0 mol 9 unq 0 iso 0 dist 7.05346 8.50424 8.076 12.7944 6.81435 9.57198 7.32257 8.88528 7.35972 13.9252 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.05346 8.50424 8.076 12.7944 6.81435 9.57198 11.0167 14.0736 9.93542 18.4167 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.9944 6.02809 6.32226 14.4698 13.6861 9.57198 6.55811 4.58685 7.35972 13.9252 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.9944 6.02809 6.32226 14.4698 13.6861 9.57198 7.36018 5.83039 9.93542 18.4167 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.032 4.98827 6.32226 14.4218 13.6861 9.57198 8.64915 4.58685 7.35972 13.9252 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.032 4.98827 6.32226 14.4218 13.6861 9.57198 8.17347 5.83039 9.93542 18.4167 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.48847 6.42867 6.39966 6.00439 6.34272 5.82366 15.4288 13.9675 9.95212 11.4087 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 6.92532 4.97119 6.39966 7.82528 6.34272 5.82366 7.75618 13.9675 9.95212 11.4087 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.36455 6.01808 6.39966 10.2708 6.34272 5.82366 12.3215 13.9675 9.95212 11.4087 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 13.2086 14.3325 5.497 11.9684 5.66783 6.56527 11.553 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.04044 5.11416 6.48232 8.70133 11.2505 7.10439 12.1382 7.86177 8.87464 9.79695 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.73253 6.56633 6.48232 4.65521 11.2505 7.10439 10.2755 7.86177 8.87464 9.79695 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.27693 6.45686 9.75201 8.19682 5.77727 7.03226 9.38371 7.2505 8.95905 9.24521 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 8.00777 11.165 8.70863 14.6253 13.7907 6.05495 15.6553 8.31077 9.66222 13.3263 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.1589 9.29301 8.70863 13.9302 13.7907 6.05495 14.4725 8.31077 9.66222 13.3263 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.86674 9.66102 7.39179 11.0637 4.76302 6.95465 16.2594 13.0644 9.60622 8.71385 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 8.86674 9.66102 7.39179 11.0637 4.76302 6.95465 13.4631 9.98219 9.91054 5.54732 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 10.417 13.6622 6.0129 11.3043 8.02554 7.36769 10.2677 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 7.26086 7.06961 8.43352 10.417 13.6622 6.0129 6.65501 11.2092 6.88901 5.71029 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.34525 12.7083 9.35942 10.6048 8.36453 9.83981 14.1487 10.5177 8.42878 16.0864 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 6.34525 12.7083 9.35942 11.237 6.22315 6.13559 14.1487 10.5177 8.42878 11.1434 numMergedOcc 0
21 mol 114 unq 2 iso 0 dist 6.34525 12.7083 9.35942 10.3172 6.18257 6.51395 14.1487 10.5177 8.42878 4.41568 numMergedOcc 0
22 mol 114 unq 3 iso 0 dist 9.7918 7.12268 7.42482 11.9994 17.1979 9.83981 14.7674 8.66057 8.42878 16.0864 numMergedOcc 0
23 mol 114 unq 4 iso 0 dist 9.7918 7.12268 7.42482 11.3421 13.0539 6.13559 14.7674 8.66057 8.42878 11.1434 numMergedOcc 0
24 mol 114 unq 5 iso 0 dist 9.7918 7.12268 7.42482 13.3175 10.4498 6.51395 14.7674 8.66057 8.42878 4.41568 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 7.99623 7.45148 9.9151 10.5042 9.0892 7.26955 8.99399 4.99495 7.20249 4.48922 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 11.425 8.05714 8.55616 10.8985 14.2253 6.40575 10.6595 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 7.36779 7.1797 9.30061 13.0121 9.65798 8.73604 10.8985 14.2253 6.40575 14.1488 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.20836 4.57832 9.30061 11.2292 8.05714 8.55616 10.5252 14.2253 6.40575 10.6595 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 8.20836 4.57832 9.30061 8.79571 9.65798 8.73604 10.5252 14.2253 6.40575 14.1488 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 5.38091 5.81563 7.46845 7.36119 5.33988 6.05323 7.30357 12.4049 8.21184 11.9671 numMergedOcc 0
31 mol 156 unq 1 iso 0 dist 5.38091 5.81563 7.46845 7.36119 5.33988 6.05323 8.61587 11.7015 5.9976 8.69711 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 12.1599 7.69247 8.52969 12.4952 7.50057 6.38324 4.26755 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 12.1599 7.69247 8.52969 8.65535 5.92931 6.1886 11.8663 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 8.12346 12.0887 5.68348 13.8412 7.69247 8.52969 15.1649 7.50057 6.38324 4.26755 numMergedOcc 0
35 mol 194 unq 3 iso 0 dist 8.12346 12.0887 5.68348 13.8412 7.69247 8.52969 12.0009 5.92931 6.1886 11.8663 numMergedOcc 0
36 mol 194 unq 4 iso 0 dist 8.83356 7.11753 5.68348 5.48258 7.69247 8.52969 6.72379 7.50057 6.38324 4.26755 numMergedOcc 0
37 mol 194 unq 5 iso 0 dist 8.83356 7.11753 5.68348 5.48258 7.69247 8.52969 12.645 5.92931 6.1886 11.8663 numMergedOcc 0
38 mol 194 unq 6 iso 0 dist 8.2654 12.8755 5.68348 10.3975 7.69247 8.52969 13.2138 7.50057 6.38324 4.26755 numMergedOcc 0
39 mol 194 unq 7 iso 0 dist 8.2654 12.8755 5.68348 10.3975 7.69247 8.52969 13.9101 5.92931 6.1886 11.8663 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 7.83711 4.9377 6.57921 11.4727 7.0877 7.17337 13.7227 7.86594 9.78181 5.12599 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 7.83711 4.9377 6.57921 11.4727 7.0877 7.17337 9.05071 13.8622 9.8664 16.1253 numMergedOcc 0
