0 mol 11 unq 0 iso 0 dist 5.47299 10.0791 6.84216 13.6972 9.68636 4.61088 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.64504 7.64353 7.7312 6.41045 4.44441 4.51865 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.64504 7.64353 7.7312 13.3505 10.0411 6.864 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.70325 5.71065 7.98005 13.7149 12.5438 8.34347 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 5.68794 9.83264 9.99939 18.7311 19.1023 9.24927 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.9964 13.7592 9.99939 22.3964 19.1023 9.24927 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.57978 5.39546 7.39848 10.0804 9.86609 8.80331 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 8.42742 4.33476 8.27463 10.4437 5.84319 7.58835 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.33736 9.07666 9.23438 10.9921 4.59417 6.86465 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 9.33736 5.93193 7.17488 10.9921 4.59417 6.35756 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.33736 5.72191 6.79356 11.8851 5.87468 6.64012 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 7.50229 5.73349 8.97888 5.68286 3.68023 7.9245 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.00314 6.53819 9.01812 9.67557 8.37717 7.95579 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 6.81144 9.15453 8.04118 10.1001 4.05822 9.2313 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 6.81144 9.15453 8.04118 9.78089 4.7832 5.31024 numMergedOcc 0
15 mol 142 unq 2 iso 0 dist 6.81144 9.78965 8.39035 10.1001 4.05822 7.73169 numMergedOcc 0
16 mol 142 unq 3 iso 0 dist 6.81144 9.78965 8.39035 9.78089 4.7832 7.26382 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 6.38786 9.02772 8.99891 9.35213 9.14188 5.99315 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.52131 14.5814 7.59457 13.0805 4.73288 5.87555 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.52131 14.5814 7.59457 11.9198 4.70284 8.87437 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.52131 16.8649 9.00072 20.6147 12.2243 8.56324 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 8.52131 16.8649 9.00072 13.0805 4.73288 6.70283 numMergedOcc 0
22 mol 152 unq 4 iso 0 dist 8.52131 16.8649 9.00072 11.9198 4.70284 7.16148 numMergedOcc 0
23 mol 152 unq 5 iso 0 dist 8.52131 12.692 7.55419 13.0805 4.73288 8.67331 numMergedOcc 0
24 mol 152 unq 6 iso 0 dist 8.52131 12.692 7.55419 11.9198 4.70284 8.05741 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.21286 13.5618 7.13783 17.6946 13.3822 7.26832 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 9.49634 11.8163 4.80903 11.428 5.08421 8.29103 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 6.90511 7.48984 5.4557 8.23381 4.02333 6.97229 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 7.14871 4.25662 8.24356 12.1908 11.4108 8.45658 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.07744 7.94155 5.69112 4.81916 7.75371 9.7748 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 8.42892 13.5116 5.69112 8.71406 7.75371 9.7748 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 8.90967 7.72525 5.69112 15.9035 7.75371 9.7748 numMergedOcc 0
32 mol 277 unq 3 iso 0 dist 6.40861 7.72525 7.2091 15.9035 11.3546 9.7748 numMergedOcc 0
