0 mol 11 unq 0 iso 0 dist 9.98578 10.5542 8.22997 18.4317 12.1836 8.23032 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.08367 5.97492 8.22997 12.1914 12.1836 8.23032 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 7.19061 9.79813 8.22997 16.5389 12.1836 8.23032 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.14139 12.577 8.40993 16.3678 11.5504 7.95811 numMergedOcc 0
4 mol 11 unq 4 iso 0 dist 6.91808 9.53437 8.40993 15.4187 11.5504 7.95811 numMergedOcc 0
5 mol 11 unq 5 iso 0 dist 5.87616 6.5069 8.23032 13.8553 12.1836 8.22997 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 8.61209 4.31691 6.66861 10.2973 5.41839 6.72084 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 5.7638 6.96815 6.66861 8.55679 5.41839 6.72084 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 8.55679 6.96815 6.72084 5.7638 5.41839 6.66861 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.40399 6.0425 9.78129 10.193 5.45052 8.17655 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.28452 5.58964 5.37302 13.4674 8.68982 8.03783 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.28452 5.58964 5.37302 13.3163 11.0841 8.47541 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 8.44004 12.297 5.37302 16.3773 8.68982 8.03783 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 8.44004 12.297 5.37302 19.4235 11.0841 8.47541 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 9.35162 10.2009 9.49761 17.6549 11.7069 8.87314 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 9.35162 10.2009 9.49761 12.6527 3.93975 9.38436 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.22456 8.11294 9.04845 13.5693 7.3347 7.94325 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 9.22456 8.11294 9.04845 5.7232 12.3753 6.72323 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 5.7232 8.11294 6.72323 9.22456 12.3753 9.04845 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 5.7232 8.11294 6.72323 13.5693 14.0664 7.94325 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 8.0302 6.13227 8.01453 12.0113 9.03348 6.78469 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.65051 5.50161 8.01453 10.9046 9.03348 6.78469 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 9.41519 9.59112 8.01453 14.0653 9.03348 6.78469 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.56204 5.82243 5.51388 13.8292 8.58882 8.17917 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 8.56204 5.82243 5.51388 13.6816 11.0771 8.68909 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.63713 10.5886 8.63119 13.6065 7.37799 5.66363 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.63713 10.5886 8.63119 11.4115 5.54834 5.97968 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 8.63713 10.5886 8.63119 10.6505 9.33658 8.50382 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 7.91999 5.9589 7.40027 11.8525 4.66266 9.69601 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.92025 12.8555 8.37813 14.1317 8.40987 9.14116 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.6856 6.60614 9.58735 9.98868 4.84513 8.12414 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 9.98868 6.60614 8.12414 8.6856 4.84513 9.58735 numMergedOcc 0
