0 mol 13 unq 0 iso 0 dist 5.4424 11.3605 7.97656 4.14738 8.05984 11.1987 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.18109 5.66535 6.87871 4.78969 8.82122 6.29127 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.58346 4.69583 6.89722 4.31731 6.4154 7.41074 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.10386 15.7901 9.68526 18.3495 9.67601 12.3103 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.10386 4.69583 7.26679 18.3495 9.67601 15.1106 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 9.10386 15.8603 9.30776 18.3495 9.67601 6.04779 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 9.66744 8.59095 6.89722 13.854 6.4154 7.41074 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 9.54857 7.54459 9.43411 8.29274 9.50209 4.32286 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 9.54857 8.58092 9.80678 8.29274 9.50209 5.498 numMergedOcc 0
9 mol 102 unq 2 iso 0 dist 9.32058 11.0171 9.43411 12.5573 9.50209 4.32286 numMergedOcc 0
10 mol 102 unq 3 iso 0 dist 9.32058 12.5781 9.80678 12.5573 9.50209 5.498 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.88979 6.09267 8.40046 15.9806 8.03243 14.085 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 6.00651 10.4619 9.84695 4.30798 6.37424 9.29726 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 6.00651 10.4619 9.84695 5.81847 6.96704 4.93735 numMergedOcc 0
14 mol 147 unq 2 iso 0 dist 6.00651 6.91778 9.18866 4.30798 6.37424 6.02355 numMergedOcc 0
15 mol 147 unq 3 iso 0 dist 6.00651 6.91778 9.18866 5.81847 6.96704 11.7284 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 6.53806 9.88413 7.02715 5.10076 5.64806 5.77564 numMergedOcc 0
17 mol 211 unq 0 iso 0 dist 7.38723 3.99353 8.63308 4.56666 9.97733 4.82752 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 6.74371 10.3288 9.93257 8.62092 8.56735 13.3667 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 8.10096 5.47434 9.5723 9.8168 6.44662 9.45057 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.30018 7.20428 5.90381 6.36534 5.70124 5.20486 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.05522 5.428 9.01085 9.46508 9.71218 7.20634 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 8.05522 4.75604 6.28512 9.46508 9.71218 5.3148 numMergedOcc 0
23 mol 264 unq 2 iso 0 dist 9.8799 11.079 9.01085 12.3455 9.71218 7.20634 numMergedOcc 0
24 mol 264 unq 3 iso 0 dist 9.8799 12.5841 6.28512 12.3455 9.71218 5.3148 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 8.78928 5.75973 8.90885 9.11005 6.8391 4.89568 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 8.78928 5.75973 8.90885 13.7838 6.06557 11.5447 numMergedOcc 0
27 mol 273 unq 2 iso 0 dist 8.78928 9.40198 9.96963 9.11005 6.8391 5.14347 numMergedOcc 0
28 mol 273 unq 3 iso 0 dist 8.78928 9.40198 9.96963 13.7838 6.06557 11.9894 numMergedOcc 0
29 mol 273 unq 4 iso 0 dist 9.12505 8.06201 7.89852 9.9463 8.41674 5.14347 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.26851 4.56913 6.00877 5.95459 5.42845 5.31116 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.14634 4.56913 8.66451 5.95459 5.62484 5.31116 numMergedOcc 0
