0 mol 24 unq 0 iso 0 dist 4.61828 9.20254 6.60423 10.4452 5.97304 8.86116 13.674 9.38831 6.58998 6.72502 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.924 3.85308 7.33422 11.7729 6.82174 7.95579 7.24399 10.6458 5.08358 8.00777 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.924 3.85308 7.33422 9.8682 7.91778 6.19965 7.24399 10.6458 5.08358 7.1589 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.35503 10.0299 7.23962 11.0565 3.98564 9.60462 16.5544 10.7583 11.0629 8.729 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 7.35503 11.5698 7.30204 11.0565 3.98564 7.45389 16.5544 10.7583 5.48848 8.729 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 8.79543 11.7503 7.23962 11.6825 3.98564 9.60462 15.8165 10.7583 11.0629 8.729 numMergedOcc 0
6 mol 112 unq 3 iso 0 dist 8.79543 10.886 7.30204 11.6825 3.98564 7.45389 15.8165 10.7583 5.48848 8.729 numMergedOcc 0
7 mol 112 unq 4 iso 0 dist 6.48223 10.626 7.23962 5.81552 3.98564 9.60462 7.79791 10.7583 11.0629 8.729 numMergedOcc 0
8 mol 112 unq 5 iso 0 dist 6.48223 5.27363 7.30204 5.81552 3.98564 7.45389 7.79791 10.7583 5.48848 8.729 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 9.56867 7.3094 7.88312 4.64486 8.71286 7.21418 5.74857 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 10.2589 3.78311 8.73993 16.2159 8.03035 4.91132 8.56342 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 10.2589 3.78311 8.73993 11.6573 7.6968 6.08167 6.37542 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.19078 11.3742 8.28642 13.1463 5.70788 5.87555 6.79236 6.39031 5.59336 8.35555 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.17868 9.85133 6.2319 14.4092 5.82636 8.34702 7.59931 4.9941 5.71107 7.73169 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 9.17868 9.85133 6.2319 14.4092 5.82636 8.34702 17.1327 8.06913 10.7023 5.38091 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 9.17868 15.9362 9.97732 14.4092 5.82636 9.06726 7.59931 4.9941 11.2067 7.73169 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 9.17868 15.9362 9.97732 14.4092 5.82636 9.06726 17.1327 8.06913 9.00862 5.38091 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 4.97005 9.14781 8.64409 11.0743 9.97575 9.09754 10.0516 7.55358 4.37002 6.85302 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 4.97005 9.14781 8.64409 11.0743 9.97575 9.09754 5.57831 7.60991 4.64235 9.98215 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 9.04499 5.68063 7.862 7.27481 6.42798 6.00706 10.5003 12.5422 6.03524 8.48341 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 17.255 11.0628 7.22101 10.8608 9.56257 10.5813 8.03442 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.33735 10.8811 5.4694 17.255 11.0628 8.65997 10.8608 9.56257 7.22396 8.03442 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 7.11691 11.9042 9.64269 6.62923 4.86504 9.97651 14.4134 12.7305 10.26 9.19033 numMergedOcc 0
23 mol 272 unq 1 iso 0 dist 7.11691 5.27123 8.46061 6.62923 4.86504 8.46116 14.4134 12.7305 13.5034 9.19033 numMergedOcc 0
