0 mol 34 unq 0 iso 0 dist 6.35997 6.66835 4.75881 9.95442 3.76025 7.4403 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.35997 6.66835 4.75881 14.0114 8.50202 8.61815 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 7.68019 5.29955 4.75881 9.4815 9.78639 9.56614 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 13.2722 5.67204 8.44353 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 13.2722 5.67204 6.11249 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 9.48328 9.72788 9.02535 13.2722 5.67204 7.86326 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 7.46478 10.803 5.61151 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 8.15861 6.17121 7.04244 7.46478 10.803 6.54289 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 12.9165 9.46256 7.52869 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 12.359 6.34431 9.18945 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.33923 5.56913 9.34782 9.02541 11.4065 7.75479 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.44 7.68828 4.49669 6.32393 5.09579 5.45882 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 9.44 8.44413 6.00221 6.32393 5.09579 4.57487 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 8.47634 7.68828 5.88896 6.32393 5.46299 5.45882 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 20.2487 14.0485 8.53618 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 8.09682 3.61945 5.56127 11.5228 4.43225 8.53618 numMergedOcc 0
16 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 11.5228 14.0485 8.53618 numMergedOcc 0
17 mol 123 unq 3 iso 0 dist 7.41568 3.61945 5.36214 11.5228 8.58632 8.53618 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 7.53591 4.40012 5.60448 12.9661 9.53687 9.68074 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 8.34503 3.48408 5.60448 11.978 9.53687 9.68074 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 8.80672 6.68247 4.51124 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 7.15344 11.8793 8.54737 8.80672 6.68247 8.41517 numMergedOcc 0
22 mol 204 unq 2 iso 0 dist 9.98617 6.82158 9.93489 8.80672 7.51762 4.51124 numMergedOcc 0
23 mol 204 unq 3 iso 0 dist 9.98617 11.8793 7.64057 8.80672 7.51762 8.41517 numMergedOcc 0
24 mol 204 unq 4 iso 0 dist 8.09863 6.29741 8.54737 13.6841 11.4601 7.76863 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 5.65735 6.46348 9.54529 11.1634 8.74865 8.9632 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 9.11501 7.52009 6.48099 11.7015 5.91135 5.30187 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.43884 12.3524 9.9965 15.7839 17.4207 9.6721 numMergedOcc 0
28 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 10.7812 14.4804 9.94612 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 15.272 8.99193 5.50067 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.15636 11.4888 6.24487 14.2815 7.45064 7.1388 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 15.272 8.99193 5.50067 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.15636 11.4888 6.24487 14.2815 7.45064 7.1388 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 15.272 8.99193 5.50067 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 8.15636 11.4888 6.24487 14.2815 7.45064 7.1388 numMergedOcc 0
