0 mol 25 unq 0 iso 0 dist 9.07927 6.44262 7.31767 8.50987 4.51512 6.03987 4.95472 9.79094 5.68392 6.85556 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.89001 12.2366 9.5589 10.1199 5.08001 6.83299 13.887 10.6808 4.29856 6.14538 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46313 9.46304 6.72123 10.2837 6.86346 6.65721 11.9637 14.4663 13.5488 9.25641 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 13.592 8.24309 9.96708 20.1161 16.0048 11.6378 9.27838 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 14.4819 8.87654 7.17106 20.5412 15.2289 10.6848 7.10378 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 9.16549 12.6515 7.47343 12.2132 17.2419 11.2312 7.38135 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.3982 5.29965 5.11551 11.6013 6.5838 7.11972 10.6104 6.92026 6.77806 5.88249 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 11.6897 10.7062 6.85062 20.3382 18.0058 14.2045 8.70296 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 7.49404 7.91807 8.40312 11.6897 10.7062 6.85062 11.7049 13.44 5.09131 9.25558 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 11.7225 5.61668 8.22656 13.8698 12.4749 10.6025 7.71248 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 7.85025 13.8058 8.00618 13.0581 8.18495 7.11802 14.3802 12.7901 16.0138 9.22232 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 7.85025 13.8058 8.00618 13.0581 8.18495 7.11802 19.2578 13.5028 5.92062 9.22661 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 7.85025 13.8058 8.00618 13.0581 8.18495 7.11802 14.7103 11.8433 6.61891 7.56378 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.31743 10.2414 9.89303 8.5778 5.79898 6.54501 6.89623 5.83771 7.41674 7.80532 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 8.5778 10.2414 6.54501 8.31743 5.79898 9.89303 6.89623 7.80532 7.41674 5.83771 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 11.9058 13.8792 9.70748 8.69113 12.4002 5.4141 7.66165 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.17987 14.7629 9.45496 8.58958 5.88703 6.56247 18.0206 13.293 4.46561 9.81425 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.17987 13.5847 6.7625 8.58958 5.88703 9.36357 18.0206 13.293 10.641 9.81425 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 11.1914 4.86771 7.88519 13.5186 11.6972 8.81835 7.98231 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 8.70852 5.07898 7.84554 9.89728 7.64658 7.46176 13.5186 11.6972 8.81835 7.08526 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 9.89728 5.07898 7.46176 11.1914 6.96053 7.88519 13.5186 7.08526 8.81835 7.98231 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 6.42437 5.07898 9.18903 11.1914 10.4881 7.88519 13.5186 15.8414 8.81835 7.98231 numMergedOcc 0
22 mol 259 unq 4 iso 0 dist 6.42437 5.07898 9.18903 9.89728 10.5239 7.46176 13.5186 15.8414 8.81835 7.08526 numMergedOcc 0
