0 mol 54 unq 0 iso 0 dist 4.87397 8.6777 9.22563 4.42255 6.00709 12.9319 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 7.92027 9.1926 12.8256 11.7805 7.9399 18.5624 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.64534 8.69452 3.97053 4.29981 8.20976 10.0878 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 8.68497 4.95504 12.9904 14.5307 8.18695 18.3234 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.66549 8.15861 13.2781 7.18472 9.27456 12.1286 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.66549 9.27814 7.41484 7.18472 9.27456 7.67463 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.62621 7.09177 8.88997 11.0079 8.6176 16.0165 numMergedOcc 0
7 mol 185 unq 0 iso 0 dist 6.06763 8.60009 5.80135 9.74741 6.83972 8.22259 numMergedOcc 0
8 mol 185 unq 1 iso 0 dist 6.06763 8.60009 5.80135 8.11468 6.70069 12.1344 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 6.83539 8.52735 3.42123 6.77967 9.28645 12.3903 numMergedOcc 0
10 mol 225 unq 1 iso 0 dist 6.83539 8.52735 3.42123 9.26118 9.80348 9.41157 numMergedOcc 0
11 mol 225 unq 2 iso 0 dist 6.83539 5.65735 6.9328 6.77967 9.28645 9.57433 numMergedOcc 0
12 mol 225 unq 3 iso 0 dist 6.83539 5.65735 6.9328 9.26118 9.80348 13.7464 numMergedOcc 0
13 mol 225 unq 4 iso 0 dist 6.22747 8.52735 5.59654 6.77967 8.9785 12.3903 numMergedOcc 0
14 mol 225 unq 5 iso 0 dist 6.22747 5.65735 3.90226 6.77967 8.9785 9.57433 numMergedOcc 0
15 mol 225 unq 6 iso 0 dist 9.21404 8.52735 14.7084 9.27656 7.03647 17.3908 numMergedOcc 0
16 mol 225 unq 7 iso 0 dist 9.21404 5.65735 6.59432 9.27656 7.03647 10.4773 numMergedOcc 0
17 mol 254 unq 0 iso 0 dist 6.74048 8.46816 3.67192 6.07458 8.69525 11.8983 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.96682 5.77565 7.72539 10.359 9.35835 8.87546 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.96682 6.32853 8.78528 10.359 9.35835 13.5735 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 8.28068 7.17276 6.35533 8.40497 7.81415 9.90494 numMergedOcc 0
