0 mol 5 unq 0 iso 0 dist 8.25372 7.57575 7.95876 4.55134 4.98321 4.21127 6.13695 7.74636 10.0149 6.98653 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.87762 12.9926 7.18022 12.2504 7.01952 4.55481 4.96658 9.41098 13.1004 14.0196 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.06787 5.87231 7.28228 9.58409 5.40489 5.46827 4.50355 9.32314 4.32161 9.49077 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.65006 5.27863 8.23026 10.0759 9.08825 6.46372 5.5308 5.45099 4.27653 5.16522 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.65006 5.27863 8.23026 10.0759 9.08825 6.46372 10.5881 8.44765 10.934 9.60553 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 5.65006 5.27863 8.23026 10.0759 9.08825 6.46372 9.74852 9.06643 11.8887 12.9855 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 9.19254 4.7924 7.37333 9.64824 9.43904 5.65603 5.67773 8.91326 4.68369 5.34959 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 5.09756 5.01462 8.90571 5.565 8.5672 5.75483 6.14958 9.17458 9.14919 5.53349 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 5.09756 5.01462 8.90571 5.565 8.5672 5.75483 5.87342 7.36794 9.11577 4.65666 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 5.09756 6.15341 6.61112 5.565 8.5672 10.8286 6.14958 9.17458 12.2442 5.53349 numMergedOcc 0
10 mol 186 unq 3 iso 0 dist 5.09756 6.15341 6.61112 5.565 8.5672 10.8286 5.87342 7.36794 11.7398 4.65666 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 8.18482 5.11128 9.31526 11.3881 9.91727 12.1607 8.29433 9.75417 13.1782 13.1522 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.3407 8.9058 7.21137 9.68207 5.03818 4.3093 12.1876 7.68686 9.8496 6.49396 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 6.3407 8.9058 7.21137 4.60102 6.40171 7.94891 12.1876 7.68686 9.8496 8.93955 numMergedOcc 0
14 mol 205 unq 2 iso 0 dist 6.3407 10.4602 8.4844 9.68207 5.03818 8.90569 12.1876 7.68686 4.69695 6.49396 numMergedOcc 0
15 mol 205 unq 3 iso 0 dist 6.3407 10.4602 8.4844 4.60102 6.40171 6.37317 12.1876 7.68686 4.69695 8.93955 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 10.415 8.14294 8.34852 13.8153 8.88902 8.89157 10.1968 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.42359 13.504 8.69318 5.69077 8.30024 10.2068 6.56644 9.53137 16.0709 8.97648 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 7.42359 13.504 8.69318 9.70906 8.20943 5.74165 6.56644 9.53137 16.0709 14.0671 numMergedOcc 0
