0 mol 11 unq 0 iso 0 dist 9.74528 15.0022 6.83186 20.1514 10.7048 6.58046 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.65754 10.0962 8.25818 12.6611 13.5399 8.23075 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.43913 5.39197 8.65524 5.36645 3.63758 7.15542 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.43913 9.53255 8.96151 5.36645 3.63758 8.89047 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 5.43913 7.75132 9.02535 5.36645 3.63758 8.89003 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.26877 5.39197 8.22812 5.36645 6.88863 7.15542 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.26877 9.53255 4.22002 5.36645 6.88863 8.89047 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.26877 7.75132 5.77855 5.36645 6.88863 8.89003 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.99434 12.2756 8.22812 14.0677 6.88863 7.15542 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.99434 8.12843 4.22002 14.0677 6.88863 8.89047 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.99434 8.16676 5.77855 14.0677 6.88863 8.89003 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 6.11101 7.38398 8.61143 13.2707 9.6123 8.97888 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.75543 6.51961 4.15789 5.49623 3.83059 5.25027 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 7.75543 4.08459 4.808 5.49623 3.83059 4.37025 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 4.2253 8.65653 6.20144 11.8934 8.95695 4.37025 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 9.45257 7.22521 6.5816 12.6783 13.6536 7.92856 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 8.11813 6.42834 4.91212 14.2119 6.34994 9.06601 numMergedOcc 0
17 mol 111 unq 1 iso 0 dist 8.11813 15.1151 9.34782 14.2119 6.34994 5.98809 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.99012 11.9534 4.3855 12.703 6.75249 8.99891 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 5.33772 5.08025 4.3855 7.5984 6.75249 8.99891 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.58346 8.44261 6.80296 11.1422 4.46135 4.51255 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 9.58346 8.44261 6.80296 7.10166 3.56132 6.23183 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 9.60549 13.8891 6.80296 10.4092 4.46135 4.51255 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 9.60549 13.8891 6.80296 9.66896 3.56132 6.23183 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 7.78392 13.4414 9.54529 15.4632 8.68462 8.40074 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 6.33954 6.51471 5.58222 9.9381 6.73995 4.80903 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.48382 9.52953 9.9965 17.0541 18.7228 9.29666 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 4.1545 5.11865 7.98956 9.84188 13.7583 9.54359 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 4.1545 5.11865 7.98956 8.35794 11.8607 5.69112 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 4.25172 5.11865 5.86185 9.84188 13.6433 9.54359 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 4.25172 5.11865 5.86185 8.35794 10.9137 5.69112 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 8.17436 9.08224 4.68668 10.9453 3.65199 5.30118 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 8.17436 9.08224 4.68668 10.3905 5.70614 8.98698 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.17436 9.08224 4.68668 10.9453 3.65199 5.30118 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 8.17436 9.08224 4.68668 10.3905 5.70614 8.98698 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 8.17436 9.08224 4.68668 10.9453 3.65199 5.30118 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 8.17436 9.08224 4.68668 10.3905 5.70614 8.98698 numMergedOcc 0
