0 mol 0 unq 0 iso 0 dist 7.96742 5.55156 11.962 11.6051 19.3906 9.07223 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.24206 9.5614 13.3337 11.6505 10.533 9.07223 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.19218 9.5614 6.83587 11.6505 12.1559 9.07223 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19397 5.55156 6.83587 11.6051 12.1559 9.07223 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 10.8958 10.2812 6.28925 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 8.14952 5.83658 4.92824 6.32562 10.1627 7.60712 numMergedOcc 0
6 mol 17 unq 0 iso 0 dist 9.26685 9.81769 14.8418 11.4582 19.8205 8.07518 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 7.83595 8.37503 6.40527 5.33828 9.07692 6.95343 numMergedOcc 0
8 mol 51 unq 0 iso 0 dist 7.95419 9.06397 5.27155 10.6512 8.94858 7.52921 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 7.00677 6.09782 5.29727 5.55066 9.81224 5.63261 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 6.30194 5.2774 15.9568 12.6162 9.79143 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.27355 6.30194 5.44275 15.9568 8.91833 9.79143 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.60363 6.30194 8.0624 15.9568 13.2626 9.79143 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 4.70598 12.9874 8.01624 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 9.10245 8.91602 11.6194 4.70598 12.9874 7.83004 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.64551 9.25163 8.44462 12.4782 11.1737 9.30559 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.6582 5.97805 12.6081 5.49451 13.6942 6.05583 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.17734 5.97805 5.26273 5.49451 5.80662 6.05583 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 7.60912 8.55431 8.50143 7.40038 11.7844 6.4829 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 11.7576 10.9662 8.03727 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 6.21546 6.73365 5.50014 11.7576 13.3893 8.03727 numMergedOcc 0
21 mol 175 unq 2 iso 0 dist 6.03184 6.73365 7.28617 11.7576 12.875 8.03727 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.93927 5.79186 11.2111 9.64344 14.5662 4.90825 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 8.93927 5.79186 11.2111 6.16807 8.13196 6.20349 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 11.8205 11.0728 9.08674 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 9.55005 11.0728 9.08674 numMergedOcc 0
26 mol 210 unq 2 iso 0 dist 8.60412 8.07523 4.62641 11.8205 11.9802 9.08674 numMergedOcc 0
27 mol 210 unq 3 iso 0 dist 7.05535 7.56882 4.62641 9.55005 11.9802 9.08674 numMergedOcc 0
28 mol 219 unq 0 iso 0 dist 9.09462 9.68515 8.99881 13.3951 13.6165 5.40597 numMergedOcc 0
29 mol 219 unq 1 iso 0 dist 4.67452 8.09769 10.0509 6.83308 9.59958 5.40597 numMergedOcc 0
30 mol 219 unq 2 iso 0 dist 4.67452 7.24832 5.48556 6.83308 9.59958 7.66784 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 6.02175 7.63624 5.31963 numMergedOcc 0
32 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 4.76236 7.63624 5.31963 numMergedOcc 0
33 mol 230 unq 2 iso 0 dist 7.43793 9.30906 5.4427 4.76236 7.63624 7.85632 numMergedOcc 0
34 mol 230 unq 3 iso 0 dist 8.4739 9.12305 9.94041 4.76236 9.95611 5.31963 numMergedOcc 0
35 mol 230 unq 4 iso 0 dist 8.4739 9.30906 5.52842 4.76236 9.95611 7.85632 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 8.44407 14.0909 5.45139 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 7.02503 8.40961 8.10688 5.5176 11.4367 8.65577 numMergedOcc 0
38 mol 280 unq 1 iso 0 dist 9.18164 9.42213 8.10688 6.48149 11.4367 8.65577 numMergedOcc 0
