0 mol 18 unq 0 iso 0 dist 9.2978 4.84965 6.41856 13.9508 6.30737 9.7728 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 13.9508 15.8027 9.7728 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 7.48808 5.24786 7.88429 10.7261 5.90858 8.07673 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 6.67213 5.44727 8.99612 7.01107 4.63184 6.64146 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.27156 11.3515 9.58156 19.2282 13.7909 9.1926 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.07365 4.90339 9.17862 6.54247 4.23405 7.97266 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.07365 12.9365 8.27456 22.6789 17.0418 9.98215 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 6.86713 11.5826 8.13273 10.575 4.73066 4.81841 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 6.21351 7.84409 6.19867 6.93203 6.08084 7.22615 numMergedOcc 0
9 mol 96 unq 1 iso 0 dist 6.21351 12.0865 8.35452 16.4826 11.6473 6.02608 numMergedOcc 0
10 mol 96 unq 2 iso 0 dist 9.93617 5.68919 6.19867 8.68256 6.08084 7.22615 numMergedOcc 0
11 mol 96 unq 3 iso 0 dist 9.93617 14.5513 8.35452 17.0143 11.6473 6.02608 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 6.34542 10.1386 7.42431 9.83758 6.34994 6.33923 numMergedOcc 0
13 mol 111 unq 1 iso 0 dist 6.34542 10.1386 7.42431 13.9689 8.26306 9.9801 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 7.2443 8.94648 9.57352 6.36631 6.54263 9.44 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 7.2443 8.94648 9.57352 6.24308 3.92558 8.47634 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 8.0889 5.61274 5.56598 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 5.06555 9.04066 8.14799 8.0889 5.61274 5.39792 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 5.06555 9.04066 8.14799 8.34958 3.35803 8.44206 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 11.7708 6.12885 6.01995 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.52413 15.6548 7.09426 8.86574 4.04122 8.78251 numMergedOcc 0
21 mol 213 unq 0 iso 0 dist 9.73691 9.92307 8.48081 10.8894 3.62097 5.90026 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.151 8.68474 6.70123 13.839 6.7745 9.50155 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 8.33977 13.3428 6.70123 11.0298 6.7745 9.50155 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 9.27716 5.25454 7.04661 7.8046 12.8596 7.43535 numMergedOcc 0
