0 mol 11 unq 0 iso 0 dist 8.3846 5.15125 7.56871 4.13124 5.67087 6.03873 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.57144 9.05396 9.33027 11.1115 9.26362 9.87332 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 7.57144 9.05396 9.33027 4.96488 7.05327 6.35031 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 7.57144 9.98702 7.32707 11.1115 9.26362 3.9873 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.57144 9.98702 7.32707 4.96488 7.05327 5.50427 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.57144 7.12079 7.90574 11.1115 9.26362 4.5357 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 7.57144 7.12079 7.90574 4.96488 7.05327 3.54863 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.95084 9.48836 8.58829 13.0811 7.08628 6.34854 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 7.8518 5.2902 8.58829 5.91316 7.08628 6.34854 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 5.45575 13.4649 9.43355 12.2061 7.92479 3.68327 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 5.45575 13.4649 9.43355 11.2603 7.86646 9.13939 numMergedOcc 0
11 mol 59 unq 2 iso 0 dist 5.45575 5.15625 7.9327 12.2061 7.92479 15.3578 numMergedOcc 0
12 mol 59 unq 3 iso 0 dist 5.45575 5.15625 7.9327 11.2603 7.86646 10.3023 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.4154 11.5412 7.10439 8.69689 7.78587 7.98468 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.76708 7.21296 6.72712 4.76164 5.32369 3.87825 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 4.9128 5.67736 9.10794 4.88926 7.75479 8.11413 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 7.40408 11.6003 8.08764 12.64 5.50017 7.18773 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 6.77395 7.64962 8.08764 10.3384 5.50017 7.18773 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 5.73804 11.6736 7.02079 10.3996 8.08777 5.88357 numMergedOcc 0
19 mol 239 unq 3 iso 0 dist 5.73804 5.20078 5.88802 10.3996 8.08777 9.24057 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 8.33004 12.3614 9.20749 15.6901 9.85661 6.97575 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 5.42845 10.6481 9.20749 13.8247 9.85661 6.97575 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 5.62484 7.09841 9.20749 9.90818 9.85661 6.97575 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.82457 10.9273 8.87606 5.33113 9.33755 8.56972 numMergedOcc 0
24 mol 294 unq 1 iso 0 dist 7.82457 10.9273 8.87606 9.32362 6.25334 9.32087 numMergedOcc 0
