0 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 7.88348 9.3223 12.3058 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.77719 6.76158 16.4255 8.72422 9.3223 12.8672 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.77719 7.423 16.0765 8.72422 9.3223 10.8131 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.77719 5.89257 13.6412 8.72422 9.3223 9.3779 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.65006 5.61831 3.35924 5.94401 6.63973 6.46582 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.56 6.29801 3.07021 8.97165 8.59739 10.2786 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.54537 8.57479 9.11654 14.7235 9.44737 17.8028 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 5.15951 4.30961 3.54756 4.3613 6.67635 6.3323 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 8.65328 8.47439 10.919 9.52243 9.23064 10.1297 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 5.98495 8.00826 8.19592 7.0159 6.76574 13.457 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 4.58113 6.15671 5.31124 5.21233 7.25438 9.64364 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 9.48525 7.22151 12.315 13.2026 9.49163 14.2907 numMergedOcc 0
12 mol 225 unq 2 iso 0 dist 9.48525 7.22151 12.315 10.8267 9.99149 10.9951 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 8.52702 7.13397 15.6308 11.113 7.27503 17.4567 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 8.52702 5.33278 10.6938 11.113 7.27503 14.7696 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.37164 7.96707 7.98095 5.5725 9.14467 12.6134 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 7.37164 7.96707 7.98095 5.5725 9.14467 12.6134 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 7.37164 7.96707 7.98095 5.5725 9.14467 12.6134 numMergedOcc 0
