0 mol 43 unq 0 iso 0 dist 8.74209 12.1846 9.23033 14.5833 8.34145 9.74667 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.85555 5.91728 9.23033 14.1685 8.34145 9.74667 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.07124 4.88072 6.54758 12.3961 9.47401 14.134 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.72469 6.38389 5.88256 3.62638 5.7369 4.58473 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.72469 9.90566 8.63633 3.62638 5.7369 6.5455 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.08834 10.6717 6.2454 7.24988 8.16401 7.75121 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.62245 13.0375 9.71722 6.18487 5.42044 7.07978 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 9.47287 6.42728 9.88678 9.41378 7.5573 10.0666 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 9.47287 6.42728 9.88678 7.46055 9.58633 8.33905 numMergedOcc 0
9 mol 130 unq 2 iso 0 dist 9.47287 10.2247 7.06547 9.41378 7.5573 9.69908 numMergedOcc 0
10 mol 130 unq 3 iso 0 dist 9.47287 10.2247 7.06547 7.46055 9.58633 10.1463 numMergedOcc 0
11 mol 135 unq 0 iso 0 dist 9.77227 5.09953 7.39651 13.414 9.79585 10.651 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.11314 7.77697 5.44814 15.2752 9.29944 12.4579 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.00537 17.738 9.82338 12.9635 8.5672 9.33116 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.9388 13.3203 9.82338 4.68208 8.5672 9.33116 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 8.13526 13.8513 9.68213 4.94644 6.69042 12.4844 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.36144 8.09615 5.83021 10.9033 9.95026 5.84459 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 9.36144 8.09615 5.83021 11.622 9.09594 4.25315 numMergedOcc 0
18 mol 206 unq 2 iso 0 dist 9.36144 15.0906 9.18711 10.9033 9.95026 7.76853 numMergedOcc 0
19 mol 206 unq 3 iso 0 dist 9.36144 15.0906 9.18711 11.622 9.09594 4.89614 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 7.25953 6.1494 8.72885 7.22657 4.76113 5.08264 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 5.56977 5.26468 5.79617 10.4985 9.43017 7.78712 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 8.28155 13.6728 8.46235 12.1239 9.37602 9.18805 numMergedOcc 0
23 mol 217 unq 1 iso 0 dist 8.28155 13.6728 8.46235 9.1242 8.26522 6.07874 numMergedOcc 0
24 mol 217 unq 2 iso 0 dist 8.28155 6.7582 5.27487 12.1239 9.37602 13.3672 numMergedOcc 0
25 mol 217 unq 3 iso 0 dist 8.28155 6.7582 5.27487 9.1242 8.26522 8.6943 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.63804 5.91478 5.07975 6.42324 8.14294 6.84149 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 8.61619 5.91478 4.85015 6.42324 5.72 6.84149 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.22453 7.09461 8.18813 10.3171 7.16209 13.3706 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 9.22453 7.09461 8.18813 10.6814 4.62936 12.1739 numMergedOcc 0
