0 mol 9 unq 0 iso 0 dist 7.38646 5.09857 8.55446 6.89784 4.74921 5.40172 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.38646 5.86578 6.59455 6.89784 4.74921 3.91893 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.38646 10.699 5.71201 6.89784 4.74921 4.94281 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.97991 6.81961 9.5053 5.60099 9.41425 8.58071 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.0534 14.9324 7.62738 10.3098 8.59337 12.1293 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.0534 14.9324 7.62738 6.35914 7.66942 15.0139 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.09408 10.2703 8.70863 4.24482 5.72961 11.5785 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.89661 8.64726 7.62611 5.35225 6.46217 6.4154 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.61392 5.28204 5.39061 5.51628 4.48699 4.94367 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 9.13081 10.6596 5.39061 7.67738 4.48699 4.94367 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.95533 14.6343 7.25644 4.60169 7.19893 13.5462 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 9.95533 14.6343 7.25644 9.0113 6.37938 13.2259 numMergedOcc 0
12 mol 147 unq 2 iso 0 dist 7.94147 5.93581 7.25644 11.3679 7.19893 13.5462 numMergedOcc 0
13 mol 147 unq 3 iso 0 dist 7.94147 5.93581 7.25644 13.5566 6.37938 13.2259 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 7.27943 5.8155 5.06613 4.52353 5.42715 5.83776 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 7.27943 5.8155 5.06613 6.79695 9.70575 11.2086 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 8.67619 17.985 9.79069 14.7667 7.69757 6.5925 numMergedOcc 0
17 mol 163 unq 1 iso 0 dist 8.67619 8.49413 9.27496 14.7667 7.69757 15.5126 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 5.7371 5.3236 7.74683 4.87002 8.95728 8.24055 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 9.93982 5.78532 7.97418 14.1041 9.90699 11.5669 numMergedOcc 0
20 mol 209 unq 1 iso 0 dist 9.9518 5.54278 7.97418 15.8185 9.90699 11.5669 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.2457 6.2709 6.00582 8.41106 6.58003 3.64991 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.72947 8.89634 8.15091 3.99655 9.86765 10.4961 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 8.72947 8.89634 8.15091 5.37143 6.3738 5.68255 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.06496 10.0166 7.85414 13.9944 8.78893 12.1127 numMergedOcc 0
