0 mol 10 unq 0 iso 0 dist 8.97985 6.47424 8.31255 11.9429 16.1377 8.44792 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.77987 7.63824 7.63404 10.9159 13.1787 7.79911 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.40189 6.5268 5.75365 7.14863 9.49646 8.6586 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.22014 6.5268 3.67206 7.14863 6.36381 8.6586 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 9.07954 6.64146 5.70395 4.03892 11.7735 8.49879 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.25047 8.63792 3.35924 4.35001 6.63973 6.46582 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.61144 8.65162 8.74506 12.0992 14.672 8.14427 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 6.13521 8.65162 3.70642 12.0992 9.43496 8.14427 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 5.93561 5.81859 9.79375 8.86634 13.1156 6.3323 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 5.33967 5.81859 3.54756 8.86634 6.67635 6.3323 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 5.20001 5.94465 9.7683 8.64874 12.4075 6.01857 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 8.4375 8.42277 12.5711 8.62597 16.5514 7.93106 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 8.4375 8.42277 12.5711 4.04119 8.23699 7.04904 numMergedOcc 0
13 mol 129 unq 2 iso 0 dist 8.4375 6.26653 9.49478 8.62597 16.5514 9.05575 numMergedOcc 0
14 mol 129 unq 3 iso 0 dist 8.4375 6.26653 9.49478 4.04119 8.23699 5.06053 numMergedOcc 0
15 mol 129 unq 4 iso 0 dist 8.62413 8.42277 12.7725 8.62597 15.838 7.93106 numMergedOcc 0
16 mol 129 unq 5 iso 0 dist 8.62413 8.42277 12.7725 4.04119 6.53559 7.04904 numMergedOcc 0
17 mol 129 unq 6 iso 0 dist 8.62413 6.26653 10.2785 8.62597 15.838 9.05575 numMergedOcc 0
18 mol 129 unq 7 iso 0 dist 8.62413 6.26653 10.2785 4.04119 6.53559 5.06053 numMergedOcc 0
19 mol 129 unq 8 iso 0 dist 6.93102 8.42277 9.39617 8.62597 13.5733 7.93106 numMergedOcc 0
20 mol 129 unq 9 iso 0 dist 6.93102 8.42277 9.39617 4.04119 7.90844 7.04904 numMergedOcc 0
21 mol 129 unq 10 iso 0 dist 6.93102 6.26653 6.48525 8.62597 13.5733 9.05575 numMergedOcc 0
22 mol 129 unq 11 iso 0 dist 6.93102 6.26653 6.48525 4.04119 7.90844 5.06053 numMergedOcc 0
23 mol 147 unq 0 iso 0 dist 8.73613 8.94352 8.67676 10.7499 9.80852 8.76449 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.28282 6.91764 3.11607 3.8834 6.52441 4.37577 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 8.73525 9.38235 10.833 3.95188 11.7419 8.49554 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 8.73525 9.38235 10.833 4.92057 10.0718 8.29256 numMergedOcc 0
27 mol 204 unq 2 iso 0 dist 8.73525 8.95509 4.66758 4.92057 10.0718 7.8274 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 6.58055 7.45508 3.13463 9.19611 10.6353 8.53092 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 7.1699 9.11501 9.98348 12.3297 16.5477 7.88108 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.106 7.17276 3.12129 5.70683 8.4275 8.85163 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.51385 6.05363 7.98095 11.8278 13.871 8.71974 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 7.51385 6.05363 7.98095 4.22529 11.7011 8.82649 numMergedOcc 0
33 mol 287 unq 2 iso 0 dist 7.51385 6.05363 7.98095 8.19487 12.2929 7.35776 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.51385 6.05363 7.98095 11.8278 13.871 8.71974 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 7.51385 6.05363 7.98095 4.22529 11.7011 8.82649 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 7.51385 6.05363 7.98095 8.19487 12.2929 7.35776 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 7.51385 6.05363 7.98095 11.8278 13.871 8.71974 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.51385 6.05363 7.98095 4.22529 11.7011 8.82649 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 7.51385 6.05363 7.98095 8.19487 12.2929 7.35776 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 8.26112 8.81999 8.14029 8.9836 14.5833 9.64969 numMergedOcc 0
41 mol 294 unq 1 iso 0 dist 8.26112 5.18334 7.97558 11.4279 14.9757 7.48987 numMergedOcc 0
