0 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 6.10468 6.21423 9.44909 11.0282 8.23606 13.8654 6.5318 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 6.10468 7.85573 7.78905 6.5318 8.23606 13.8654 11.0282 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 15.8202 7.28917 18.1412 8.24748 8.30431 12.3891 14.4616 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 9.96948 9.66744 12.9661 7.53682 5.39171 6.30194 14.7261 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 6.67575 4.99966 6.35372 10.3429 8.9889 13.6948 4.36597 7.57822 7.55805 10.1806 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 6.14668 8.11083 12.2141 9.79203 8.59182 13.6568 5.26073 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 7.57921 7.03858 14.1938 8.75242 9.07294 15.4604 6.45333 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 6.85651 9.3894 8.00493 7.57921 7.03858 14.1938 14.0828 7.50126 12.9713 11.5586 numMergedOcc 0
8 mol 139 unq 0 iso 0 dist 8.27507 6.34417 10.3273 7.6075 9.99665 13.5702 10.8123 9.75151 16.5585 5.59935 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 5.79753 8.3337 8.69245 10.6986 7.56537 12.045 12.1167 8.51118 16.0074 5.79567 numMergedOcc 0
10 mol 197 unq 1 iso 0 dist 5.79753 5.41292 4.6678 10.6986 7.56537 11.7166 12.1167 8.51118 13.1397 5.79567 numMergedOcc 0
11 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 4.32316 8.43448 8.94023 5.4063 4.46389 10.516 5.26413 numMergedOcc 0
12 mol 249 unq 1 iso 0 dist 8.43448 8.94023 9.82483 4.32316 7.279 6.37672 5.26413 4.46389 10.516 5.4063 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 7.97113 9.12507 13.3027 5.25523 8.38479 9.57887 6.92619 8.91916 14.9752 11.3266 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 5.22111 9.12507 12.3218 5.25523 8.53598 9.57887 9.98638 9.45077 18.9727 12.9823 numMergedOcc 0
15 mol 259 unq 2 iso 0 dist 5.22111 9.12507 12.3218 5.25523 8.53598 9.57887 6.92619 4.55368 14.9752 11.3266 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 14.4112 8.05522 20.4776 4.93509 7.61232 10.9135 11.7681 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 9.8799 6.83408 5.11257 14.4112 8.05522 12.5282 4.93509 7.61232 6.80096 11.7681 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 3.90274 8.12852 5.73592 6.47501 9.33447 14.3918 5.01049 5.28417 10.3469 7.61055 numMergedOcc 0
