0 mol 4 unq 0 iso 0 dist 8.24634 6.29581 7.35416 7.06429 7.14866 7.22113 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.16617 6.29581 6.42755 7.06429 5.50517 7.22113 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 18.1591 13.0142 8.67928 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 7.51452 13.457 6.3253 7.16149 3.61632 6.86736 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 7.51452 11.3821 5.80568 7.16149 3.61632 8.17383 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 6.09764 8.96335 4.74809 9.4228 7.3057 8.67928 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 6.09764 6.05944 7.43882 11.571 9.33424 6.86736 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 6.09764 7.46656 7.31198 11.571 9.33424 8.17383 numMergedOcc 0
8 mol 20 unq 6 iso 0 dist 9.20198 8.96335 5.86181 9.4228 13.0142 8.67928 numMergedOcc 0
9 mol 20 unq 7 iso 0 dist 9.20198 6.05944 6.3253 11.571 3.61632 6.86736 numMergedOcc 0
10 mol 20 unq 8 iso 0 dist 9.20198 7.46656 5.80568 11.571 3.61632 8.17383 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 9.30539 4.57085 8.66165 13.2518 11.0296 9.44289 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 7.80975 5.42531 9.5057 6.92671 11.7384 8.4705 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 7.80975 4.86592 5.75014 7.69401 8.86956 9.97663 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 7.10378 8.4128 9.5057 13.3653 11.7384 8.4705 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 7.10378 7.96533 5.75014 15.2628 8.86956 9.97663 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.16242 12.131 8.95662 10.6168 5.21958 8.966 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.87634 14.8102 8.95662 8.75049 5.21958 8.966 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.69991 7.41674 6.40575 11.5755 5.51309 7.01507 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.23142 9.87376 6.40575 10.9803 5.51309 7.01507 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 9.94764 14.9876 6.40575 12.934 5.51309 7.01507 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 17.5872 9.23265 6.73995 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 9.61462 11.5561 5.25109 15.4307 7.86006 8.619 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 6.59025 7.16549 5.94379 9.33101 5.96277 8.84599 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 6.42735 8.08596 7.54099 10.7119 5.9935 9.02161 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 6.42735 8.08596 7.54099 7.90333 8.11291 8.38137 numMergedOcc 0
26 mol 192 unq 0 iso 0 dist 8.77999 12.717 6.60053 15.5463 7.05918 5.47004 numMergedOcc 0
27 mol 192 unq 1 iso 0 dist 8.77999 14.8459 9.36796 15.5463 7.05918 7.36742 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 11.1543 6.25229 6.02641 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 10.8158 6.25229 6.02641 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 9.20822 10.6582 8.10254 13.0367 5.31202 7.3216 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 9.85289 5.29529 6.88827 8.98154 10.4158 9.71673 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 9.76787 6.19336 6.73712 11.834 4.71431 8.83569 numMergedOcc 0
