0 mol 44 unq 0 iso 0 dist 7.16036 9.32021 7.52117 9.5746 9.6782 5.1728 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 7.68916 9.24617 9.66501 9.04053 6.31696 12.6605 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 7.47417 5.10567 9.66501 11.8458 6.31696 12.6605 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 9.9997 5.23119 9.14931 8.24043 6.72639 9.35965 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 9.9997 5.23119 9.14931 11.819 9.34791 10.7772 numMergedOcc 0
5 mol 65 unq 2 iso 0 dist 9.38611 5.39637 8.37515 4.91428 6.76508 7.18126 numMergedOcc 0
6 mol 65 unq 3 iso 0 dist 9.38611 5.39637 8.37515 7.66509 8.22785 6.00418 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.09688 5.25231 9.00544 6.29383 7.38135 5.46256 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.09688 6.16378 7.12017 6.29383 7.38135 9.38256 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.26343 8.90536 9.00544 10.728 7.38135 5.46256 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 9.26343 5.69359 7.12017 10.728 7.38135 9.38256 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.87387 11.3694 6.34525 10.6075 6.84011 8.51024 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 8.66162 6.52773 6.96805 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.59784 12.9632 8.56342 6.71925 9.23858 13.3975 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.59784 4.31572 6.37542 8.66162 6.52773 4.86811 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 8.59784 4.31572 6.37542 6.71925 9.23858 8.00229 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 8.14071 10.9764 8.03372 9.81728 9.36851 6.84211 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 8.14071 10.9764 8.03372 6.95825 4.97175 4.53459 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.99089 5.50042 5.53031 10.0674 7.80532 8.98004 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 9.75558 5.74529 7.86572 9.62363 9.97343 5.38571 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 8.72463 4.88215 8.41611 16.1752 7.78652 15.0801 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 8.72463 4.88215 8.41611 17.1567 8.91301 15.0315 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 8.72463 8.25783 7.63338 16.1752 7.78652 11.5146 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 8.72463 8.25783 7.63338 17.1567 8.91301 13.434 numMergedOcc 0
24 mol 143 unq 4 iso 0 dist 8.72463 14.7431 9.03707 16.1752 7.78652 8.97873 numMergedOcc 0
25 mol 143 unq 5 iso 0 dist 8.72463 14.7431 9.03707 17.1567 8.91301 6.29542 numMergedOcc 0
26 mol 143 unq 6 iso 0 dist 8.72463 12.956 7.25673 16.1752 7.78652 6.60479 numMergedOcc 0
27 mol 143 unq 7 iso 0 dist 8.72463 12.956 7.25673 17.1567 8.91301 7.54337 numMergedOcc 0
28 mol 143 unq 8 iso 0 dist 6.7319 10.8204 9.91353 8.10288 6.6554 4.4079 numMergedOcc 0
29 mol 159 unq 0 iso 0 dist 7.78695 6.47213 7.25742 9.00075 9.17787 10.3427 numMergedOcc 0
30 mol 159 unq 1 iso 0 dist 7.78695 6.47213 7.25742 11.6088 8.4858 7.97232 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 15.4597 8.90963 13.0913 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 9.05666 6.93447 7.24199 5.76622 8.77999 3.86183 numMergedOcc 0
33 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 6.42799 6.34616 9.86517 numMergedOcc 0
34 mol 198 unq 1 iso 0 dist 9.4363 4.75457 8.10985 10.4394 6.34616 9.86517 numMergedOcc 0
35 mol 204 unq 0 iso 0 dist 7.92766 10.2224 6.85441 15.254 9.68728 5.42649 numMergedOcc 0
36 mol 206 unq 0 iso 0 dist 8.59262 5.90709 8.70977 14.201 7.75885 10.7023 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 7.69537 5.63106 8.37597 9.80934 9.51597 10.1672 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 10.0472 7.57812 4.77308 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 7.2527 9.87539 6.66971 10.0651 8.69104 10.2777 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 7.13194 9.87539 7.32982 10.0472 9.24557 4.77308 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 9.29203 10.4401 6.66971 13.6806 7.57812 4.77308 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 9.29203 10.4401 6.66971 16.2617 8.69104 10.2777 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 7.80166 10.4401 7.32982 13.6806 9.24557 4.77308 numMergedOcc 0
44 mol 258 unq 0 iso 0 dist 7.22378 4.56307 6.70815 4.39424 7.21311 8.10604 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 10.451 7.08526 6.31909 numMergedOcc 0
