0 mol 13 unq 0 iso 0 dist 9.1093 14.9768 8.5226 12.2759 6.54276 6.00107 numMergedOcc 0
1 mol 31 unq 0 iso 0 dist 9.70888 3.71472 9.45832 11.7802 6.02138 9.68684 numMergedOcc 0
2 mol 31 unq 1 iso 0 dist 9.70888 3.71472 9.45832 8.47797 3.71798 7.13127 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.64177 10.7486 7.9399 16.1992 9.29705 8.52567 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.92027 11.7805 7.9399 15.0073 9.29705 8.52567 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 6.08756 6.89811 7.9399 12.908 9.29705 8.52567 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 9.89076 5.6505 6.22059 12.0278 3.71228 7.1229 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 9.89076 5.6505 6.22059 11.3993 7.58448 9.36388 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.04648 10.48 8.79457 17.2359 13.549 8.90591 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 8.89997 10.8636 9.10985 13.2706 4.76518 9.78419 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 8.89997 7.713 6.23711 13.2706 4.76518 8.68706 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 5.59311 3.62675 4.80778 7.33743 3.84992 5.47256 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.22456 3.62675 6.58803 7.33743 5.68827 5.47256 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 5.7232 3.62675 6.31523 7.33743 11.5628 5.47256 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.60497 10.5184 9.65262 14.2286 6.12334 8.77098 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 8.11904 11.5571 8.00931 15.0949 7.24458 8.77098 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.21404 9.27656 7.03647 13.0929 6.04066 6.23614 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 8.28575 3.56045 5.89063 9.43467 5.92277 6.93227 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 8.28068 8.40497 7.81415 8.106 3.77125 8.47034 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 8.28068 8.40497 7.81415 14.7617 8.36144 8.57491 numMergedOcc 0
