0 mol 26 unq 0 iso 0 dist 9.5053 12.4814 9.11311 6.38243 4.76998 8.97754 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.59316 12.5266 7.11491 15.7956 8.23404 7.78689 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.51285 12.6408 7.1829 15.5958 8.13327 7.70645 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.86698 9.01238 7.1829 11.8412 8.13327 7.70645 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.62229 6.21346 6.41008 6.87028 5.45005 9.10675 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.36156 11.6533 8.96069 17.5488 10.6312 7.92114 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 9.36156 11.6533 8.96069 12.9171 4.08868 8.18375 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.9151 8.90156 6.21165 12.3083 10.3622 4.55071 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.92828 16.0667 8.47526 13.7499 6.11089 8.49847 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 5.44303 9.93041 8.47526 6.78801 6.11089 8.49847 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.73983 13.2445 8.40695 16.4718 11.0215 7.56563 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.6387 14.0635 8.40695 18.9455 11.0215 7.56563 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.95372 5.42311 7.2932 8.68663 4.06908 6.60366 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 5.8628 6.02991 4.6512 5.48379 4.09908 6.77583 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.46987 9.28201 8.72743 8.57801 6.18065 8.92135 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 4.5271 6.50208 7.37629 12.0771 8.66149 9.17458 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 4.5271 6.50208 7.37629 7.04815 3.87169 6.94594 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 4.5271 6.3786 5.68985 12.0771 8.66149 7.36794 numMergedOcc 0
18 mol 186 unq 4 iso 0 dist 4.5271 6.3786 5.68985 7.04815 3.87169 5.81881 numMergedOcc 0
19 mol 186 unq 5 iso 0 dist 7.02575 8.54557 8.2241 6.07389 3.87082 9.4366 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.07076 4.16557 6.81516 11.1106 5.19196 7.88986 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 8.07076 8.70828 9.17562 11.0472 7.25932 4.97301 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 5.95375 7.1653 6.81516 10.736 5.19196 7.88986 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 5.95375 6.72925 9.17562 7.53395 7.25932 4.97301 numMergedOcc 0
24 mol 205 unq 4 iso 0 dist 9.17946 11.5523 6.81516 14.2022 5.19196 7.88986 numMergedOcc 0
25 mol 205 unq 5 iso 0 dist 9.17946 10.2944 9.17562 10.183 7.25932 4.97301 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 9.08955 3.98816 9.30639 7.97027 4.67663 6.39673 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 9.08955 3.98816 9.30639 4.9876 6.37382 7.80676 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 8.88664 3.98816 6.24462 7.97027 4.00869 6.39673 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 8.88664 3.98816 6.24462 4.9876 9.60662 7.80676 numMergedOcc 0
30 mol 222 unq 4 iso 0 dist 7.16819 3.98816 6.02034 7.97027 6.23984 6.39673 numMergedOcc 0
31 mol 222 unq 5 iso 0 dist 7.16819 3.98816 6.02034 4.9876 7.13962 7.80676 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 6.74142 8.03918 8.79261 8.94601 6.3633 4.27826 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 6.74142 11.1127 9.99125 8.94601 6.3633 5.82074 numMergedOcc 0
