0 mol 10 unq 0 iso 0 dist 6.02543 9.61828 6.18431 11.1583 6.77807 7.60549 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.24948 6.99746 5.80953 13.3652 7.7447 9.63925 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.38243 5.66783 6.81793 12.4814 8.97754 12.5394 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 7.56029 4.85777 6.21128 9.76552 7.31718 6.67385 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 7.56029 4.85777 6.21128 12.6338 5.47447 10.8632 numMergedOcc 0
5 mol 41 unq 2 iso 0 dist 7.56029 4.02147 9.57024 9.76552 7.31718 9.22096 numMergedOcc 0
6 mol 41 unq 3 iso 0 dist 7.56029 4.02147 9.57024 12.6338 5.47447 13.6273 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.04168 10.6438 6.5551 5.47798 4.78333 5.84075 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.04168 10.6438 6.5551 7.86805 4.74254 5.41884 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.8435 15.8624 9.19977 12.5638 6.67678 5.64998 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.8435 15.8624 9.19977 12.4215 7.24956 4.76749 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.8435 15.8624 9.19977 5.99863 8.28591 15.6931 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.8435 15.8624 9.19977 6.15015 9.40687 14.8662 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 7.8435 14.7862 7.28831 12.5638 6.67678 4.34681 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 7.8435 14.7862 7.28831 12.4215 7.24956 5.73248 numMergedOcc 0
15 mol 93 unq 6 iso 0 dist 7.8435 14.7862 7.28831 5.99863 8.28591 13.5809 numMergedOcc 0
16 mol 93 unq 7 iso 0 dist 7.8435 14.7862 7.28831 6.15015 9.40687 14.149 numMergedOcc 0
17 mol 93 unq 8 iso 0 dist 7.8435 9.42916 9.71411 12.5638 6.67678 9.11796 numMergedOcc 0
18 mol 93 unq 9 iso 0 dist 7.8435 9.42916 9.71411 12.4215 7.24956 7.24672 numMergedOcc 0
19 mol 93 unq 10 iso 0 dist 7.8435 9.42916 9.71411 5.99863 8.28591 10.6039 numMergedOcc 0
20 mol 93 unq 11 iso 0 dist 7.8435 9.42916 9.71411 6.15015 9.40687 6.48338 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 6.78801 5.66194 7.75314 9.93041 8.49847 4.94367 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 8.999 11.6944 7.47964 11.6193 9.68512 8.77204 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.31881 6.16503 6.88127 9.09659 9.34653 13.2309 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 5.53324 5.92931 4.19371 7.82899 4.45769 3.7326 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 5.53324 5.92931 4.19371 10.0237 5.89939 7.29209 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.21997 4.23527 5.31416 6.00226 9.59928 6.28944 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 9.39658 17.2823 8.09509 10.4138 7.62991 11.8619 numMergedOcc 0
28 mol 252 unq 1 iso 0 dist 9.39658 17.2823 8.09509 19.1465 9.81261 3.99887 numMergedOcc 0
29 mol 252 unq 2 iso 0 dist 5.9974 12.0545 8.09509 6.33781 7.62991 11.8619 numMergedOcc 0
30 mol 252 unq 3 iso 0 dist 5.9974 12.0545 8.09509 14.8966 9.81261 3.99887 numMergedOcc 0
31 mol 260 unq 0 iso 0 dist 9.50634 7.16782 9.31888 4.05076 7.49606 7.28821 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.20485 8.62248 9.63518 5.48178 9.83672 13.8751 numMergedOcc 0
