0 mol 4 unq 0 iso 0 dist 5.30385 11.0787 9.16617 9.60902 5.50517 7.06429 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 7.84552 3.4435 8.80127 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.3964 9.85198 8.60554 13.5873 11.3314 6.07553 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.3964 9.85198 8.60554 7.84552 3.4435 6.48457 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 7.06532 5.75653 8.23446 13.8542 12.6622 8.80127 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 7.96312 16.3577 9.52474 20.5695 13.3658 8.8018 numMergedOcc 0
6 mol 27 unq 1 iso 0 dist 7.67129 16.8196 9.52474 20.6901 13.3658 8.8018 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 12.0044 4.58085 8.77199 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.83135 18.2314 9.82915 10.1106 4.58085 8.77199 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 9.04728 3.85308 7.54568 11.9946 13.2941 8.81824 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.56978 13.2001 7.80975 15.1431 8.86956 7.69401 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.56978 13.2001 7.80975 17.3298 11.7384 6.92671 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 6.56978 6.23541 7.10378 10.2082 5.53567 7.98814 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.67326 5.81718 6.73586 7.43445 6.65893 6.16081 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.49831 10.0526 6.46461 14.8058 7.51286 6.52446 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.07946 5.23723 8.647 9.07685 6.03833 6.64326 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 5.63477 4.25942 6.03688 9.15508 9.6084 7.23959 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 8.2232 5.37531 8.07687 11.0191 6.97126 7.03546 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 6.07229 7.78332 8.07687 11.1975 6.97126 7.03546 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 8.89428 6.24198 6.68687 9.52824 6.98179 5.31041 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.73172 6.42903 6.62841 10.1037 7.27472 5.77089 numMergedOcc 0
