0 mol 28 unq 0 iso 0 dist 9.56722 7.04267 8.79638 14.9575 9.2146 14.8033 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.56722 5.48811 6.42785 14.9575 9.2146 14.2352 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.56722 9.52052 5.75809 14.9575 9.2146 6.51818 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 5.78231 6.39966 6.89423 9.26879 8.78511 12.9345 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 9.41538 10.5977 6.89423 7.64485 8.78511 12.9345 numMergedOcc 0
5 mol 37 unq 0 iso 0 dist 6.32052 10.2809 8.5893 8.79311 9.59073 6.28359 numMergedOcc 0
6 mol 37 unq 1 iso 0 dist 6.32052 10.4334 8.22608 8.79311 9.59073 14.1804 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 5.81662 6.92267 8.99393 8.70524 5.4713 6.97552 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 6.77993 5.22926 8.96446 5.41241 7.62463 8.53951 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 6.98134 6.15779 7.70636 8.3164 9.87354 10.5814 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 6.98134 9.13854 6.82267 8.3164 9.87354 15.5585 numMergedOcc 0
11 mol 116 unq 2 iso 0 dist 8.55413 8.68996 7.70636 14.4915 9.87354 10.5814 numMergedOcc 0
12 mol 116 unq 3 iso 0 dist 8.55413 5.50076 6.82267 14.4915 9.87354 15.5585 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.00382 5.43796 8.45086 5.74741 9.4366 11.0504 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.78251 14.813 7.62945 12.6481 9.34653 9.55695 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 4.55528 7.59741 7.26295 8.22995 4.45769 11.023 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 4.55528 7.59741 7.26295 12.3429 8.99961 12.3736 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 4.42095 7.59741 7.31316 8.22995 5.89939 11.023 numMergedOcc 0
18 mol 194 unq 3 iso 0 dist 4.42095 7.59741 7.31316 12.3429 8.18853 12.3736 numMergedOcc 0
19 mol 194 unq 4 iso 0 dist 4.42095 12.4055 8.9865 8.22995 5.89939 9.72284 numMergedOcc 0
20 mol 194 unq 5 iso 0 dist 4.42095 12.4055 8.9865 12.3429 8.18853 8.10284 numMergedOcc 0
21 mol 194 unq 6 iso 0 dist 6.88386 11.577 7.26295 7.39897 4.45769 11.023 numMergedOcc 0
22 mol 194 unq 7 iso 0 dist 6.88386 11.577 7.26295 10.3177 8.99961 12.3736 numMergedOcc 0
23 mol 194 unq 8 iso 0 dist 4.63898 11.577 7.31316 7.39897 5.89939 11.023 numMergedOcc 0
24 mol 194 unq 9 iso 0 dist 4.63898 11.577 7.31316 10.3177 8.18853 12.3736 numMergedOcc 0
25 mol 194 unq 10 iso 0 dist 4.63898 7.3101 8.9865 7.39897 5.89939 9.72284 numMergedOcc 0
26 mol 194 unq 11 iso 0 dist 4.63898 7.3101 8.9865 10.3177 8.18853 8.10284 numMergedOcc 0
27 mol 194 unq 12 iso 0 dist 9.53641 7.22039 7.31316 15.1388 5.89939 11.023 numMergedOcc 0
28 mol 194 unq 13 iso 0 dist 9.53641 7.22039 7.31316 14.9856 8.18853 12.3736 numMergedOcc 0
29 mol 194 unq 14 iso 0 dist 9.53641 15.217 8.9865 15.1388 5.89939 9.72284 numMergedOcc 0
30 mol 194 unq 15 iso 0 dist 9.53641 15.217 8.9865 14.9856 8.18853 8.10284 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.7917 4.66494 8.33245 10.2527 6.39673 11.0888 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 8.7917 4.66494 8.33245 9.47138 7.80676 6.80198 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 7.45508 4.30527 7.14918 10.7383 7.97504 6.96767 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 8.88629 5.3475 7.54349 6.96456 7.62991 7.44658 numMergedOcc 0
35 mol 252 unq 1 iso 0 dist 5.2116 9.93257 7.38867 12.3685 9.81261 8.846 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 8.4625 5.7177 9.57637 8.93497 4.93516 8.58414 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 9.03468 13.1162 9.2144 6.05528 8.06767 9.11127 numMergedOcc 0
38 mol 287 unq 2 iso 0 dist 9.03468 13.1162 9.2144 13.0121 9.91087 18.3972 numMergedOcc 0
39 mol 287 unq 3 iso 0 dist 6.05363 13.3584 9.2144 11.2805 8.06767 9.11127 numMergedOcc 0
40 mol 287 unq 4 iso 0 dist 6.05363 13.3584 9.2144 6.24038 9.91087 18.3972 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 8.4625 5.7177 9.57637 8.93497 4.93516 8.58414 numMergedOcc 0
42 mol 288 unq 1 iso 0 dist 9.03468 13.1162 9.2144 6.05528 8.06767 9.11127 numMergedOcc 0
43 mol 288 unq 2 iso 0 dist 9.03468 13.1162 9.2144 13.0121 9.91087 18.3972 numMergedOcc 0
44 mol 288 unq 3 iso 0 dist 6.05363 13.3584 9.2144 11.2805 8.06767 9.11127 numMergedOcc 0
45 mol 288 unq 4 iso 0 dist 6.05363 13.3584 9.2144 6.24038 9.91087 18.3972 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 8.4625 5.7177 9.57637 8.93497 4.93516 8.58414 numMergedOcc 0
47 mol 289 unq 1 iso 0 dist 9.03468 13.1162 9.2144 6.05528 8.06767 9.11127 numMergedOcc 0
48 mol 289 unq 2 iso 0 dist 9.03468 13.1162 9.2144 13.0121 9.91087 18.3972 numMergedOcc 0
49 mol 289 unq 3 iso 0 dist 6.05363 13.3584 9.2144 11.2805 8.06767 9.11127 numMergedOcc 0
50 mol 289 unq 4 iso 0 dist 6.05363 13.3584 9.2144 6.24038 9.91087 18.3972 numMergedOcc 0
