0 mol 59 unq 0 iso 0 dist 8.17564 5.87788 9.43355 4.82623 7.92479 3.68327 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.17564 5.87788 9.43355 8.76577 7.86646 9.13939 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 8.17564 15.4376 7.9327 4.82623 7.92479 15.3578 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 8.17564 15.4376 7.9327 8.76577 7.86646 10.3023 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 7.19213 5.46359 9.43355 6.24283 7.92479 3.68327 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 7.19213 5.46359 9.43355 5.00893 7.86646 9.13939 numMergedOcc 0
6 mol 59 unq 6 iso 0 dist 7.19213 13.0982 7.9327 6.24283 7.92479 15.3578 numMergedOcc 0
7 mol 59 unq 7 iso 0 dist 7.19213 13.0982 7.9327 5.00893 7.86646 10.3023 numMergedOcc 0
8 mol 59 unq 8 iso 0 dist 6.94351 16.3671 9.43355 14.6444 7.92479 3.68327 numMergedOcc 0
9 mol 59 unq 9 iso 0 dist 6.94351 16.3671 9.43355 12.5693 7.86646 9.13939 numMergedOcc 0
10 mol 59 unq 10 iso 0 dist 6.94351 5.83238 7.9327 14.6444 7.92479 15.3578 numMergedOcc 0
11 mol 59 unq 11 iso 0 dist 6.94351 5.83238 7.9327 12.5693 7.86646 10.3023 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.07582 4.91535 5.9249 7.80434 5.82384 4.31939 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 9.30724 11.109 9.56752 9.79765 6.18681 5.57394 numMergedOcc 0
14 mol 90 unq 1 iso 0 dist 9.30724 11.109 9.56752 8.32366 9.33288 3.54647 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 7.57958 11.6798 7.1539 14.5838 7.03417 9.04084 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 7.57958 12.656 5.39745 14.5838 7.03417 3.87825 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 5.44714 9.69428 7.33541 8.67805 5.45882 11.746 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 5.44714 9.69428 7.33541 6.03962 4.57487 9.9322 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 7.25217 5.21101 6.13559 5.21212 8.61909 3.67473 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.01132 7.94741 9.62236 11.7596 7.92317 9.58331 numMergedOcc 0
21 mol 130 unq 1 iso 0 dist 6.01132 11.7935 6.90634 11.7596 7.92317 3.90693 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.41368 12.0718 7.13252 3.55808 7.61421 13.4378 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.96182 13.7282 7.13252 6.33098 7.61421 13.4378 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 7.90237 10.6331 7.13252 8.9845 7.61421 13.4378 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 6.17129 6.78739 7.05653 3.59953 6.91878 3.63671 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 5.83596 11.3693 7.05653 9.61614 6.91878 3.63671 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 9.86352 4.32206 9.55606 5.97362 7.76863 9.16458 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 9.42374 8.11161 7.10526 5.8523 4.51124 3.85186 numMergedOcc 0
29 mol 204 unq 2 iso 0 dist 9.42374 8.11161 7.10526 10.6525 8.41517 9.61866 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.79085 9.77057 7.10413 13.7353 8.49913 9.85068 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 6.48753 9.30551 7.10413 10.1969 8.49913 9.85068 numMergedOcc 0
32 mol 232 unq 2 iso 0 dist 7.83802 10.6834 7.10413 6.46773 8.49913 9.85068 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 7.19662 10.383 9.25517 9.98235 7.35086 3.64991 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 8.19915 3.93066 7.95766 3.76405 9.11149 6.82702 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 5.18952 10.2859 8.08764 9.98527 5.50017 7.18773 numMergedOcc 0
36 mol 239 unq 1 iso 0 dist 5.648 10.2859 9.01462 9.98527 9.99181 7.18773 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.53092 11.7116 8.71497 4.21541 9.28024 9.75001 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 6.21206 5.29885 7.34094 11.7067 8.56867 13.0664 numMergedOcc 0
39 mol 264 unq 1 iso 0 dist 6.21206 5.29885 7.34094 8.75534 6.29872 10.4666 numMergedOcc 0
40 mol 278 unq 0 iso 0 dist 8.56029 8.73566 7.48235 7.67795 9.94661 14.4818 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 7.12793 4.57255 8.87606 4.93923 9.33755 8.56972 numMergedOcc 0
42 mol 294 unq 1 iso 0 dist 7.12793 4.57255 8.87606 10.0659 6.25334 9.32087 numMergedOcc 0
43 mol 294 unq 2 iso 0 dist 6.21208 4.44552 8.87606 10.6017 9.33755 8.56972 numMergedOcc 0
44 mol 294 unq 3 iso 0 dist 6.21208 4.44552 8.87606 7.2873 6.25334 9.32087 numMergedOcc 0
