0 mol 7 unq 0 iso 0 dist 7.38748 7.15287 6.8464 6.22892 5.0893 8.41585 12.916 9.85147 5.99972 12.0193 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.85737 6.88453 8.0319 13.0211 11.4109 6.86014 12.0678 10.6504 7.33768 4.32034 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.85737 6.88453 8.0319 13.0211 11.4109 6.86014 14.3328 15.919 9.01567 8.67951 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.85737 6.88453 8.0319 13.0211 11.4109 6.86014 13.3947 15.2997 7.29868 8.52463 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 22.5146 14.0204 8.80331 19.6764 11.3298 8.95682 6.18002 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 19.6842 13.1056 6.20293 19.6764 11.3298 8.95682 8.38399 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 7.21995 4.80528 8.03754 12.8866 14.0204 8.80331 13.1284 11.3298 8.95682 6.18002 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 10.6604 13.1056 6.20293 13.1284 11.3298 8.95682 8.38399 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.15664 6.09495 7.11695 10.869 14.4144 9.33898 8.96747 4.92054 8.91313 17.5889 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.15664 6.09495 7.11695 10.869 14.4144 9.33898 10.6424 6.7197 8.16392 10.8304 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 8.15664 6.09495 7.11695 14.4679 9.54167 9.64443 8.96747 4.92054 8.91313 13.3881 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 8.15664 6.09495 7.11695 14.4679 9.54167 9.64443 10.6424 6.7197 8.16392 5.90097 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 7.1859 4.51951 8.65215 10.0014 9.17843 6.57035 7.73086 4.93063 6.98314 5.53055 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.52061 5.99695 8.59695 10.482 6.13737 5.83384 7.32407 7.72162 9.36851 10.7293 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.52061 5.99695 8.59695 10.482 6.13737 5.83384 6.48695 7.95267 4.97175 7.29399 numMergedOcc 0
15 mol 129 unq 2 iso 0 dist 9.61101 6.29782 6.42706 10.514 5.12351 5.83384 15.1742 13.0193 9.36851 10.7293 numMergedOcc 0
16 mol 129 unq 3 iso 0 dist 9.61101 6.29782 6.42706 10.514 5.12351 5.83384 10.9456 8.03693 4.97175 7.29399 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 8.10386 12.9081 9.32245 13.5425 6.45787 9.76807 10.3411 4.11212 6.35982 4.34698 numMergedOcc 0
18 mol 170 unq 1 iso 0 dist 8.10386 12.9081 9.32245 13.5425 6.45787 9.76807 16.41 9.2613 7.51126 5.75144 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.52029 18.5654 9.44947 16.9329 10.5243 7.10633 9.46973 4.29037 9.68728 7.67571 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 9.52029 18.5654 9.44947 17.8571 10.2677 8.51516 9.46973 4.29037 9.68728 10.8573 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 6.33567 6.51074 7.69358 10.3219 9.80642 6.97229 13.1204 10.4922 7.6595 6.7919 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 8.88741 6.5875 7.30472 7.15785 6.43209 8.02547 11.3138 5.08716 8.43974 5.91643 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 8.88741 6.5875 7.30472 13.1629 11.6843 8.43057 11.3138 5.08716 8.43974 8.29908 numMergedOcc 0
24 mol 261 unq 2 iso 0 dist 8.88741 6.5875 7.30472 9.43169 7.78464 6.05727 11.3138 5.08716 8.43974 5.02383 numMergedOcc 0
