0 mol 24 unq 0 iso 0 dist 8.88399 13.3625 8.3964 11.2267 10.0962 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.88399 13.3625 8.3964 14.0874 8.56474 4.30252 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.19554 4.38622 9.95325 6.35997 5.93713 7.37118 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.66461 4.31769 8.68989 6.77802 5.29743 8.40186 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.81136 7.10894 8.68989 11.5898 5.29743 8.40186 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.57528 4.31691 9.89804 9.2397 8.45962 6.76315 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 8.24934 6.96815 9.89804 10.6609 8.45962 6.76315 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.22704 10.6702 9.22889 8.85201 4.08459 5.79139 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.27877 4.32784 9.18097 8.15861 6.90443 8.04853 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.27877 4.32784 9.18097 10.0423 13.1381 6.46549 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.01351 5.75219 6.93893 7.09177 12.7678 9.97813 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.49761 5.27853 7.92221 11.8059 8.53743 8.58308 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 8.20389 7.34304 7.61237 13.1835 8.12622 7.4442 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 9.98958 4.27432 9.15141 12.3488 13.6484 8.1948 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.1678 6.4617 7.23059 8.24681 6.50596 4.6512 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 9.94593 6.99918 7.23059 6.51748 6.50596 4.6512 numMergedOcc 0
16 mol 158 unq 2 iso 0 dist 8.6903 6.41051 8.07946 11.3527 5.34159 7.20362 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 8.07461 13.1279 9.31025 14.7297 7.86779 5.67088 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 8.11014 6.01155 4.88303 13.6484 7.551 9.62748 numMergedOcc 0
19 mol 184 unq 1 iso 0 dist 8.11014 6.01155 4.88303 5.86468 4.75805 5.12964 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.63323 5.08932 6.83927 12.8473 6.92845 9.89191 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 8.08479 6.33919 6.77259 9.2684 12.1427 7.63543 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.93979 15.151 9.24164 15.1855 11.0658 8.25623 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 8.93979 15.151 9.24164 14.4657 5.67885 8.77098 numMergedOcc 0
24 mol 279 unq 2 iso 0 dist 8.93979 15.151 9.24164 21.0213 13.3369 9.78784 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 8.60635 6.25614 8.67838 13.4941 9.75548 9.373 numMergedOcc 0
