0 mol 7 unq 0 iso 0 dist 8.75465 5.8785 8.36111 15.0884 9.87885 17.4437 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 5.8785 8.36111 6.3236 6.1206 5.77391 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 5.8785 5.99898 6.3236 7.67927 5.77391 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.00249 5.71606 7.2834 6.3236 7.67927 10.3415 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.20886 5.50284 5.49421 10.5933 7.66093 6.12361 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.28726 14.0065 8.8326 10.5571 8.13108 15.957 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.91797 9.64715 6.74197 15.3018 9.64383 12.31 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.91797 9.64715 6.74197 9.41666 7.54889 11.0642 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.91797 9.64715 6.74197 9.57791 7.78931 7.71768 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.59103 11.3918 9.05604 8.36322 6.29161 5.25186 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 7.85205 11.3792 8.54233 7.96311 6.10127 5.34484 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 8.09403 9.23342 9.07247 4.59843 5.96423 7.25468 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.00537 13.8548 7.12029 11.4985 8.90571 6.94867 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.00537 13.8548 7.12029 9.40374 6.61112 5.77884 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 8.9388 12.2795 7.12029 8.63909 8.90571 6.94867 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 8.9388 12.2795 7.12029 12.4751 6.61112 5.77884 numMergedOcc 0
16 mol 207 unq 0 iso 0 dist 7.25953 11.2345 8.01415 5.6688 5.12567 5.62653 numMergedOcc 0
17 mol 207 unq 1 iso 0 dist 9.05688 11.3486 9.3 10.6526 9.98372 10.0122 numMergedOcc 0
18 mol 207 unq 2 iso 0 dist 9.05688 11.3486 9.3 5.6688 6.0563 9.87241 numMergedOcc 0
19 mol 207 unq 3 iso 0 dist 9.05688 11.2345 8.25861 10.6526 9.98372 4.4545 numMergedOcc 0
20 mol 207 unq 4 iso 0 dist 9.05688 11.2345 8.25861 5.6688 6.0563 5.62653 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 9.41353 5.68697 6.72624 5.33123 9.62437 4.92005 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.63804 10.0079 8.51427 4.81906 5.56538 5.60111 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 5.46817 5.85313 5.54003 5.8297 8.67156 7.95216 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.61255 5.67354 9.40401 7.62102 9.30212 11.1036 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 9.61255 7.47139 5.64169 7.62102 9.30212 11.5127 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 7.26637 8.45752 8.76604 6.07975 7.24366 5.85038 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.62783 10.3394 9.02411 5.22669 9.19921 6.5173 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 7.62783 10.3394 9.02411 5.63763 6.41303 6.535 numMergedOcc 0
