0 mol 17 unq 0 iso 0 dist 9.38298 8.0295 6.64199 15.3249 9.13617 8.44037 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.84559 4.12287 6.64199 8.7483 9.13617 8.44037 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.66828 4.50098 5.42412 9.14389 4.81564 6.14086 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 5.66828 4.50098 5.42412 8.74311 6.18197 6.76158 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 5.66828 8.14695 8.09862 9.14389 4.81564 6.31487 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 5.66828 8.14695 8.09862 8.74311 6.18197 7.423 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 5.66828 9.01546 8.89114 9.14389 4.81564 7.07851 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 5.66828 9.01546 8.89114 8.74311 6.18197 5.89257 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 9.63542 3.24351 7.72377 7.41509 5.64731 7.52145 numMergedOcc 0
9 mol 32 unq 1 iso 0 dist 9.63542 3.24351 7.72377 10.1217 12.3204 8.35776 numMergedOcc 0
10 mol 46 unq 0 iso 0 dist 6.64844 8.59614 7.44805 5.41906 4.50032 7.12713 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 9.56769 6.84869 8.988 6.61052 7.40375 4.74574 numMergedOcc 0
12 mol 62 unq 0 iso 0 dist 4.93315 4.85685 8.96898 9.36203 10.5572 8.1717 numMergedOcc 0
13 mol 67 unq 0 iso 0 dist 7.72671 5.88789 9.10001 11.146 4.85065 9.88566 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 9.49371 15.9372 9.50939 13.6551 4.77004 8.26805 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 5.05941 14.3512 9.50939 8.65864 4.77004 8.26805 numMergedOcc 0
16 mol 76 unq 2 iso 0 dist 9.66942 17.8535 9.50939 13.896 4.77004 8.26805 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 8.46957 15.3946 9.58166 23.2367 17.4759 9.48604 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 8.40574 12.0254 8.18584 11.5991 4.64546 6.08242 numMergedOcc 0
19 mol 135 unq 1 iso 0 dist 8.40574 12.0254 8.18584 14.756 7.61563 5.60595 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 6.35449 4.62104 6.38786 5.66981 5.57673 5.24882 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 9.94668 13.7953 8.82481 16.0582 6.94063 6.80203 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 9.94668 13.7953 8.82481 10.7244 4.53761 8.00826 numMergedOcc 0
23 mol 211 unq 0 iso 0 dist 8.96942 12.8384 7.4575 9.05403 4.83833 7.78316 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.621 3.64687 6.35772 5.73488 5.97855 6.15671 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 7.95378 5.9338 4.44509 11.5889 6.65459 9.76929 numMergedOcc 0
