0 mol 53 unq 0 iso 0 dist 7.72123 7.13301 8.79235 13.3569 14.8207 9.32314 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 9.92929 7.18166 6.12663 12.786 12.0024 9.54696 numMergedOcc 0
2 mol 79 unq 1 iso 0 dist 9.92929 7.18166 6.12663 6.75985 5.78777 4.62636 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.47394 13.4088 8.23073 14.725 6.84485 4.3439 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.18095 3.94084 5.99965 9.98215 6.85215 8.72957 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 8.49761 8.3164 8.33185 6.98134 11.193 9.87354 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 9.1678 7.62254 4.89503 8.24681 6.50596 6.77583 numMergedOcc 0
7 mol 158 unq 1 iso 0 dist 9.94593 9.50276 4.89503 6.51748 6.50596 6.77583 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 8.43359 9.58574 5.08603 13.5887 5.27339 8.23162 numMergedOcc 0
9 mol 193 unq 0 iso 0 dist 8.30095 4.0847 8.44337 7.73964 14.2741 6.94187 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 8.73074 13.3819 7.7619 14.0499 5.46544 7.04521 numMergedOcc 0
11 mol 198 unq 1 iso 0 dist 8.73074 13.3819 7.7619 14.7725 6.14119 8.85265 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.30459 3.93117 5.81438 12.0038 10.6524 8.23717 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 7.30459 3.93117 5.81438 11.4002 9.88337 7.98864 numMergedOcc 0
14 mol 204 unq 2 iso 0 dist 8.73423 11.1412 5.81438 16.2455 10.6524 8.23717 numMergedOcc 0
15 mol 204 unq 3 iso 0 dist 8.73423 11.1412 5.81438 14.0842 9.88337 7.98864 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.74406 7.96442 8.44407 11.3498 10.4614 9.59928 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 7.74406 3.87538 6.0155 11.3498 10.4614 7.70062 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 7.74406 3.87538 6.0155 11.0328 9.84398 7.66702 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 7.74406 11.5715 8.89981 18.8703 13.9172 8.7434 numMergedOcc 0
20 mol 255 unq 0 iso 0 dist 5.84157 4.04928 7.58813 12.1885 13.7865 8.7958 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.70632 6.11441 4.93584 11.727 6.91113 9.83672 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.93979 12.3223 7.03656 14.4657 5.67885 8.62266 numMergedOcc 0
