0 mol 25 unq 0 iso 0 dist 7.03345 9.07927 9.39124 6.44262 9.90392 7.31767 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.03345 8.50987 7.11047 6.44262 9.90392 6.03987 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 5.2296 9.07927 11.898 6.44262 10.9818 7.31767 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 5.2296 8.50987 10.7715 6.44262 10.9818 6.03987 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.47819 7.89001 4.12189 12.2366 10.4776 9.5589 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.56769 6.47132 8.86989 9.86595 15.9541 7.17396 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.56769 6.47132 8.86989 10.2137 16.5984 9.21998 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 7.27623 8.46313 7.13676 9.46304 10.9228 6.72123 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.25746 7.02792 4.95357 11.4302 12.7823 9.35224 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 9.25746 7.02792 4.95357 6.20162 9.22737 6.56369 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 8.70947 7.42893 9.80321 5.81947 13.2895 6.57035 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 5.92115 9.06272 6.13737 8.2292 11.3703 9.61051 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 5.92115 9.06272 6.13737 10.7142 8.59695 5.83384 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.32304 7.49404 7.47571 7.91807 14.1255 8.40312 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.50699 7.85025 9.74121 4.26332 8.97762 6.29155 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.50699 7.85025 9.74121 11.5948 15.4305 6.80239 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.50699 7.85025 9.74121 13.8058 16.5229 8.00618 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.39237 5.47189 13.4775 5.48717 10.7663 7.54065 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.88579 9.14351 14.2876 12.1004 16.7213 7.57994 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 6.88579 9.14351 14.2876 9.40115 15.4972 6.18582 numMergedOcc 0
20 mol 249 unq 2 iso 0 dist 7.30848 9.14351 12.8314 12.1004 18.0687 7.57994 numMergedOcc 0
21 mol 249 unq 3 iso 0 dist 7.30848 9.14351 12.8314 9.40115 15.7034 6.18582 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.08267 5.27188 5.32928 5.34337 8.82388 7.32223 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 6.95552 9.80417 5.38982 10.759 10.5395 6.60405 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 7.64844 6.97104 6.91945 12.2532 16.4764 9.8993 numMergedOcc 0
25 mol 276 unq 1 iso 0 dist 7.64844 6.97104 6.91945 5.58984 11.5159 6.87396 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.36667 9.60619 9.98703 9.96126 14.3267 9.70696 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 6.74021 9.60619 11.6718 9.96126 15.8031 9.70696 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 8.23483 6.87804 11.5813 11.634 18.7907 8.2734 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 9.21126 6.07571 8.50714 8.66797 15.0671 8.2734 numMergedOcc 0
