0 mol 0 unq 0 iso 0 dist 9.23213 8.81979 9.14029 7.40865 9.30151 6.11501 12.9149 8.66548 16.8764 16.5244 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 6.33889 5.80437 9.62394 4.45625 6.0397 5.84314 9.71516 9.81658 10.9352 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 6.85412 5.80437 9.62394 6.0397 4.45625 5.84314 9.81658 9.71516 10.9352 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 8.43904 9.80862 4.84196 6.73586 7.39626 4.95807 4.39676 6.13374 9.56225 8.67537 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 7.66168 9.12581 6.09983 7.90048 6.08911 10.0581 11.1455 8.9677 14.1282 11.6521 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 7.66168 9.12581 6.09983 9.99802 11.562 7.20197 11.1455 8.9677 14.1282 19.2873 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 9.38946 7.36102 5.68272 7.92304 9.50478 5.50045 4.91785 7.29911 5.36254 9.16358 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 7.39644 7.70572 9.42764 6.53347 6.40403 4.40321 7.10286 5.36254 12.6321 9.24038 numMergedOcc 0
8 mol 155 unq 2 iso 0 dist 7.36102 9.38946 5.68272 7.92304 5.50045 9.50478 4.91785 5.36254 7.29911 9.16358 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 5.48258 6.15769 7.46053 8.29382 4.79043 6.56076 4.66791 7.10155 9.48418 11.2491 numMergedOcc 0
10 mol 194 unq 1 iso 0 dist 5.48258 6.15769 7.46053 8.29382 4.79043 6.56076 5.97754 6.11135 6.54481 8.64056 numMergedOcc 0
11 mol 194 unq 2 iso 0 dist 5.48258 6.15769 7.46053 6.72379 4.26755 10.0315 4.66791 7.10155 9.48418 9.00322 numMergedOcc 0
12 mol 194 unq 3 iso 0 dist 5.48258 6.15769 7.46053 6.72379 4.26755 10.0315 5.97754 6.11135 6.54481 9.94082 numMergedOcc 0
13 mol 194 unq 4 iso 0 dist 6.15769 5.48258 7.46053 8.29382 6.56076 4.79043 5.97754 6.54481 6.11135 8.64056 numMergedOcc 0
14 mol 194 unq 5 iso 0 dist 6.15769 5.48258 7.46053 6.72379 10.0315 4.26755 5.97754 6.54481 6.11135 9.94082 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.36117 6.77578 5.42587 9.26504 4.4994 5.99784 6.04871 5.87439 8.18059 6.22742 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 6.77578 8.36117 5.42587 9.26504 5.99784 4.4994 6.04871 8.18059 5.87439 6.22742 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 8.99696 7.85058 14.5931 7.50013 11.1666 5.53129 17.0276 9.27218 20.5432 17.3389 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 8.99696 7.85058 14.5931 5.81233 13.3562 4.38296 17.0276 9.27218 20.5432 20.8891 numMergedOcc 0
19 mol 197 unq 2 iso 0 dist 8.99696 7.85058 14.5931 6.92924 4.59269 11.3267 17.0276 9.27218 20.5432 10.228 numMergedOcc 0
20 mol 197 unq 3 iso 0 dist 8.99696 7.85058 14.5931 7.14306 12.9766 8.05362 17.0276 9.27218 20.5432 17.9946 numMergedOcc 0
21 mol 197 unq 4 iso 0 dist 8.99696 9.96638 8.44549 7.50013 11.1666 6.46195 17.0276 9.27218 11.4804 17.3389 numMergedOcc 0
22 mol 197 unq 5 iso 0 dist 8.99696 9.96638 8.44549 5.81233 13.3562 11.0356 17.0276 9.27218 11.4804 20.8891 numMergedOcc 0
23 mol 197 unq 6 iso 0 dist 8.99696 9.96638 8.44549 6.92924 4.59269 6.31157 17.0276 9.27218 11.4804 10.228 numMergedOcc 0
24 mol 197 unq 7 iso 0 dist 8.99696 9.96638 8.44549 7.14306 12.9766 11.5276 17.0276 9.27218 11.4804 17.9946 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 6.0965 9.59129 6.04429 7.37798 6.17282 12.1116 10.1881 8.65196 5.461 14.4091 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 6.0965 9.59129 6.04429 7.73322 10.5013 9.93085 10.1881 8.65196 5.461 11.7032 numMergedOcc 0
27 mol 213 unq 2 iso 0 dist 9.59129 6.0965 6.04429 7.37798 12.1116 6.17282 10.1881 5.461 8.65196 14.4091 numMergedOcc 0
28 mol 213 unq 3 iso 0 dist 9.59129 6.0965 6.04429 7.73322 9.93085 10.5013 10.1881 5.461 8.65196 11.7032 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 7.17547 7.18041 9.17818 6.1951 7.21048 6.16211 15.6802 8.61306 15.505 14.4908 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 8.09066 8.14172 10.9258 7.02333 11.5793 4.38002 6.13368 8.69525 13.8875 12.1725 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 7.2766 6.77463 10.9258 8.67864 11.5793 4.38002 10.0605 8.69525 13.8875 12.1725 numMergedOcc 0
