0 mol 13 unq 0 iso 0 dist 8.37063 6.80844 11.1689 6.39939 5.99004 9.65051 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 6.80844 8.37063 11.1689 6.39939 9.65051 5.99004 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.6082 4.09276 5.43691 4.71264 6.67704 6.67079 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 4.09276 7.6082 5.43691 4.71264 6.67079 6.67704 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.41011 6.14602 7.82906 10.0797 5.81645 12.9147 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 7.41011 6.14602 7.82906 6.29545 6.75026 10.6308 numMergedOcc 0
6 mol 145 unq 0 iso 0 dist 6.87753 9.03586 6.25649 4.17909 9.82695 9.73998 numMergedOcc 0
7 mol 145 unq 1 iso 0 dist 9.03586 6.87753 6.25649 4.17909 9.73998 9.82695 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 9.13184 7.27593 11.1396 6.11369 8.32841 6.56065 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 9.13184 7.27593 11.1396 8.26792 6.00295 10.3001 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 7.27593 9.13184 11.1396 4.33572 6.10069 12.7365 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 7.27593 9.13184 11.1396 6.11369 6.56065 8.32841 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.14877 8.18021 8.46989 6.78739 5.25309 10.1186 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 6.42375 9.76309 5.16245 9.59572 8.76958 13.823 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 8.19381 8.93421 15.6469 4.38246 5.60146 12.8595 numMergedOcc 0
15 mol 244 unq 1 iso 0 dist 8.19381 7.35657 11.0309 4.38246 5.60146 9.80249 numMergedOcc 0
16 mol 244 unq 2 iso 0 dist 8.19381 6.19605 13.7622 4.38246 5.60146 10.4821 numMergedOcc 0
17 mol 244 unq 3 iso 0 dist 7.35657 8.19381 11.0309 4.38246 9.80249 5.60146 numMergedOcc 0
18 mol 244 unq 4 iso 0 dist 7.35657 8.93421 6.15094 4.38246 9.80249 12.8595 numMergedOcc 0
19 mol 244 unq 5 iso 0 dist 7.35657 6.19605 9.19601 4.38246 9.80249 10.4821 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 9.83374 5.97798 6.91672 14.6007 8.16005 14.3828 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 5.75335 8.76527 6.91672 7.55971 8.16005 14.3828 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.34154 9.07176 6.55493 4.01471 8.6522 7.31529 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 8.34154 5.90456 10.7055 4.01471 8.6522 5.21664 numMergedOcc 0
24 mol 279 unq 2 iso 0 dist 9.07176 8.34154 6.55493 4.01471 7.31529 8.6522 numMergedOcc 0
25 mol 279 unq 3 iso 0 dist 9.07176 5.90456 7.32436 4.01471 7.31529 5.21664 numMergedOcc 0
26 mol 279 unq 4 iso 0 dist 5.90456 8.34154 10.7055 4.01471 5.21664 8.6522 numMergedOcc 0
27 mol 279 unq 5 iso 0 dist 5.90456 9.07176 7.32436 4.01471 5.21664 7.31529 numMergedOcc 0
