18
2
C               -1.0364     -1.1229      0.4061
N               -0.4040     -0.4450     -0.4560
N                0.5056      0.5479     -0.0729
S                1.2285      1.3163     -1.4453
O                0.3553      2.1205     -2.2621
O                2.1171      0.5053     -2.2382
C                2.2572      2.4511     -0.6100
H                2.8489      3.0414     -1.3444
H                2.9708      1.9322      0.0670
H                1.6611      3.1632      0.0022
C               -0.9598     -1.0227      1.9319
C               -2.0064     -2.1831     -0.1219
H                0.0905     -1.0022      2.2444
H               -1.4575     -1.8900      2.3804
H               -1.4575     -0.1041      2.2631
H               -1.4385     -3.0222     -0.5398
H               -2.6376     -1.7442     -0.9030
H               -2.6376     -2.5420      0.6991
18
M1
C               -1.0364     -1.1224      0.4146
N               -0.3966     -0.4368     -0.4367
N                0.5064      0.5478     -0.0506
S                1.2340      1.3210     -1.4491
O                0.3537      2.1192     -2.2642
O                2.1182      0.5029     -2.2396
C                2.2629      2.4571     -0.6195
H                2.8530      3.0490     -1.3540
H                2.9785      1.9387      0.0563
H                1.6670      3.1681     -0.0057
C               -0.9713     -1.0354      1.9417
C               -2.0027     -2.1775     -0.1304
H                0.0766     -1.0171      2.2623
H               -1.4720     -1.9068      2.3790
H               -1.4720     -0.1200      2.2772
H               -1.4317     -3.0087     -0.5598
H               -2.6340     -1.7288     -0.9059
H               -2.6340     -2.5502      0.6843
18
M2
C               -1.0365     -1.1221      0.4235
N               -0.3889     -0.4287     -0.4162
N                0.5058      0.5493     -0.0276
S                1.2394      1.3257     -1.4522
O                0.3535      2.1181     -2.2671
O                2.1195      0.4993     -2.2393
C                2.2689      2.4631     -0.6288
H                2.8544      3.0584     -1.3642
H                2.9888      1.9450      0.0428
H                1.6741      3.1714     -0.0106
C               -0.9855     -1.0469      1.9518
C               -1.9966     -2.1733     -0.1397
H               -1.4208     -2.9953     -0.5802
H               -2.6281     -1.7158     -0.9099
H               -2.6281     -2.5612      0.6677
H                0.0594     -1.0306      2.2822
H               -1.4898     -1.9219      2.3777
H               -1.4898     -0.1343      2.2897
18
M3
C               -1.0371     -1.1217      0.4324
N               -0.3814     -0.4213     -0.3960
N                0.5066      0.5490     -0.0055
S                1.2464      1.3289     -1.4560
O                0.3548      2.1149     -2.2713
O                2.1235      0.4953     -2.2391
C                2.2751      2.4688     -0.6380
H                2.8527      3.0709     -1.3741
H                3.0021      1.9514      0.0265
H                1.6806      3.1709     -0.0126
C               -0.9992     -1.0581      1.9616
C               -1.9925     -2.1678     -0.1481
H                0.0429     -1.0439      2.3010
H               -1.5067     -1.9364      2.3766
H               -1.5067     -0.1482      2.3021
H               -1.4130     -2.9812     -0.5995
H               -2.6242     -1.7013     -0.9126
H               -2.6242     -2.5697      0.6523
18
M4
C               -1.0374     -1.1218      0.4416
N               -0.3744     -0.4142     -0.3755
N                0.5066      0.5490      0.0160
S                1.2517      1.3335     -1.4602
O                0.3542      2.1144     -2.2744
O                2.1250      0.4934     -2.2413
C                2.2810      2.4745     -0.6473
H                2.8564      3.0784     -1.3836
H                3.0100      1.9573      0.0152
H                1.6868      3.1753     -0.0198
C               -1.9875     -2.1631     -0.1560
C               -1.0119     -1.0699      1.9715
H                0.0274     -1.0581      2.3193
H               -1.5224     -1.9516      2.3755
H               -1.5224     -0.1628      2.3148
H               -1.4039     -2.9677     -0.6177
H               -2.6194     -1.6880     -0.9151
H               -2.6194     -2.5789      0.6372
18
M5
C               -1.0381     -1.1220      0.4509
N               -0.3677     -0.4072     -0.3547
N                0.5061      0.5492      0.0370
S                1.2567      1.3382     -1.4647
O                0.3539      2.1146     -2.2782
O                2.1264      0.4919     -2.2440
C                2.2867      2.4803     -0.6566
H                2.8602      3.0858     -1.3931
H                3.0175      1.9633      0.0040
H                1.6928      3.1798     -0.0272
C               -1.9825     -2.1587     -0.1635
C               -1.0245     -1.0816      1.9813
H                0.0120     -1.0722      2.3373
H               -1.5379     -1.9664      2.3747
H               -1.5379     -0.1772      2.3274
H               -1.3945     -2.9544     -0.6351
H               -2.6145     -1.6757     -0.9175
H               -2.6145     -2.5881      0.6222
18
M6
C               -1.0389     -1.1226      0.4603
N               -0.3612     -0.4005     -0.3334
N                0.5057      0.5492      0.0580
S                1.2619      1.3429     -1.4691
O                0.3538      2.1149     -2.2821
O                2.1281      0.4907     -2.2470
C                2.2926      2.4863     -0.6660
H                2.8639      3.0933     -1.4028
H                3.0255      1.9694     -0.0072
H                1.6991      3.1845     -0.0347
C               -1.9773     -2.1544     -0.1710
C               -1.0377     -1.0933      1.9910
H               -0.0042     -1.0863      2.3555
H               -1.5541     -1.9810      2.3738
H               -1.5541     -0.1916      2.3395
H               -1.3847     -2.9410     -0.6522
H               -2.6094     -1.6635     -0.9197
H               -2.6094     -2.5976      0.6070
18
M7
C               -1.0397     -1.1233      0.4700
N               -0.3548     -0.3938     -0.3115
N                0.5053      0.5494      0.0789
S                1.2670      1.3477     -1.4735
O                0.3541      2.1156     -2.2863
O                2.1300      0.4900     -2.2503
C                2.2988      2.4924     -0.6753
H                2.8682      3.1005     -1.4127
H                3.0334      1.9758     -0.0182
H                1.7055      3.1897     -0.0427
C               -1.9721     -2.1500     -0.1785
C               -1.0510     -1.1055      2.0009
H               -0.0204     -1.1012      2.3738
H               -1.5703     -1.9961      2.3728
H               -1.5703     -0.2065      2.3520
H               -1.3749     -2.9270     -0.6693
H               -2.6044     -1.6510     -0.9218
H               -2.6044     -2.6069      0.5914
18
M8
C               -1.0408     -1.1242      0.4800
N               -0.3488     -0.3870     -0.2887
N                0.5048      0.5497      0.1000
S                1.2720      1.3526     -1.4778
O                0.3545      2.1167     -2.2906
O                2.1318      0.4896     -2.2539
C                2.3049      2.4987     -0.6845
H                2.8726      3.1075     -1.4226
H                3.0410      1.9824     -0.0289
H                1.7120      3.1954     -0.0509
C               -1.0642     -1.1184      2.0108
C               -1.9669     -2.1453     -0.1862
H               -0.0365     -1.1169      2.3919
H               -1.5863     -2.0119      2.3717
H               -1.5863     -0.2221      2.3648
H               -1.3650     -2.9124     -0.6866
H               -2.5993     -1.6382     -0.9238
H               -2.5993     -2.6162      0.5751
18
M9
C               -1.0422     -1.1254      0.4902
N               -0.3429     -0.3801     -0.2650
N                0.5043      0.5501      0.1213
S                1.2768      1.3575     -1.4818
O                0.3551      2.1182     -2.2951
O                2.1338      0.4897     -2.2577
C                2.3112      2.5053     -0.6936
H                2.8774      3.1143     -1.4326
H                3.0485      1.9892     -0.0393
H                1.7187      3.2017     -0.0594
C               -1.9617     -2.1404     -0.1940
C               -1.0776     -1.1319      2.0208
H               -1.3550     -2.8973     -0.7042
H               -2.5942     -1.6251     -0.9259
H               -2.5942     -2.6255      0.5582
H               -0.0530     -1.1336      2.4099
H               -1.6026     -2.0283      2.3702
H               -1.6026     -0.2385      2.3779
18
M10
C               -1.0438     -1.1268      0.5007
N               -0.3372     -0.3732     -0.2400
N                0.5039      0.5509      0.1430
S                1.2817      1.3627     -1.4855
O                0.3559      2.1200     -2.2997
O                2.1358      0.4901     -2.2616
C                2.3178      2.5123     -0.7027
H                2.8826      3.1210     -1.4429
H                3.0563      1.9965     -0.0494
H                1.7257      3.2087     -0.0681
C               -1.9565     -2.1352     -0.2022
C               -1.0914     -1.1463      2.0308
H               -1.3447     -2.8812     -0.7222
H               -2.5891     -1.6114     -0.9280
H               -2.5891     -2.6349      0.5403
H               -0.0700     -1.1513      2.4281
H               -1.6192     -2.0455      2.3685
H               -1.6192     -0.2559      2.3912
18
M11
C               -1.0457     -1.1287      0.5116
N               -0.3315     -0.3663     -0.2135
N                0.5037      0.5517      0.1653
S                1.2865      1.3678     -1.4888
O                0.3571      2.1221     -2.3043
O                2.1381      0.4908     -2.2657
C                2.3247      2.5196     -0.7118
H                2.8880      3.1276     -1.4536
H                3.0643      2.0042     -0.0595
H                1.7332      3.2163     -0.0771
C               -1.1061     -1.1614      2.0410
C               -1.9508     -2.1299     -0.2111
H               -0.0880     -1.1701      2.4468
H               -1.6368     -2.0635      2.3664
H               -1.6368     -0.2742      2.4048
H               -1.3334     -2.8642     -0.7410
H               -2.5835     -1.5974     -0.9304
H               -2.5835     -2.6449      0.5209
18
M12
C               -1.0479     -1.1308      0.5228
N               -0.3256     -0.3591     -0.1852
N                0.5039      0.5530      0.1885
S                1.2914      1.3732     -1.4914
O                0.3585      2.1246     -2.3086
O                2.1406      0.4920     -2.2696
C                2.3322      2.5275     -0.7208
H                2.8937      3.1344     -1.4647
H                3.0730      2.0127     -0.0696
H                1.7414      3.2248     -0.0862
C               -1.9448     -2.1241     -0.2207
C               -1.1217     -1.1778      2.0513
H               -0.1072     -1.1905      2.4658
H               -1.6554     -2.0827      2.3637
H               -1.6554     -0.2937      2.4187
H               -1.3214     -2.8458     -0.7608
H               -2.5776     -1.5826     -0.9331
H               -2.5776     -2.6551      0.4997
18
M13
C               -1.0505     -1.1333      0.5346
N               -0.3196     -0.3517     -0.1543
N                0.5045      0.5548      0.2129
S                1.2963      1.3786     -1.4931
O                0.3601      2.1274     -2.3126
O                2.1432      0.4936     -2.2732
C                2.3400      2.5358     -0.7296
H                2.8996      3.1413     -1.4761
H                3.0823      2.0219     -0.0795
H                1.7501      3.2341     -0.0953
C               -1.1386     -1.1956      2.0618
C               -1.9383     -2.1177     -0.2314
H               -1.3083     -2.8256     -0.7821
H               -2.5711     -1.5666     -0.9364
H               -2.5711     -2.6657      0.4761
H               -0.1280     -1.2128      2.4856
H               -1.6754     -2.1033      2.3600
H               -1.6754     -0.3151      2.4329
18
M14
C               -1.0535     -1.1362      0.5470
N               -0.3130     -0.3439     -0.1201
N                0.5060      0.5573      0.2394
S                1.3015      1.3840     -1.4932
O                0.3619      2.1302     -2.3157
O                2.1461      0.4953     -2.2760
C                2.3487      2.5450     -0.7383
H                2.9055      3.1484     -1.4883
H                3.0930      2.0324     -0.0896
H                1.7601      3.2445     -0.1044
C               -1.9307     -2.1103     -0.2440
C               -1.1578     -1.2154      2.0724
H               -0.1517     -1.2380      2.5066
H               -1.6981     -2.1262      2.3548
H               -1.6981     -0.3388      2.4477
H               -1.2931     -2.8023     -0.8060
H               -2.5634     -1.5488     -0.9408
H               -2.5634     -2.6770      0.4485
18
M15
C               -1.0572     -1.1399      0.5600
N               -0.3060     -0.3358     -0.0814
N                0.5082      0.5603      0.2688
S                1.3069      1.3900     -1.4907
O                0.3637      2.1335     -2.3166
O                2.1491      0.4974     -2.2772
C                2.3588      2.5557     -0.7468
H                2.9121      3.1555     -1.5022
H                3.1056      2.0453     -0.0997
H                1.7722      3.2576     -0.1141
C               -1.9217     -2.1021     -0.2590
C               -1.1801     -1.2381      2.0829
H               -1.2752     -2.7760     -0.8326
H               -2.5544     -1.5295     -0.9467
H               -2.5544     -2.6895      0.4161
H               -0.1794     -1.2668      2.5291
H               -1.7244     -2.1518      2.3474
H               -1.7244     -0.3658      2.4625
18
M16
C               -1.0612     -1.1440      0.5741
N               -0.2983     -0.3266     -0.0373
N                0.5115      0.5649      0.3012
S                1.3123      1.3959     -1.4863
O                0.3654      2.1365     -2.3164
O                2.1520      0.4994     -2.2771
C                2.3696      2.5671     -0.7549
H                2.9190      3.1626     -1.5162
H                3.1191      2.0591     -0.1092
H                1.7852      3.2719     -0.1235
C               -1.9111     -2.0915     -0.2768
C               -1.2047     -1.2642      2.0936
H               -1.2544     -2.7443     -0.8631
H               -2.5437     -1.5062     -0.9540
H               -2.5437     -2.7021      0.3776
H               -0.2102     -1.3005      2.5527
H               -1.7534     -2.1811      2.3374
H               -1.7534     -0.3969      2.4784
18
M17
C               -1.0659     -1.1485      0.5894
N               -0.2901     -0.3163      0.0144
N                0.5159      0.5713      0.3376
S                1.3177      1.4021     -1.4790
O                0.3672      2.1399     -2.3147
O                2.1551      0.5013     -2.2750
C                2.3813      2.5799     -0.7626
H                2.9255      3.1705     -1.5312
H                3.1346      2.0747     -0.1195
H                1.8000      3.2878     -0.1323
C               -1.8973     -2.0784     -0.2982
C               -1.2342     -1.2946      2.1041
H               -0.2473     -1.3404      2.5787
H               -1.7879     -2.2148      2.3231
H               -1.7879     -0.4333      2.4949
H               -1.2281     -2.7062     -0.8975
H               -2.5296     -1.4794     -0.9636
H               -2.5296     -2.7153      0.3310
18
M18
C               -1.0717     -1.1543      0.6065
N               -0.2805     -0.3038      0.0801
N                0.5222      0.5806      0.3839
S                1.3238      1.4085     -1.4634
O                0.3687      2.1415     -2.3066
O                2.1576      0.5012     -2.2647
C                2.3963      2.5958     -0.7695
H                2.9304      3.1802     -1.5495
H                3.1569      2.0956     -0.1315
H                1.8201      3.3075     -0.1393
C               -1.8789     -2.0595     -0.3278
C               -1.2718     -1.3345      2.1137
H               -1.1934     -2.6546     -0.9420
H               -2.5105     -1.4432     -0.9778
H               -2.5105     -2.7287      0.2675
H               -0.2951     -1.3935      2.6074
H               -1.8318     -2.2580      2.3000
H               -1.8318     -0.4809      2.5125
18
M19
C               -1.0753     -1.1576      0.6170
N               -0.2739     -0.2952      0.1273
N                0.5276      0.5886      0.4166
S                1.3274      1.4119     -1.4482
O                0.3686      2.1406     -2.2963
O                2.1584      0.4993     -2.2524
C                2.4061      2.6062     -0.7719
H                2.9312      3.1866     -1.5606
H                3.1734      2.1101     -0.1390
H                1.8342      3.3202     -0.1405
C               -1.8632     -2.0446     -0.3507
C               -1.2999     -1.3628      2.1174
H               -0.3314     -1.4323      2.6257
H               -1.8646     -2.2881      2.2791
H               -1.8646     -0.5148      2.5217
H               -1.1653     -2.6156     -0.9736
H               -2.4942     -1.4169     -0.9903
H               -2.4942     -2.7362      0.2191
18
M20
C               -1.0790     -1.1609      0.6275
N               -0.2676     -0.2867      0.1744
N                0.5328      0.5964      0.4491
S                1.3308      1.4151     -1.4330
O                0.3682      2.1396     -2.2862
O                2.1589      0.4973     -2.2402
C                2.4157      2.6165     -0.7743
H                2.9318      3.1930     -1.5718
H                3.1897      2.1244     -0.1467
H                1.8482      3.3328     -0.1418
C               -1.8471     -2.0290     -0.3728
C               -1.3282     -1.3912      2.1204
H               -0.3682     -1.4718      2.6429
H               -1.8975     -2.3178      2.2571
H               -1.8975     -0.5489      2.5299
H               -1.1365     -2.5760     -1.0029
H               -2.4773     -1.3904     -1.0022
H               -2.4773     -2.7421      0.1709
18
M21
C               -1.0735     -1.1536      0.6337
N               -0.2630     -0.2790      0.2292
N                0.5386      0.6039      0.4815
S                1.3280      1.4099     -1.4097
O                0.3603      2.1274     -2.2634
O                2.1524      0.4861     -2.2143
C                2.4153      2.6160     -0.7674
H                2.9213      3.1900     -1.5714
H                3.1961      2.1280     -0.1466
H                1.8528      3.3336     -0.1325
C               -1.3558     -1.4185      2.1149
C               -1.8175     -1.9985     -0.4039
H               -1.0920     -2.5171     -1.0409
H               -2.4466     -1.3476     -1.0219
H               -2.4466     -2.7355      0.1082
H               -0.4076     -1.5153      2.6559
H               -1.9310     -2.3458      2.2170
H               -1.9310     -0.5840      2.5321
18
M22
C               -1.0682     -1.1466      0.6403
N               -0.2586     -0.2716      0.2842
N                0.5441      0.6112      0.5141
S                1.3249      1.4045     -1.3862
O                0.3522      2.1148     -2.2404
O                2.1456      0.4746     -2.1880
C                2.4148      2.6152     -0.7602
H                2.9106      3.1868     -1.5707
H                3.2024      2.1313     -0.1462
H                1.8571      3.3342     -0.1229
C               -1.7870     -1.9666     -0.4343
C               -1.3841     -1.4466      2.1080
H               -0.4484     -1.5608      2.6671
H               -1.9650     -2.3736      2.1746
H               -1.9650     -0.6201      2.5330
H               -1.0462     -2.4567     -1.0764
H               -2.4147     -1.3038     -1.0408
H               -2.4147     -2.7265      0.0450
18
M23
C               -1.0632     -1.1399      0.6472
N               -0.2545     -0.2644      0.3397
N                0.5494      0.6182      0.5472
S                1.3216      1.3988     -1.3622
O                0.3439      2.1021     -2.2169
O                2.1386      0.4629     -2.1614
C                2.4139      2.6141     -0.7526
H                2.8996      3.1833     -1.5696
H                3.2083      2.1344     -0.1455
H                1.8612      3.3345     -0.1129
C               -1.7554     -1.9338     -0.4639
C               -1.4128     -1.4751      2.0995
H               -0.9990     -2.3949     -1.1091
H               -2.3815     -1.2593     -1.0592
H               -2.3815     -2.7155     -0.0186
H               -0.4903     -1.6082      2.6761
H               -1.9993     -2.4005      2.1299
H               -1.9993     -0.6566      2.5324
18
M24
C               -1.0585     -1.1334      0.6545
N               -0.2507     -0.2575      0.3955
N                0.5543      0.6249      0.5806
S                1.3179      1.3928     -1.3379
O                0.3352      2.0890     -2.1932
O                2.1312      0.4508     -2.1344
C                2.4127      2.6128     -0.7447
H                2.8883      3.1796     -1.5683
H                3.2140      2.1372     -0.1444
H                1.8650      3.3346     -0.1026
C               -1.4421     -1.5042      2.0895
C               -1.7228     -1.8999     -0.4923
H               -0.5332     -1.6574      2.6826
H               -2.0338     -2.4267      2.0828
H               -2.0338     -0.6938      2.5305
H               -0.9504     -2.3320     -1.1388
H               -2.3468     -1.2142     -1.0768
H               -2.3468     -2.7022     -0.0823
18
M25
C               -1.0540     -1.1274      0.6620
N               -0.2471     -0.2511      0.4515
N                0.5591      0.6312      0.6142
S                1.3141      1.3863     -1.3133
O                0.3263      2.0755     -2.1691
O                2.1237      0.4383     -2.1072
C                2.4114      2.6110     -0.7365
H                2.8768      3.1753     -1.5666
H                3.2194      2.1396     -0.1430
H                1.8685      3.3341     -0.0920
C               -1.4716     -1.5336      2.0778
C               -1.6895     -1.8650     -0.5196
H               -0.9010     -2.2681     -1.1654
H               -2.3112     -1.1683     -1.0935
H               -2.3112     -2.6865     -0.1458
H               -0.5770     -1.7082      2.6865
H               -2.0683     -2.4518      2.0334
H               -2.0683     -0.7315      2.5270
18
M26
C               -1.0499     -1.1216      0.6697
N               -0.2439     -0.2449      0.5077
N                0.5634      0.6372      0.6480
S                1.3098      1.3797     -1.2887
O                0.3170      2.0617     -2.1450
O                2.1157      0.4256     -2.0798
C                2.4096      2.6090     -0.7282
H                2.8649      3.1709     -1.5648
H                3.2245      2.1417     -0.1415
H                1.8717      3.3335     -0.0813
C               -1.5013     -1.5633      2.0644
C               -1.6552     -1.8292     -0.5455
H               -0.8505     -2.2037     -1.1886
H               -2.2742     -1.1220     -1.1093
H               -2.2742     -2.6686     -0.2087
H               -0.6216     -1.7607      2.6876
H               -2.1027     -2.4758      1.9818
H               -2.1027     -0.7696      2.5222
18
M27
C               -1.0461     -1.1162      0.6776
N               -0.2410     -0.2391      0.5642
N                0.5675      0.6428      0.6821
S                1.3053      1.3726     -1.2637
O                0.3074      2.0476     -2.1205
O                2.1075      0.4125     -2.0522
C                2.4076      2.6066     -0.7196
H                2.8527      3.1660     -1.5627
H                3.2292      2.1434     -0.1397
H                1.8745      3.3324     -0.0703
C               -1.6204     -1.7926     -0.5701
C               -1.5311     -1.5932      2.0492
H               -0.7995     -2.1387     -1.2085
H               -2.2363     -1.0749     -1.1240
H               -2.2363     -2.6483     -0.2710
H               -0.6667     -1.8146      2.6856
H               -2.1369     -2.4985      1.9279
H               -2.1369     -0.8081      2.5159
18
M28
C               -1.0428     -1.1112      0.6856
N               -0.2386     -0.2336      0.6207
N                0.5711      0.6482      0.7162
S                1.3003      1.3652     -1.2386
O                0.2974      2.0331     -2.0959
O                2.0987      0.3991     -2.0245
C                2.4050      2.6038     -0.7109
H                2.8400      3.1608     -1.5605
H                3.2335      2.1448     -0.1379
H                1.8769      3.3310     -0.0592
C               -1.5609     -1.6230      2.0323
C               -1.5849     -1.7553     -0.5932
H               -0.7479     -2.0736     -1.2251
H               -2.1974     -1.0275     -1.1375
H               -2.1974     -2.6259     -0.3324
H               -0.7121     -1.8694      2.6805
H               -2.1707     -2.5195      1.8723
H               -2.1707     -0.8465      2.5081
18
M29
C               -1.0397     -1.1066      0.6937
N               -0.2364     -0.2286      0.6773
N                0.5744      0.6530      0.7504
S                1.2950      1.3573     -1.2135
O                0.2871      2.0182     -2.0714
O                2.0898      0.3852     -1.9967
C                2.4022      2.6006     -0.7022
H                2.8271      3.1552     -1.5583
H                3.2375      2.1457     -0.1360
H                1.8791      3.3292     -0.0481
C               -1.5905     -1.6528      2.0136
C               -1.5488     -1.7175     -0.6146
H               -0.7578     -1.9253      2.6721
H               -2.2040     -2.5389      1.8147
H               -2.2040     -0.8852      2.4991
H               -0.6958     -2.0086     -1.2381
H               -2.1576     -0.9797     -1.1497
H               -2.1576     -2.6014     -0.3925
18
M30
C               -1.0370     -1.1023      0.7018
N               -0.2347     -0.2238      0.7340
N                0.5774      0.6575      0.7847
S                1.2894      1.3492     -1.1884
O                0.2764      2.0029     -2.0467
O                2.0804      0.3709     -1.9689
C                2.3991      2.5971     -0.6933
H                2.8137      3.1492     -1.5561
H                3.2412      2.1463     -0.1340
H                1.8808      3.3270     -0.0369
C               -1.5126     -1.6791     -0.6343
C               -1.6197     -1.6823      1.9933
H               -0.6439     -1.9440     -1.2478
H               -2.1172     -0.9316     -1.1604
H               -2.1172     -2.5747     -0.4510
H               -0.8032     -1.9819      2.6602
H               -2.2365     -2.5565      1.7555
H               -2.2365     -0.9239      2.4887
18
M31
C               -1.0358     -1.1003      0.7058
N               -0.2339     -0.2216      0.7623
N                0.5787      0.6597      0.8018
S                1.2864      1.3450     -1.1758
O                0.2709      1.9952     -2.0344
O                2.0756      0.3637     -1.9550
C                2.3973      2.5952     -0.6890
H                2.8069      3.1461     -1.5550
H                3.2428      2.1465     -0.1331
H                1.8816      3.3258     -0.0313
C               -1.4943     -1.6599     -0.6435
C               -1.6342     -1.6969      1.9825
H               -0.6179     -1.9120     -1.2514
H               -2.0967     -0.9076     -1.1653
H               -2.0967     -2.5608     -0.4797
H               -0.8259     -2.0102      2.6531
H               -2.2526     -2.5645      1.7253
H               -2.2526     -0.9430      2.4830
