0 mol 38 unq 0 iso 0 dist 6.12374 4.46801 7.00717 8.95116 3.50961 8.50003 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.52697 8.47393 9.04293 9.9818 6.48468 4.78333 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.24296 3.81285 4.29937 6.83218 3.78063 3.65628 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 6.24296 3.81285 4.29937 10.9154 13.0538 9.77774 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 6.24296 6.17121 5.37869 6.83218 3.78063 4.05415 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 6.24296 6.17121 5.37869 10.9154 13.0538 9.97944 numMergedOcc 0
6 mol 85 unq 4 iso 0 dist 6.83218 3.81285 3.65628 6.24296 3.78063 4.29937 numMergedOcc 0
7 mol 85 unq 5 iso 0 dist 6.83218 3.81285 3.65628 10.9154 9.79029 9.77774 numMergedOcc 0
8 mol 85 unq 6 iso 0 dist 6.83218 6.17121 4.05415 6.24296 3.78063 5.37869 numMergedOcc 0
9 mol 85 unq 7 iso 0 dist 6.83218 6.17121 4.05415 10.9154 9.79029 9.97944 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.43355 3.99275 8.28591 5.64141 5.21654 5.35008 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 9.43355 3.99275 8.28591 5.46186 13.3531 8.30921 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 9.43355 6.46195 9.40687 5.64141 5.21654 8.84576 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 9.43355 6.46195 9.40687 5.46186 13.3531 7.39732 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 5.64141 3.99275 5.35008 9.43355 5.21654 8.28591 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 5.64141 3.99275 5.35008 5.46186 10.7398 8.30921 numMergedOcc 0
16 mol 93 unq 6 iso 0 dist 5.64141 6.46195 8.84576 9.43355 5.21654 9.40687 numMergedOcc 0
17 mol 93 unq 7 iso 0 dist 5.64141 6.46195 8.84576 5.46186 10.7398 7.39732 numMergedOcc 0
18 mol 93 unq 8 iso 0 dist 5.46186 3.99275 8.30921 9.43355 13.3531 8.28591 numMergedOcc 0
19 mol 93 unq 9 iso 0 dist 5.46186 3.99275 8.30921 5.64141 10.7398 5.35008 numMergedOcc 0
20 mol 93 unq 10 iso 0 dist 5.46186 6.46195 7.39732 9.43355 13.3531 9.40687 numMergedOcc 0
21 mol 93 unq 11 iso 0 dist 5.46186 6.46195 7.39732 5.64141 10.7398 8.84576 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 8.10157 3.75216 5.12272 10.1742 5.10774 7.7464 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 8.66311 3.86496 8.93091 10.2304 3.71099 9.06172 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.22792 10.2655 6.94594 14.9167 6.09215 9.17458 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.22792 11.6331 5.81881 14.9167 6.09215 7.36794 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.98518 3.76412 8.06767 10.8038 13.523 9.91087 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.98518 3.76412 8.06767 10.8038 13.523 9.91087 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.98518 3.76412 8.06767 10.8038 13.523 9.91087 numMergedOcc 0
