0 mol 24 unq 0 iso 0 dist 9.7649 14.2346 7.18124 10.5243 8.25818 7.19357 18.0177 14.3151 9.4353 7.61183 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.7649 6.7213 8.10168 10.5243 8.25818 13.7061 18.0177 14.3151 21.018 7.61183 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.5268 11.9263 7.18124 10.2093 8.25818 7.19357 17.6317 14.3151 9.4353 7.61183 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.5268 3.83179 8.10168 10.2093 8.25818 13.7061 17.6317 14.3151 21.018 7.61183 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 9.56722 7.08646 8.47637 10.8301 8.53424 13.6544 14.6111 9.64948 17.0335 5.42412 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.56722 7.08646 8.47637 10.0008 7.08766 11.0902 14.6111 9.64948 17.0335 8.09862 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 9.56722 7.08646 8.47637 10.0008 7.08766 11.0902 12.471 10.1805 8.33169 8.97167 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 9.56722 7.08646 8.47637 7.55139 4.82199 8.59089 14.6111 9.64948 17.0335 8.89114 numMergedOcc 0
8 mol 28 unq 4 iso 0 dist 9.56722 7.08646 8.47637 7.55139 4.82199 8.59089 12.471 10.1805 8.33169 8.8182 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.39335 4.48499 8.70827 13.0405 8.61143 12.2898 11.8447 7.86077 13.6534 7.50229 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.39335 3.84261 9.86479 13.0405 8.61143 16.1736 11.8447 7.86077 13.8387 7.50229 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.14978 15.8234 8.56285 9.809 4.88514 11.8161 13.7623 6.1672 8.14817 5.28634 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 8.00223 5.73429 5.58647 3.84631 6.85902 5.64063 7.36833 11.2094 11.9702 9.60931 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 5.65735 6.77967 9.57433 6.46348 9.54529 12.4019 10.9199 11.0751 17.5018 6.35772 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 7.43884 5.7413 7.24165 12.3524 9.9965 10.0357 17.0746 16.6916 13.5738 7.74133 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 9.14217 7.76761 9.97939 9.84883 4.68668 7.67746 10.457 5.13698 7.89324 5.55176 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.14217 7.76761 9.97939 9.84883 4.68668 7.67746 10.457 5.13698 7.89324 5.55176 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 9.14217 7.76761 9.97939 9.84883 4.68668 7.67746 10.457 5.13698 7.89324 5.55176 numMergedOcc 0
