0 mol 10 unq 0 iso 0 dist 6.47424 5.64721 7.30932 10.9136 6.62276 7.5169 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.59744 12.6064 7.30932 12.6452 6.62276 7.5169 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 7.04267 8.79638 14.6111 9.64948 8.48456 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.56722 5.48811 6.42785 12.471 10.1805 7.24073 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.56722 9.52052 5.75809 16.4349 8.89273 8.24422 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 9.56722 9.52052 5.75809 17.0823 8.10455 8.99724 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 6.32052 10.2809 8.5893 11.2445 6.15909 6.84257 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 6.32052 10.2809 8.5893 14.2695 12.5114 9.21102 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.72036 6.66552 7.80117 8.54999 3.83842 7.67459 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.72036 14.2962 9.79386 18.7371 10.7481 7.62469 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 9.07283 11.6226 7.32699 13.0498 5.81633 8.87951 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 6.77993 5.22926 8.96446 9.69413 6.65219 7.94379 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 8.6548 9.20656 7.68964 14.0002 9.28941 9.06717 numMergedOcc 0
13 mol 96 unq 1 iso 0 dist 8.6548 9.20656 7.68964 16.7386 9.9118 9.579 numMergedOcc 0
14 mol 96 unq 2 iso 0 dist 6.02608 7.54186 7.68964 13.6891 9.28941 9.06717 numMergedOcc 0
15 mol 96 unq 3 iso 0 dist 6.02608 7.54186 7.68964 12.5792 9.9118 9.579 numMergedOcc 0
16 mol 124 unq 0 iso 0 dist 8.06631 5.20968 9.66083 8.45451 5.3096 8.03603 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.14978 7.47861 4.93944 13.7623 6.1672 8.5614 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.78251 14.813 7.62945 12.5248 5.28021 7.6409 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 8.7499 5.21669 9.48261 10.8442 5.16471 8.81929 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.45508 4.30527 7.14918 9.19442 11.6389 8.92121 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 5.79883 4.30527 9.29322 9.19442 10.1445 8.92121 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 7.39884 6.58738 7.6142 10.1847 13.8942 8.1195 numMergedOcc 0
23 mol 254 unq 0 iso 0 dist 7.94753 13.0274 9.47133 12.5744 5.9731 5.73448 numMergedOcc 0
24 mol 254 unq 1 iso 0 dist 7.94753 13.0274 9.47133 18.6882 11.7647 9.54526 numMergedOcc 0
25 mol 254 unq 2 iso 0 dist 9.99046 13.0274 7.61537 12.5744 3.69576 5.73448 numMergedOcc 0
26 mol 254 unq 3 iso 0 dist 9.99046 13.0274 7.61537 18.6882 9.17109 9.54526 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 6.32853 8.60551 7.70811 12.1907 6.93195 7.79173 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 9.34464 5.39628 9.49871 8.19366 4.93084 6.47753 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 9.82274 10.9203 9.33601 14.8069 9.76279 6.53354 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 9.82274 10.9203 9.33601 14.3658 7.97597 6.93798 numMergedOcc 0
31 mol 283 unq 2 iso 0 dist 7.17276 5.72409 9.33601 10.6835 9.76279 6.53354 numMergedOcc 0
32 mol 283 unq 3 iso 0 dist 7.17276 5.72409 9.33601 8.57375 7.97597 6.93798 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 9.03468 13.1162 9.2144 14.7093 9.21351 7.58907 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 6.05363 13.3584 9.2144 14.1776 9.21351 7.58907 numMergedOcc 0
35 mol 287 unq 2 iso 0 dist 9.14217 5.11604 7.29668 10.457 5.13698 9.24592 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 9.03468 13.1162 9.2144 14.7093 9.21351 7.58907 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 6.05363 13.3584 9.2144 14.1776 9.21351 7.58907 numMergedOcc 0
38 mol 288 unq 2 iso 0 dist 9.14217 5.11604 7.29668 10.457 5.13698 9.24592 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 9.03468 13.1162 9.2144 14.7093 9.21351 7.58907 numMergedOcc 0
40 mol 289 unq 1 iso 0 dist 6.05363 13.3584 9.2144 14.1776 9.21351 7.58907 numMergedOcc 0
41 mol 289 unq 2 iso 0 dist 9.14217 5.11604 7.29668 10.457 5.13698 9.24592 numMergedOcc 0
