0 mol 44 unq 0 iso 0 dist 9.25037 4.47522 7.61923 13.3633 14.0111 9.25641 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.39124 10.7612 7.57749 9.56305 5.91159 9.14996 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 7.39124 6.57152 8.55202 9.56305 5.91159 9.47718 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.56 8.97165 8.59739 7.18358 3.80156 7.74131 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.53198 8.97892 6.12348 12.2185 7.09333 9.64281 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 8.65328 9.52243 9.23064 10.4499 9.43003 9.76722 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 6.4644 8.878 6.27683 11.7706 7.0638 9.83308 numMergedOcc 0
7 mol 169 unq 1 iso 0 dist 6.4644 8.878 6.27683 16.9188 13.7432 8.97159 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 5.98495 7.0159 6.76574 8.30819 9.74745 8.59783 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 7.1329 5.42437 8.8637 7.83389 3.81315 7.95713 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 4.58113 5.21233 7.25438 12.9433 11.662 8.99496 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 9.48525 13.2026 9.49163 16.7567 8.51677 8.31651 numMergedOcc 0
12 mol 225 unq 2 iso 0 dist 9.48525 10.8267 9.99149 7.11262 6.04066 8.99496 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 7.79426 6.03685 5.76164 7.09902 3.98113 7.74693 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 7.86214 11.237 7.1229 14.504 10.7478 7.74693 numMergedOcc 0
15 mol 233 unq 2 iso 0 dist 5.29501 5.5881 7.1229 11.4549 10.7478 7.74693 numMergedOcc 0
16 mol 233 unq 3 iso 0 dist 8.81206 11.4518 7.1229 18.0619 10.7478 7.74693 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.93282 10.1934 4.95855 13.2845 6.09466 5.30455 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.93282 10.1934 4.95855 11.678 5.49348 7.34794 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 8.90555 10.1934 7.72489 13.2845 7.9016 5.30455 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 8.90555 10.1934 7.72489 11.678 5.13138 7.34794 numMergedOcc 0
