0 mol 18 unq 0 iso 0 dist 8.51213 9.7728 15.8027 7.30279 7.55766 16.8099 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 9.10877 8.61597 13.6379 3.74136 9.4523 6.46217 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 6.19867 7.22615 6.08084 9.3456 5.92032 11.2711 numMergedOcc 0
3 mol 96 unq 1 iso 0 dist 8.35452 6.02608 11.6473 5.93362 5.92032 11.5779 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.42431 6.33923 6.34994 9.30538 7.71107 12.3768 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 7.42431 9.9801 8.26306 9.30538 7.71107 15.4321 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.20009 5.56598 5.61274 15.3512 8.93905 14.1324 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 8.14799 5.39792 5.61274 14.3305 8.93905 14.1324 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 8.14799 8.44206 3.35803 14.3305 8.93905 10.2198 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.23551 8.94352 12.7148 5.78019 6.28351 13.1125 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 7.4653 5.39386 7.06219 5.88056 5.49226 9.032 numMergedOcc 0
11 mol 147 unq 2 iso 0 dist 7.4653 5.79819 4.19634 5.88056 5.49226 7.19893 numMergedOcc 0
12 mol 147 unq 3 iso 0 dist 7.4653 6.03024 4.45407 5.88056 5.49226 6.37938 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.03632 6.51748 6.60451 4.19444 7.88319 8.06621 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.8508 7.00382 4.63377 10.5732 7.28841 10.4884 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.09426 8.78251 4.04122 13.9257 9.83476 13.3578 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 7.09426 8.78251 4.04122 7.15761 6.258 6.08596 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.66975 9.38235 14.5003 13.1353 8.0144 20.5525 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.66975 8.95509 14.597 13.1353 8.0144 17.5797 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.04106 6.2669 4.30308 10.0849 5.60393 5.19567 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.95261 9.79593 10.9989 14.4618 9.95546 20.292 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.70123 9.50155 6.7745 5.16567 6.57903 11.1749 numMergedOcc 0
