0 mol 11 unq 0 iso 0 dist 9.98578 9.89482 4.1001 10.5542 8.22997 10.7263 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.19061 8.48302 4.1001 9.79813 8.22997 10.7263 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.14139 9.65468 9.5947 12.577 8.40993 14.8191 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 9.14139 9.13662 8.68636 12.577 8.40993 14.8156 numMergedOcc 0
4 mol 11 unq 4 iso 0 dist 6.91808 6.77845 8.68636 9.53437 8.40993 14.8156 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 6.30807 5.90481 7.5925 4.38332 8.51496 10.0692 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.87397 6.77145 4.83453 5.98301 9.06974 12.2314 numMergedOcc 0
7 mol 55 unq 0 iso 0 dist 5.7638 8.55679 5.41839 6.96815 6.66861 6.72084 numMergedOcc 0
8 mol 55 unq 1 iso 0 dist 8.55679 5.7638 5.41839 6.96815 6.72084 6.66861 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.61468 6.27186 3.93133 14.6435 9.4486 10.079 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 16.0131 7.4518 22.7533 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 8.84466 9.2948 16.5604 11.7408 9.1687 14.5196 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.79412 8.65822 4.01481 9.68856 9.16592 11.8465 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.99121 6.30982 5.11161 10.6956 6.66022 11.2341 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.99121 6.12404 10.7282 10.6956 6.66022 15.5066 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 9.35162 8.54297 6.8513 10.2009 9.49761 10.733 numMergedOcc 0
16 mol 128 unq 1 iso 0 dist 9.35162 8.54297 6.8513 7.34304 6.03154 10.7473 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.22456 5.59311 5.01776 8.11294 9.04845 9.58772 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.22456 5.7232 12.3753 8.11294 9.04845 6.72323 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 5.7232 5.59311 10.5425 8.11294 6.72323 9.58772 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 5.7232 9.22456 12.3753 8.11294 6.72323 9.04845 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 8.94464 8.63713 11.4167 6.15536 9.07527 10.9985 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.63713 8.94464 11.4167 10.5886 8.63119 10.547 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 7.91999 8.61953 5.3979 5.9589 7.40027 10.5245 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.92025 4.43243 5.26871 12.8555 8.37813 10.483 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 5.92025 4.43243 5.26871 6.74257 9.25988 9.66937 numMergedOcc 0
26 mol 236 unq 2 iso 0 dist 5.92025 9.04819 8.96137 12.8555 8.37813 17.0201 numMergedOcc 0
27 mol 236 unq 3 iso 0 dist 5.92025 9.04819 8.96137 6.74257 9.25988 12.7422 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.6856 9.98868 4.84513 6.60614 9.58735 8.12414 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 9.98868 8.6856 4.84513 6.60614 8.12414 9.58735 numMergedOcc 0
