0 mol 7 unq 0 iso 0 dist 6.8464 9.15183 5.13353 5.0893 8.41585 11.659 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.82819 5.36937 5.53425 6.03847 9.7022 9.58196 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.82819 5.99703 5.67201 6.03847 9.7022 9.04767 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 5.36937 8.82819 5.53425 6.03847 9.58196 9.7022 numMergedOcc 0
4 mol 14 unq 3 iso 0 dist 5.36937 5.99703 4.53725 6.03847 9.58196 9.04767 numMergedOcc 0
5 mol 14 unq 4 iso 0 dist 5.99703 8.82819 5.67201 6.03847 9.04767 9.7022 numMergedOcc 0
6 mol 14 unq 5 iso 0 dist 5.99703 5.36937 4.53725 6.03847 9.04767 9.58196 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.03754 9.21978 11.3575 14.0204 8.80331 19.5076 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.03754 9.21978 11.3575 13.1056 6.20293 16.882 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 8.75668 9.64871 10.6748 7.26966 9.67592 14.5656 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 8.75668 9.95118 14.7857 7.26966 9.67592 16.1919 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.4143 9.58834 5.8486 13.7926 9.78528 15.1902 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.23812 5.36012 12.0013 12.8453 9.96396 17.8376 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 7.23812 5.36012 12.0013 9.59988 6.19304 14.305 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 7.23812 5.36012 12.0013 7.80518 8.70481 11.1436 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 5.68286 9.95767 6.39947 5.73349 7.9245 13.2462 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 8.65215 9.65097 6.69637 9.17843 6.57035 10.3881 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 8.00624 8.42289 10.5871 15.4586 8.54584 17.1395 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.16358 6.48328 5.49782 10.0911 8.94367 6.37586 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.16358 6.48328 5.49782 9.66197 9.86662 9.71307 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 6.48328 9.16358 5.49782 10.0911 6.37586 8.94367 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 6.48328 9.16358 5.49782 9.66197 9.71307 9.86662 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.11407 8.95375 5.63422 7.72969 7.7366 9.774 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 8.95375 8.11407 5.63422 6.84704 8.02137 11.1804 numMergedOcc 0
24 mol 206 unq 2 iso 0 dist 8.95375 8.11407 5.63422 7.72969 9.774 7.7366 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.27093 9.02226 5.22356 10.9396 7.22101 8.65997 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.27093 9.02226 5.22356 10.9533 7.09863 10.8157 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 9.02226 8.27093 5.22356 10.9396 8.65997 7.22101 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 9.44496 7.87233 12.8967 7.41812 8.04248 11.2141 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 7.87233 9.44496 12.8967 15.6279 9.81562 15.1853 numMergedOcc 0
30 mol 236 unq 2 iso 0 dist 7.87233 9.44496 12.8967 13.7246 7.68742 13.5269 numMergedOcc 0
31 mol 236 unq 3 iso 0 dist 7.87233 9.44496 12.8967 10.5269 6.27581 15.7308 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 8.98788 9.27041 10.8143 9.01779 9.56569 16.948 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 7.69358 7.57187 4.26007 9.80642 6.97229 10.9661 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 9.77784 5.00128 10.1239 5.09097 7.73141 8.43057 numMergedOcc 0
35 mol 261 unq 1 iso 0 dist 5.00128 9.77784 10.1239 9.40373 8.02547 14.2688 numMergedOcc 0
36 mol 261 unq 2 iso 0 dist 5.00128 9.77784 10.1239 5.09097 8.43057 7.73141 numMergedOcc 0
37 mol 261 unq 3 iso 0 dist 5.00128 9.77784 10.1239 4.86901 6.05727 10.0703 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 5.41639 7.96485 5.51836 8.26589 6.53701 6.0664 numMergedOcc 0
39 mol 280 unq 1 iso 0 dist 7.96485 5.41639 5.51836 8.26589 6.0664 6.53701 numMergedOcc 0
