8156     -2.0003      0.0169
O               -3.0205      0.0458     -1.1707
H               -1.6256      0.1888      1.7610
C                0.4485      0.3958      0.2117
H               -0.4289     -1.7423      1.9379
H               -0.6065     -2.5647     -1.0119
H               -2.9684     -2.1805      1.7942
H               -3.4297      0.0496      1.7000
H               -0.4700     -0.3132     -1.5642
H               -0.9961     -3.3187      1.2626
H                0.8546      0.1623      1.2043
C                0.3117      1.8385     -0.1113
O                2.5838      0.5084      0.0094
C               -0.9168      2.4228      0.5250
H                0.2684      1.9941     -1.2006
H                1.2048      2.3691      0.2595
C               -2.1914      2.0127     -0.1351
H               -0.8468      3.5401      0.4671
H               -0.9437      2.1453      1.6034
H               -3.0311      2.5142      0.3715
H               -2.1661      2.3767     -1.1789
S                3.9346      0.2964     -0.3553
O                4.5816      1.4656     -0.7025
O                4.6561     -0.5100      0.5256
C                3.8454     -0.6685     -1.8946
H                4.8596     -0.8892     -2.2467
H                3.3115     -0.0907     -2.6577
H                3.3115     -1.6071     -1.7070
35
M28
H                0.8844     -2.3780      0.0237
C               -0.1495     -2.0042     -0.1620
C               -2.3879     -1.7014      0.9748
C               -2.5675      0.5586     -0.1424
C               -2.4988     -0.2010      1.1537
C               -0.0947     -0.5834     -0.5667
C               -0.9769     -2.2269      1.0831
H               -2.8111     -1.9900     -0.0143
O               -3.0461      0.0708     -1.1623
H               -1.6340      0.1780      1.7574
C                0.4350      0.3733      0.1918
H               -0.4601     -1.7470      1.9535
H               -0.5829     -2.6140     -0.9886
H               -3.0075     -2.1931      1.7581
H               -3.4389      0.0394      1.7156
H               -0.4884     -0.3668     -1.5653
H               -1.0255     -3.3277      1.2866
H                0.8553      0.1585      1.1838
C                0.2920      1.8115     -0.1508
O                2.5961      0.5018      0.0042
C               -0.9123      2.4101      0.5228
H                0.2093      1.9509     -1.2426
H                1.2025      2.3443      0.1807
C               -2.2140      2.0235     -0.1039
H               -0.8283      3.5271      0.4701
H               -0.9130      2.1270      1.6012
H               -3.0344      2.5202      0.4434
H               -2.2223      2.4102     -1.1424
S                3.9569      0.3081     -0.3411
O                4.6105      1.4954     -0.6330
O                4.6632     -0.5318      0.5268
C                3.9050     -0.5990     -1.9169
H                4.9275     -0.7958     -2.2590
H                3.3781      0.0018     -2.6671
H                3.3781     -1.5494     -1.7742
35
M29
H                0.8880     -2.3987      0.0731
C               -0.1463     -2.0348     -0.1404
C               -2.4049     -1.7052      0.9585
C               -2.5967      0.5701     -0.1317
C               -2.5141     -0.2061      1.1553
C               -0.0960     -0.6193     -0.5691
C               -0.9971     -2.2383      1.0948
H               -2.8064     -1.9800     -0.0459
O               -3.0716      0.0955     -1.1543
H               -1.6424      0.1669      1.7533
C                0.4215      0.3505      0.1714
H               -0.4912     -1.7520      1.9687
H               -0.5592     -2.6636     -0.9657
H               -3.0464     -2.2060      1.7216
H               -3.4481      0.0289      1.7307
H               -0.5067     -0.4208     -1.5669
H               -1.0547     -3.3369      1.3103
H                0.8560      0.1544      1.1630
C                0.2724      1.7841     -0.1907
O                2.6085      0.4949     -0.0015
C               -0.9076      2.3972      0.5202
H                0.1503      1.9074     -1.2850
H                1.2004      2.3193      0.1014
C               -2.2365      2.0340     -0.0732
H               -0.8096      3.5139      0.4726
H               -0.8821      2.1084      1.5986
H               -3.0377      2.5260      0.5149
H               -2.2784      2.4434     -1.1062
S                3.9793      0.3195     -0.3273
O                4.6395      1.5248     -0.5639
O                4.6704     -0.5539      0.5277
C                3.9643     -0.5284     -1.9365
H                4.9946     -0.7026     -2.2672
H                3.4447      0.0950     -2.6731
H                3.4447     -1.4884     -1.8388
35
M30
H                0.8916     -2.4194      0.1220
C               -0.1432     -2.0655     -0.1193
C               -2.4218     -1.7091      0.9418
C               -2.6258      0.5815     -0.1215
C               -2.5295     -0.2113      1.1564
C               -0.0974     -0.6552     -0.5719
C               -1.0173     -2.2496      1.1062
H               -2.8018     -1.9700     -0.0779
O               -3.0971      0.1201     -1.1468
H               -1.6507      0.1558      1.7489
C                0.4081      0.3277      0.1507
H               -0.5223     -1.7570      1.9835
H               -0.5355     -2.7132     -0.9432
H               -3.0854     -2.2188      1.6847
H               -3.4572      0.0183      1.7455
H               -0.5251     -0.4747     -1.5688
H               -1.0839     -3.3462      1.3335
H                0.8568      0.1503      1.1417
C                0.2528      1.7568     -0.2311
O                2.6208      0.4880     -0.0075
C               -0.9030      2.3842      0.5172
H                0.0913      1.8639     -1.3277
H                1.1982      2.2942      0.0218
C               -2.2590      2.0445     -0.0429
H               -0.7910      3.5006      0.4748
H               -0.8513      2.0898      1.5955
H               -3.0409      2.5317      0.5860
H               -2.3345      2.4766     -1.0705
S                4.0018      0.3308     -0.3139
O                4.6685      1.5543     -0.4952
O                4.6777     -0.5761      0.5281
C                4.0232     -0.4572     -1.9532
H                5.0608     -0.6102     -2.2715
H                3.5109      0.1885     -2.6756
H                3.5109     -1.4246     -1.9002
35
M31
H                0.8953     -2.4400      0.1704
C               -0.1400     -2.0961     -0.0986
C               -2.4387     -1.7130      0.9246
C               -2.6549      0.5929     -0.1117
C               -2.5447     -0.2164      1.1571
C               -0.0986     -0.6911     -0.5752
C               -1.0374     -2.2610      1.1170
H               -2.7970     -1.9600     -0.1104
O               -3.1225      0.1448     -1.1397
H               -1.6589      0.1447      1.7440
C                0.3948      0.3049      0.1294
H               -0.5533     -1.7620      1.9978
H               -0.5117     -2.7628     -0.9212
H               -3.1242     -2.2317      1.6473
H               -3.4662      0.0078      1.7597
H               -0.5433     -0.5287     -1.5713
H               -1.1130     -3.3555      1.3563
H                0.8576      0.1462      1.1200
C                0.2333      1.7295     -0.2719
O                2.6333      0.4811     -0.0140
C               -0.8983      2.3713      0.5137
H                0.0324      1.8204     -1.3710
H                1.1962      2.2692     -0.0584
C               -2.2814      2.0550     -0.0131
H               -0.7722      3.4873      0.4764
H               -0.8204      2.0712      1.5920
H               -3.0440      2.5375      0.6566
H               -2.3905      2.5098     -1.0352
S                4.0243      0.3422     -0.3010
O                4.6976      1.5837     -0.4270
O                4.6850     -0.5982      0.5280
C                4.0816     -0.3857     -1.9670
H                5.1259     -0.5189     -2.2718
H                3.5767      0.2816     -2.6748
H                3.5767     -1.3585     -1.9582
