0 mol 1 unq 0 iso 0 dist 9.44115 6.44928 8.56884 5.21705 5.96833 4.50502 11.3766 5.11735 10.488 6.86701 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.90928 6.35409 8.56884 5.06184 5.96833 4.50502 6.4181 5.11735 10.488 6.86701 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 9.99243 9.81658 5.84314 12.8762 11.4878 8.57077 5.8245 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 12.0088 9.81658 5.84314 13.0231 11.4878 8.57077 5.8245 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.97117 5.3315 6.73162 12.2008 9.96121 7.11305 14.8022 6.10146 10.2542 9.12845 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.15288 6.38702 8.30646 7.72904 5.47706 4.77202 11.7809 4.92509 11.3054 6.85523 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.15288 6.38702 8.30646 7.72904 5.47706 4.77202 13.9595 5.22036 11.2771 8.65848 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 9.15288 6.38702 8.30646 13.6432 8.89842 8.12982 13.9595 5.22036 11.2771 7.25801 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 9.15288 6.38702 8.30646 9.64221 8.07568 11.8801 11.7809 4.92509 11.3054 5.77326 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 9.4909 8.66126 8.30646 11.0011 5.47706 4.77202 14.3902 4.92509 11.3054 6.85523 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 9.4909 8.66126 8.30646 11.0011 5.47706 4.77202 11.0261 5.22036 11.2771 8.65848 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 9.4909 8.66126 8.30646 10.0477 8.89842 8.12982 11.0261 5.22036 11.2771 7.25801 numMergedOcc 0
12 mol 78 unq 7 iso 0 dist 9.4909 8.66126 8.30646 16.0481 8.07568 11.8801 14.3902 4.92509 11.3054 5.77326 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 8.29196 7.65255 6.95773 12.5192 10.2377 9.33865 6.24825 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 5.61881 9.94053 7.20875 6.90827 4.91401 7.90328 8.84018 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 9.58171 5.27151 7.63616 5.61881 9.94053 3.77029 6.90827 4.91401 7.83136 8.84018 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 11.2265 9.08536 14.443 19.6702 16.7975 23.1442 8.95212 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 11.2265 9.08536 14.443 13.2232 7.36192 14.5183 6.99446 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 8.95838 7.38295 7.39889 11.2265 9.08536 14.443 13.3689 10.6679 16.7981 7.64052 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 8.95838 5.85391 9.63176 11.2265 9.08536 9.68677 19.6702 16.7975 16.4353 8.95212 numMergedOcc 0
20 mol 119 unq 4 iso 0 dist 8.95838 5.85391 9.63176 11.2265 9.08536 9.68677 13.2232 7.36192 10.3704 6.99446 numMergedOcc 0
21 mol 119 unq 5 iso 0 dist 8.95838 5.85391 9.63176 11.2265 9.08536 9.68677 13.3689 10.6679 8.73993 7.64052 numMergedOcc 0
22 mol 119 unq 6 iso 0 dist 8.95838 11.0075 7.44174 11.2265 9.08536 6.20019 19.6702 16.7975 13.9919 8.95212 numMergedOcc 0
23 mol 119 unq 7 iso 0 dist 8.95838 11.0075 7.44174 11.2265 9.08536 6.20019 13.2232 7.36192 9.87172 6.99446 numMergedOcc 0
24 mol 119 unq 8 iso 0 dist 8.95838 11.0075 7.44174 11.2265 9.08536 6.20019 13.3689 10.6679 12.6489 7.64052 numMergedOcc 0
25 mol 119 unq 9 iso 0 dist 9.47892 9.58951 7.39889 15.453 9.08536 14.443 22.8005 16.7975 23.1442 8.95212 numMergedOcc 0
26 mol 119 unq 10 iso 0 dist 9.47892 9.58951 7.39889 15.453 9.08536 14.443 15.3808 7.36192 14.5183 6.99446 numMergedOcc 0
27 mol 119 unq 11 iso 0 dist 9.47892 9.58951 7.39889 15.453 9.08536 14.443 19.5006 10.6679 16.7981 7.64052 numMergedOcc 0
28 mol 119 unq 12 iso 0 dist 9.47892 18.2257 9.63176 15.453 9.08536 9.68677 22.8005 16.7975 16.4353 8.95212 numMergedOcc 0
29 mol 119 unq 13 iso 0 dist 9.47892 18.2257 9.63176 15.453 9.08536 9.68677 15.3808 7.36192 10.3704 6.99446 numMergedOcc 0
30 mol 119 unq 14 iso 0 dist 9.47892 18.2257 9.63176 15.453 9.08536 9.68677 19.5006 10.6679 8.73993 7.64052 numMergedOcc 0
31 mol 119 unq 15 iso 0 dist 9.47892 9.93013 7.44174 15.453 9.08536 6.20019 22.8005 16.7975 13.9919 8.95212 numMergedOcc 0
32 mol 119 unq 16 iso 0 dist 9.47892 9.93013 7.44174 15.453 9.08536 6.20019 15.3808 7.36192 9.87172 6.99446 numMergedOcc 0
33 mol 119 unq 17 iso 0 dist 9.47892 9.93013 7.44174 15.453 9.08536 6.20019 19.5006 10.6679 12.6489 7.64052 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 5.36037 7.05845 7.63293 11.9443 6.01455 10.6877 7.36975 numMergedOcc 0
35 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 5.36037 7.05845 11.903 11.9443 6.01455 12.7524 7.36975 numMergedOcc 0
36 mol 143 unq 2 iso 0 dist 9.9492 9.79072 7.31468 15.3503 7.05845 7.63293 13.375 6.01455 10.6877 7.36975 numMergedOcc 0
37 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 15.3503 7.05845 11.903 13.375 6.01455 12.7524 7.36975 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 7.50392 4.94973 9.38946 5.68679 7.29911 4.91785 11.1867 12.8482 6.43582 8.97626 numMergedOcc 0
39 mol 155 unq 1 iso 0 dist 8.02593 5.01007 7.39644 5.05961 5.36254 7.10286 12.6683 8.27726 10.7829 8.97626 numMergedOcc 0
40 mol 155 unq 2 iso 0 dist 8.02593 9.80448 7.36102 5.05961 5.36254 4.91785 12.6683 8.27726 6.43582 8.97626 numMergedOcc 0
41 mol 155 unq 3 iso 0 dist 8.77391 12.7814 7.39644 5.68679 5.36254 7.10286 11.1867 8.27726 10.7829 8.97626 numMergedOcc 0
42 mol 155 unq 4 iso 0 dist 8.77391 4.94973 7.36102 5.68679 5.36254 4.91785 11.1867 8.27726 6.43582 8.97626 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 6.17129 4.3158 4.93785 7.19461 9.09234 6.8757 9.84952 6.7991 7.81386 6.64173 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 6.17129 4.3158 4.93785 9.77747 6.76746 5.71898 9.84952 6.7991 7.81386 9.01624 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 6.17129 4.3158 4.93785 9.77747 6.76746 5.71898 13.0935 8.35755 9.81747 5.05973 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 6.17129 4.3158 4.93785 10.0615 8.92098 5.83796 9.84952 6.7991 7.81386 9.55105 numMergedOcc 0
47 mol 181 unq 4 iso 0 dist 5.83596 4.3226 4.93785 11.195 9.09234 6.8757 10.8641 6.7991 7.81386 6.64173 numMergedOcc 0
48 mol 181 unq 5 iso 0 dist 5.83596 4.3226 4.93785 4.76079 6.76746 5.71898 10.8641 6.7991 7.81386 9.01624 numMergedOcc 0
49 mol 181 unq 6 iso 0 dist 5.83596 4.3226 4.93785 4.76079 6.76746 5.71898 7.41378 8.35755 9.81747 5.05973 numMergedOcc 0
50 mol 181 unq 7 iso 0 dist 5.83596 4.3226 4.93785 6.38851 8.92098 5.83796 10.8641 6.7991 7.81386 9.55105 numMergedOcc 0
51 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 15.7632 9.27218 17.0276 13.2177 5.2908 11.6759 9.10817 numMergedOcc 0
52 mol 197 unq 1 iso 0 dist 8.32685 10.5326 8.99696 15.7632 9.27218 17.0276 14.164 6.23998 11.3819 6.86828 numMergedOcc 0
53 mol 197 unq 2 iso 0 dist 6.74777 5.29309 8.99696 15.6628 9.27218 17.0276 10.9337 5.2908 11.6759 9.10817 numMergedOcc 0
54 mol 197 unq 3 iso 0 dist 6.74777 5.29309 8.99696 15.6628 9.27218 17.0276 11.7581 6.23998 11.3819 6.86828 numMergedOcc 0
55 mol 197 unq 4 iso 0 dist 9.62514 4.57437 8.99696 18.7224 9.27218 17.0276 12.045 5.2908 11.6759 9.10817 numMergedOcc 0
56 mol 197 unq 5 iso 0 dist 9.62514 4.57437 8.99696 18.7224 9.27218 17.0276 13.6474 6.23998 11.3819 6.86828 numMergedOcc 0
57 mol 233 unq 0 iso 0 dist 7.83363 12.3957 9.43203 10.7478 6.01775 6.8325 14.1896 8.96098 15.159 8.51625 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 9.92544 8.84648 10.282 12.9189 5.31048 12.0576 8.03219 numMergedOcc 0
59 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.9171 6.23661 10.067 11.6963 5.79468 7.46176 5.85442 numMergedOcc 0
60 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 12.9171 6.23661 10.067 12.9189 5.31048 12.0576 6.9899 numMergedOcc 0
61 mol 259 unq 3 iso 0 dist 9.53092 12.7699 8.37865 9.92544 8.84648 4.04513 12.9189 5.31048 5.30224 8.03219 numMergedOcc 0
62 mol 259 unq 4 iso 0 dist 9.53092 12.7699 8.37865 12.9171 6.23661 7.09907 11.6963 5.79468 11.858 5.85442 numMergedOcc 0
63 mol 259 unq 5 iso 0 dist 9.53092 12.7699 8.37865 12.9171 6.23661 7.09907 12.9189 5.31048 5.30224 6.9899 numMergedOcc 0
