0 mol 10 unq 0 iso 0 dist 9.31452 6.50444 4.75564 9.36515 9.83425 6.02543 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 9.90986 8.90517 14.6525 12.3309 6.38243 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.66843 8.69574 6.3858 5.9084 11.1321 7.72462 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.96066 7.58743 10.8503 6.32618 9.25917 5.70907 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.04448 5.33961 10.3972 3.92844 8.70888 6.83746 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.04448 5.33961 10.3972 8.99706 15.7463 9.14707 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 8.51507 9.87191 6.70718 13.0273 15.2319 9.31005 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 8.22285 9.21528 6.70718 13.1111 15.2319 9.31005 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.5081 5.06116 5.32843 7.86748 13.8132 9.82982 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.52322 6.52441 11.5572 9.07895 16.8117 8.31881 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 5.83646 7.13727 4.48114 12.1653 9.91577 6.53286 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 9.87224 7.63381 8.15025 9.43815 16.2679 8.88763 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 9.87224 7.63381 8.15025 9.79222 12.653 6.43209 numMergedOcc 0
13 mol 239 unq 2 iso 0 dist 9.87224 7.63381 8.15025 15.2256 13.6155 8.48769 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 6.43775 9.13546 8.52745 5.7394 9.54836 6.02757 numMergedOcc 0
15 mol 264 unq 1 iso 0 dist 6.43775 8.7365 4.96942 5.7394 9.54836 8.67231 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.67032 8.41945 5.03747 4.49604 7.84195 5.8304 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.34154 7.59142 7.51644 6.06247 9.82295 5.81528 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 9.07176 7.59142 3.75346 6.06247 9.26096 5.81528 numMergedOcc 0
19 mol 279 unq 3 iso 0 dist 5.90456 7.59142 5.03816 6.06247 5.65882 5.81528 numMergedOcc 0
