0 mol 26 unq 0 iso 0 dist 5.29367 8.07937 4.02057 4.87741 6.89136 10.6589 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.07937 5.29367 4.02057 14.9314 6.88695 10.2329 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.90481 6.30807 7.5925 6.67111 6.88974 5.5814 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 6.30807 5.90481 7.5925 6.67111 5.5814 6.88974 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.64665 9.42869 15.8202 9.0032 8.46556 18.1412 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 6.27668 9.46247 14.1308 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 7.99121 6.30982 5.11161 6.8104 4.98864 7.95871 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 7.99121 6.12404 10.7282 6.8104 4.98864 10.8398 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 6.30982 7.99121 5.11161 6.8104 7.95871 4.98864 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 6.30982 7.99121 5.11161 5.79342 9.80286 13.1665 numMergedOcc 0
10 mol 115 unq 4 iso 0 dist 6.30982 6.12404 6.56935 6.8104 7.95871 10.8398 numMergedOcc 0
11 mol 115 unq 5 iso 0 dist 6.30982 6.12404 6.56935 5.79342 9.80286 6.48328 numMergedOcc 0
12 mol 115 unq 6 iso 0 dist 6.12404 7.99121 10.7282 5.79342 6.48328 13.1665 numMergedOcc 0
13 mol 115 unq 7 iso 0 dist 6.12404 6.30982 6.56935 5.79342 6.48328 9.80286 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.7232 5.59311 10.5425 8.76089 9.50322 12.969 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.7232 5.59311 10.5425 6.80087 5.82404 9.84918 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.7232 9.22456 12.3753 8.76089 9.50322 16.8036 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 5.7232 9.22456 12.3753 6.80087 5.82404 11.3707 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 8.11904 9.02576 3.69868 10.6861 9.66407 10.9816 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.08796 5.93515 6.7732 10.9813 9.84952 10.8641 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.93515 5.08796 6.7732 10.7307 7.41378 13.0935 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 6.06763 7.5578 5.81461 12.6996 9.878 14.6746 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.6011 9.44772 8.22777 7.03438 7.80299 12.9993 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.44772 8.6011 8.22777 14.1208 8.03995 15.5874 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 6.83539 9.58385 5.17942 4.41663 9.86371 13.4957 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 6.83539 6.22747 3.3846 4.41663 9.86371 9.13552 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 6.83539 9.21404 13.3606 4.41663 9.86371 10.0918 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 6.22747 9.58385 5.22094 4.41663 9.13552 13.4957 numMergedOcc 0
28 mol 225 unq 4 iso 0 dist 6.22747 6.83539 3.3846 4.41663 9.13552 9.86371 numMergedOcc 0
29 mol 225 unq 5 iso 0 dist 6.22747 9.21404 10.4457 4.41663 9.13552 10.0918 numMergedOcc 0
30 mol 226 unq 0 iso 0 dist 7.9801 6.17825 4.07375 12.195 7.117 9.18697 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 4.43243 5.92025 5.26871 5.03598 5.66569 6.11137 numMergedOcc 0
32 mol 236 unq 1 iso 0 dist 4.43243 9.04819 11.4554 5.03598 5.66569 12.6124 numMergedOcc 0
33 mol 236 unq 2 iso 0 dist 5.92025 4.43243 5.26871 5.03598 6.11137 5.66569 numMergedOcc 0
34 mol 236 unq 3 iso 0 dist 5.92025 4.43243 5.26871 5.6375 7.89744 9.48215 numMergedOcc 0
35 mol 236 unq 4 iso 0 dist 5.92025 9.04819 8.96137 5.03598 6.11137 12.6124 numMergedOcc 0
36 mol 236 unq 5 iso 0 dist 5.92025 9.04819 8.96137 5.6375 7.89744 8.6417 numMergedOcc 0
37 mol 236 unq 6 iso 0 dist 9.04819 4.43243 11.4554 5.6375 8.6417 9.48215 numMergedOcc 0
38 mol 236 unq 7 iso 0 dist 9.04819 5.92025 8.96137 5.6375 8.6417 7.89744 numMergedOcc 0
