0 mol 58 unq 0 iso 0 dist 8.52969 11.6772 6.81627 6.10173 7.21955 7.09066 5.99959 6.75888 10.335 8.71468 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 9.0406 7.32874 6.10173 7.21955 7.12541 5.99959 6.75888 6.40841 8.71468 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.52969 4.98107 9.55426 6.10173 7.21955 5.74871 5.99959 6.75888 6.31428 8.71468 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 10.9738 6.95572 9.50382 14.2149 9.32974 10.6071 6.72712 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 5.89394 6.80709 7.4729 10.9738 6.95572 9.50382 10.2494 6.99832 5.81965 5.39745 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 5.89394 6.20561 6.82344 10.9738 6.95572 7.56363 14.2149 9.32974 13.3102 6.72712 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 5.89394 6.20561 6.82344 10.9738 6.95572 7.56363 10.2494 6.99832 9.70512 5.39745 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 10.6075 6.84011 7.436 10.1667 5.31367 12.383 8.809 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 5.87387 6.4595 7.5732 10.6075 6.84011 7.436 12.5269 8.88748 11.5084 5.79343 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 16.1752 7.78652 6.48978 17.6894 10.0989 9.60643 6.97487 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 16.1752 7.78652 6.48978 12.3708 6.01455 9.27292 6.46089 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.7605 9.44367 5.4555 9.89595 7.29758 6.27641 5.81122 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 6.64164 5.361 9.87651 10.2539 9.67741 13.0123 11.137 6.36909 15.1367 7.80054 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 6.10683 6.59025 8.04639 10.8413 7.07409 10.7636 6.32777 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 4.75774 5.9176 5.63555 10.5414 9.60512 7.98142 5.97685 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 6.96824 8.76337 7.63312 4.75774 5.9176 5.63555 13.0459 13.3389 7.37327 8.9289 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 9.25528 18.2027 9.1374 15.4597 8.90963 8.91338 11.1948 8.25067 13.2702 5.95304 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 15.4597 8.90963 9.81073 11.1948 8.25067 10.8351 5.95304 numMergedOcc 0
18 mol 181 unq 5 iso 0 dist 9.25528 11.9545 9.15386 15.4597 8.90963 9.34211 11.1948 8.25067 9.6668 5.95304 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 5.76622 8.77999 8.49529 8.15486 5.71262 8.36822 7.33225 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 9.05666 10.8223 7.00794 5.76622 8.77999 11.7523 8.15486 5.71262 12.1647 7.33225 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 9.80934 9.51597 4.98993 13.2539 7.67202 11.1518 8.08737 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 9.80934 9.51597 12.4692 13.2539 7.67202 12.6391 8.08737 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 10.0472 9.24557 14.7883 5.3853 11.0401 14.1514 8.90076 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.13194 9.05069 5.72887 10.0472 9.24557 14.7883 11.5738 8.85181 13.9989 6.87131 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.13194 9.05069 5.72887 10.0472 9.24557 14.7883 11.2976 11.9142 16.5748 8.09718 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.80166 6.77788 5.72887 13.6806 9.24557 14.7883 11.3406 11.0401 14.1514 8.90076 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 7.80166 6.77788 5.72887 13.6806 9.24557 14.7883 16.0336 8.85181 13.9989 6.87131 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 7.80166 6.77788 5.72887 13.6806 9.24557 14.7883 17.8302 11.9142 16.5748 8.09718 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.451 7.98231 8.41846 15.0738 11.6195 10.9591 8.71497 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.451 7.98231 8.81835 15.0738 11.6195 7.48005 8.71497 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 10.451 7.08526 8.81835 15.0738 5.79468 7.48005 8.71497 numMergedOcc 0
