0 mol 26 unq 0 iso 0 dist 6.38243 12.4814 8.97754 11.5353 5.29055 9.82851 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.38243 12.4814 8.97754 9.5053 4.76998 9.11311 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.87028 6.21346 9.10675 6.62229 5.45005 6.41008 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.04168 5.47798 4.78333 9.72007 4.53016 6.86517 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.04168 5.47798 4.78333 13.2163 6.0749 8.33791 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 8.04168 7.86805 4.74254 13.2163 6.0749 7.38548 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.26995 6.74231 5.35861 14.9121 10.5584 8.99451 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.8435 5.99863 8.28591 10.4115 14.433 7.48947 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 5.99269 5.99863 5.35008 10.4115 9.54244 7.48947 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 5.71763 5.99863 8.30921 10.4115 9.86691 7.48947 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.6121 10.7475 4.55071 16.0882 10.3622 6.21165 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.78801 9.93041 8.49847 5.44303 6.11089 8.47526 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.48313 12.7348 4.94473 14.687 6.32315 5.13405 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.68663 5.42311 6.60366 6.95372 4.06908 7.2932 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 5.48379 6.02991 6.77583 5.8628 4.09908 4.6512 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 5.48379 6.02991 6.77583 12.1658 9.81176 9.45696 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.57801 9.28201 8.92135 15.9486 10.6999 9.31569 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.57801 9.28201 8.92135 7.46987 6.18065 8.72743 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 7.04815 6.50208 6.94594 4.5271 3.87169 7.37629 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 7.04815 6.3786 5.81881 4.5271 3.87169 5.68985 numMergedOcc 0
20 mol 186 unq 4 iso 0 dist 6.07389 8.54557 9.4366 7.02575 3.87082 8.2241 numMergedOcc 0
21 mol 186 unq 5 iso 0 dist 8.31881 9.09659 9.34653 13.6139 12.7314 5.25762 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.53395 6.72925 4.97301 9.90954 5.28417 5.59832 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 7.53395 6.72925 4.97301 5.95375 7.25932 9.17562 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.97027 3.98816 6.39673 9.08955 4.67663 9.30639 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.97027 3.98816 6.39673 8.88664 4.00869 6.24462 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 7.97027 3.98816 6.39673 7.16819 6.23984 6.02034 numMergedOcc 0
27 mol 222 unq 3 iso 0 dist 4.9876 3.98816 7.80676 9.08955 6.37382 9.30639 numMergedOcc 0
28 mol 222 unq 4 iso 0 dist 4.9876 3.98816 7.80676 8.88664 9.60662 6.24462 numMergedOcc 0
29 mol 222 unq 5 iso 0 dist 4.9876 3.98816 7.80676 7.16819 7.13962 6.02034 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.94601 8.03918 4.27826 6.74142 6.3633 8.79261 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 8.94601 11.1127 5.82074 6.74142 6.3633 9.99125 numMergedOcc 0
