0 mol 1 unq 0 iso 0 dist 9.44115 6.44928 8.56884 5.21705 5.96833 4.50502 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.90928 6.35409 8.56884 5.06184 5.96833 4.50502 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 9.99243 9.81658 5.84314 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 12.0088 9.81658 5.84314 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.62693 10.2609 8.82012 5.23054 5.84066 5.56139 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.62693 4.09495 9.16962 5.23054 5.84066 8.25132 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.97117 5.3315 6.73162 12.2008 9.96121 7.11305 numMergedOcc 0
7 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 5.78495 7.11053 10.7345 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.17564 10.6918 6.23899 10.8351 8.67634 4.53828 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 7.19213 7.5168 6.23899 8.08163 8.67634 4.53828 numMergedOcc 0
10 mol 59 unq 2 iso 0 dist 6.94351 9.2891 6.23899 10.8454 8.67634 4.53828 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.15288 6.38702 8.30646 7.72904 5.47706 4.77202 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.15288 6.38702 8.30646 13.6432 8.89842 8.12982 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 9.15288 6.38702 8.30646 9.64221 8.07568 11.8801 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.4909 8.66126 8.30646 11.0011 5.47706 4.77202 numMergedOcc 0
15 mol 78 unq 4 iso 0 dist 9.4909 8.66126 8.30646 10.0477 8.89842 8.12982 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 9.4909 8.66126 8.30646 16.0481 8.07568 11.8801 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 6.64631 3.96825 8.67367 8.97717 9.51318 10.2625 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 6.64631 3.96825 8.67367 10.5689 9.84457 10.2496 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 5.44714 5.19652 6.81812 3.97791 5.29949 8.50705 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 8.29196 7.65255 6.95773 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 5.61881 9.94053 7.20875 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 9.58171 5.27151 7.63616 5.61881 9.94053 3.77029 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 5.99531 6.55202 6.30721 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 11.2265 9.08536 14.443 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 8.95838 5.85391 9.63176 5.99531 6.55202 6.9194 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 8.95838 5.85391 9.63176 11.2265 9.08536 9.68677 numMergedOcc 0
27 mol 119 unq 4 iso 0 dist 8.95838 11.0075 7.44174 5.99531 6.55202 12.4621 numMergedOcc 0
28 mol 119 unq 5 iso 0 dist 8.95838 11.0075 7.44174 11.2265 9.08536 6.20019 numMergedOcc 0
29 mol 119 unq 6 iso 0 dist 9.47892 9.58951 7.39889 13.9667 6.55202 6.30721 numMergedOcc 0
30 mol 119 unq 7 iso 0 dist 9.47892 9.58951 7.39889 15.453 9.08536 14.443 numMergedOcc 0
31 mol 119 unq 8 iso 0 dist 9.47892 18.2257 9.63176 13.9667 6.55202 6.9194 numMergedOcc 0
32 mol 119 unq 9 iso 0 dist 9.47892 18.2257 9.63176 15.453 9.08536 9.68677 numMergedOcc 0
33 mol 119 unq 10 iso 0 dist 9.47892 9.93013 7.44174 13.9667 6.55202 12.4621 numMergedOcc 0
34 mol 119 unq 11 iso 0 dist 9.47892 9.93013 7.44174 15.453 9.08536 6.20019 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 5.36037 7.05845 7.63293 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 5.36037 7.05845 11.903 numMergedOcc 0
37 mol 143 unq 2 iso 0 dist 9.9492 9.79072 7.31468 15.3503 7.05845 7.63293 numMergedOcc 0
38 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 15.3503 7.05845 11.903 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 7.50392 4.94973 9.38946 5.68679 7.29911 4.91785 numMergedOcc 0
40 mol 155 unq 1 iso 0 dist 8.02593 5.01007 7.39644 5.05961 5.36254 7.10286 numMergedOcc 0
41 mol 155 unq 2 iso 0 dist 8.02593 9.80448 7.36102 5.05961 5.36254 4.91785 numMergedOcc 0
42 mol 155 unq 3 iso 0 dist 8.77391 12.7814 7.39644 5.68679 5.36254 7.10286 numMergedOcc 0
43 mol 155 unq 4 iso 0 dist 8.77391 4.94973 7.36102 5.68679 5.36254 4.91785 numMergedOcc 0
44 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 15.8873 8.62366 12.4131 numMergedOcc 0
45 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 14.9274 9.44973 8.85462 numMergedOcc 0
46 mol 173 unq 2 iso 0 dist 9.56248 8.11337 7.93331 9.35913 6.52508 6.91529 numMergedOcc 0
47 mol 173 unq 3 iso 0 dist 9.56248 10.8336 6.98095 15.8873 8.62366 12.5815 numMergedOcc 0
48 mol 173 unq 4 iso 0 dist 9.56248 10.8336 6.98095 14.9274 9.44973 9.65654 numMergedOcc 0
49 mol 173 unq 5 iso 0 dist 9.56248 10.8336 6.98095 9.35913 6.52508 9.44845 numMergedOcc 0
50 mol 173 unq 6 iso 0 dist 9.56248 10.6484 8.31897 15.8873 8.62366 8.63452 numMergedOcc 0
51 mol 173 unq 7 iso 0 dist 9.56248 10.6484 8.31897 14.9274 9.44973 4.83786 numMergedOcc 0
52 mol 173 unq 8 iso 0 dist 9.56248 10.6484 8.31897 9.35913 6.52508 3.74688 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 6.17129 4.3158 4.93785 7.19461 9.09234 6.8757 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 6.17129 4.3158 4.93785 9.77747 6.76746 5.71898 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 6.17129 4.3158 4.93785 10.0615 8.92098 5.83796 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 5.83596 4.3226 4.93785 11.195 9.09234 6.8757 numMergedOcc 0
57 mol 181 unq 4 iso 0 dist 5.83596 4.3226 4.93785 4.76079 6.76746 5.71898 numMergedOcc 0
58 mol 181 unq 5 iso 0 dist 5.83596 4.3226 4.93785 6.38851 8.92098 5.83796 numMergedOcc 0
59 mol 194 unq 0 iso 0 dist 6.289 7.72655 5.48258 5.18485 7.10155 4.66791 numMergedOcc 0
60 mol 194 unq 1 iso 0 dist 6.289 7.72655 5.48258 3.86206 6.11135 5.97754 numMergedOcc 0
61 mol 195 unq 0 iso 0 dist 7.63511 8.97729 8.36117 3.7157 5.87439 6.04871 numMergedOcc 0
62 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 15.7632 9.27218 17.0276 numMergedOcc 0
63 mol 197 unq 1 iso 0 dist 6.74777 5.29309 8.99696 15.6628 9.27218 17.0276 numMergedOcc 0
64 mol 197 unq 2 iso 0 dist 9.62514 4.57437 8.99696 18.7224 9.27218 17.0276 numMergedOcc 0
65 mol 218 unq 0 iso 0 dist 7.90156 11.7195 7.17547 11.2254 8.61306 15.6802 numMergedOcc 0
66 mol 218 unq 1 iso 0 dist 7.90156 4.67327 7.13323 11.2254 8.61306 13.7327 numMergedOcc 0
67 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 12.9828 9.8009 14.6485 numMergedOcc 0
68 mol 233 unq 0 iso 0 dist 7.83363 12.3957 9.43203 4.98419 8.24424 8.59528 numMergedOcc 0
69 mol 233 unq 1 iso 0 dist 7.83363 12.3957 9.43203 7.08719 7.0942 5.43315 numMergedOcc 0
70 mol 233 unq 2 iso 0 dist 7.83363 12.3957 9.43203 10.7478 6.01775 6.8325 numMergedOcc 0
71 mol 238 unq 0 iso 0 dist 9.94175 13.8985 5.38637 10.2069 9.38131 13.378 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 9.94175 14.9782 6.55759 10.2069 9.38131 10.4966 numMergedOcc 0
73 mol 238 unq 2 iso 0 dist 8.81534 5.33567 5.38637 16.1646 9.38131 13.378 numMergedOcc 0
74 mol 238 unq 3 iso 0 dist 8.81534 9.85437 6.55759 16.1646 9.38131 10.4966 numMergedOcc 0
75 mol 238 unq 4 iso 0 dist 9.46582 9.23693 7.67322 5.17342 7.39547 5.71717 numMergedOcc 0
76 mol 238 unq 5 iso 0 dist 6.24435 6.76977 6.05141 11.7967 8.69525 5.27215 numMergedOcc 0
77 mol 238 unq 6 iso 0 dist 6.24435 10.4548 8.09066 11.7967 8.69525 6.13368 numMergedOcc 0
78 mol 238 unq 7 iso 0 dist 6.24435 10.7712 7.2766 11.7967 8.69525 10.0605 numMergedOcc 0
79 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 9.92544 8.84648 10.282 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.9171 6.23661 10.067 numMergedOcc 0
81 mol 259 unq 2 iso 0 dist 9.53092 12.7699 8.37865 9.92544 8.84648 4.04513 numMergedOcc 0
82 mol 259 unq 3 iso 0 dist 9.53092 12.7699 8.37865 12.9171 6.23661 7.09907 numMergedOcc 0
83 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 10.9015 7.52924 4.57104 numMergedOcc 0
84 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 10.9015 7.52924 5.29852 numMergedOcc 0
85 mol 282 unq 2 iso 0 dist 9.20119 6.32603 8.3411 10.9015 7.52924 5.80572 numMergedOcc 0
86 mol 282 unq 3 iso 0 dist 8.96997 4.64783 6.85028 7.77671 7.52924 4.57104 numMergedOcc 0
87 mol 282 unq 4 iso 0 dist 8.96997 10.0286 7.32347 7.77671 7.52924 5.29852 numMergedOcc 0
88 mol 282 unq 5 iso 0 dist 8.96997 7.65702 8.3411 7.77671 7.52924 5.80572 numMergedOcc 0
