0 mol 18 unq 0 iso 0 dist 5.03976 10.3745 8.80193 8.35401 6.44368 7.60512 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.77643 4.4218 8.90835 5.51172 4.22398 6.88052 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.41523 11.098 6.42834 15.3761 9.95354 6.21128 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 8.26586 4.39445 7.58739 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.13638 4.35705 7.6481 9.76234 10.7557 9.01564 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.13638 4.35705 7.6481 10.1165 9.1083 7.11065 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.63008 5.3464 7.46994 12.3925 4.50442 8.60069 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 8.07958 6.19026 7.46994 10.4994 4.50442 8.60069 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.11013 12.6241 9.63599 8.52697 4.1859 9.77084 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 7.11013 12.6241 9.63599 9.9818 8.68431 6.5551 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 6.24296 7.2898 5.05893 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.46478 4.32784 6.05495 6.83218 4.13305 5.71866 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 5.89919 6.06511 6.98158 11.8284 7.201 9.59437 numMergedOcc 0
13 mol 128 unq 1 iso 0 dist 8.04178 7.34304 6.98158 10.3775 7.201 9.59437 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.96294 4.46354 5.52683 5.24228 6.37052 7.58337 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 9.76389 6.74216 5.52683 11.3851 6.37052 7.58337 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 7.6461 9.90045 5.26989 10.7382 4.22522 5.29898 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 7.1093 4.34943 5.26989 4.54218 4.22522 5.29898 numMergedOcc 0
18 mol 141 unq 4 iso 0 dist 7.36421 4.50791 5.26989 8.36316 4.22522 5.29898 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 9.39237 4.43511 6.50043 9.48545 5.93846 9.23136 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.22583 6.15536 5.97685 12.2912 4.48306 8.12266 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.22583 6.15536 5.97685 12.82 10.2172 9.43306 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 8.22583 6.15536 5.97685 9.19831 10.9122 8.59681 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 6.62037 4.19412 5.97685 7.83476 4.48306 8.12266 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 6.62037 4.19412 5.97685 12.7598 10.2172 9.43306 numMergedOcc 0
25 mol 181 unq 5 iso 0 dist 6.62037 4.19412 5.97685 12.7707 10.9122 8.59681 numMergedOcc 0
26 mol 181 unq 6 iso 0 dist 6.21461 4.19412 8.9289 7.83476 4.88823 8.12266 numMergedOcc 0
27 mol 181 unq 7 iso 0 dist 6.21461 4.19412 8.9289 12.7598 14.2334 9.43306 numMergedOcc 0
28 mol 181 unq 8 iso 0 dist 6.21461 4.19412 8.9289 12.7707 16.1796 8.59681 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 7.79898 9.28045 7.31773 12.1601 4.47008 8.97952 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 13.8387 6.87619 8.6233 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 14.707 6.87619 8.6233 numMergedOcc 0
