0 mol 16 unq 0 iso 0 dist 8.60935 6.04965 5.05215 6.20183 10.7526 6.29703 5.8404 6.60918 4.86568 5.64581 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.25793 8.14057 11.8136 11.0399 16.1164 7.49054 7.39819 14.7969 5.83409 5.49044 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.86611 8.06457 4.12027 4.97314 10.446 8.54906 4.165 11.0821 7.88289 6.6292 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 9.86611 8.06457 4.12027 4.97314 10.446 8.54906 7.84998 9.88504 9.01083 12.3193 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 8.48829 5.79411 6.59891 6.82817 11.3925 9.01767 6.03768 12.8098 7.36792 6.42572 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 8.48829 5.79411 6.59891 10.6581 15.1236 9.80678 6.03768 12.8098 7.36792 5.54551 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 5.51129 6.1421 5.57978 7.55004 10.7832 6.29026 7.86921 7.00798 8.54584 11.5533 numMergedOcc 0
7 mol 234 unq 0 iso 0 dist 6.8314 9.5181 4.98993 7.03383 9.5831 8.47009 9.15708 10.2233 9.36357 4.74041 numMergedOcc 0
8 mol 234 unq 1 iso 0 dist 6.8314 9.5181 4.98993 7.03383 9.5831 8.47009 4.94699 4.91961 6.7625 6.16697 numMergedOcc 0
9 mol 249 unq 0 iso 0 dist 5.98732 9.14351 8.71871 10.0482 10.4945 7.29898 12.1004 14.3622 7.57994 6.6173 numMergedOcc 0
10 mol 249 unq 1 iso 0 dist 5.98732 9.14351 8.71871 10.0482 10.4945 7.29898 9.40115 12.4246 6.18582 8.95486 numMergedOcc 0
11 mol 249 unq 2 iso 0 dist 5.98732 9.14351 8.71871 14.5045 15.0362 8.91685 12.1004 14.3622 7.57994 5.25611 numMergedOcc 0
12 mol 249 unq 3 iso 0 dist 5.98732 9.14351 8.71871 14.5045 15.0362 8.91685 9.40115 12.4246 6.18582 9.66184 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 8.91236 9.89728 10.3156 16.8866 18.0859 7.93997 5.07898 6.20344 7.46176 14.8465 numMergedOcc 0
14 mol 276 unq 0 iso 0 dist 9.37008 8.63281 6.23528 11.5683 11.1102 9.05218 12.388 14.4138 9.8993 5.72513 numMergedOcc 0
15 mol 276 unq 1 iso 0 dist 9.37008 8.63281 6.23528 11.5683 11.1102 9.05218 6.58819 11.4412 6.87396 8.86096 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 8.20213 8.62414 7.25786 18.1946 15.9626 9.82774 12.2316 15.0888 8.44326 10.5903 numMergedOcc 0
