0 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 5.65481 9.04834 4.7319 5.1333 5.36911 6.72833 6.51133 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 13.9129 19.1124 8.80331 13.2914 19.9657 8.95682 6.18002 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.19567 8.90024 14.2671 5.84171 11.7216 6.20293 13.2914 19.9657 8.95682 8.38399 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.34433 8.90024 12.0037 13.9129 19.9708 8.80331 13.2914 17.6519 8.95682 6.18002 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.34433 8.90024 12.0037 5.84171 13.3384 6.20293 13.2914 17.6519 8.95682 8.38399 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 7.70414 9.10915 9.67592 5.40109 12.219 9.97159 6.21578 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 7.70414 5.54343 9.67592 5.40109 9.23947 9.97159 6.21578 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 15.1474 10.9081 7.4729 10.2731 6.15654 6.95572 9.50382 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 15.1474 10.9081 7.4729 4.66752 7.89887 7.38677 12.7565 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 8.98532 8.3558 5.1767 8.66262 10.3582 6.82344 10.2731 6.15654 6.95572 7.56363 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 8.98532 8.3558 5.1767 8.66262 10.3582 6.82344 4.66752 7.89887 7.38677 5.91004 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 6.49725 9.24515 7.5732 8.84017 11.4347 6.84011 7.436 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.18707 9.50575 11.7723 6.68557 12.9952 5.11551 13.4067 18.3715 6.92026 6.77806 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.91786 9.50575 7.10772 6.68557 7.83568 5.11551 13.4067 13.3321 6.92026 6.77806 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 9.30817 13.9196 9.89303 6.64576 12.7936 5.83771 7.41674 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 6.7402 4.9155 7.46245 9.30817 13.9196 6.54501 6.64576 12.7936 7.80532 7.41674 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.7402 4.9155 7.46245 10.879 13.403 6.49416 6.64576 12.7936 7.80532 9.87376 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 5.35615 11.2774 7.56373 9.57857 14.3008 6.85935 6.552 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 9.29407 13.353 8.27212 5.70548 10.6999 9.05071 8.80479 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 5.3674 6.40592 7.4631 5.69979 10.2312 7.89524 4.45049 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 7.72368 7.80612 6.64693 9.62983 13.8538 8.23192 9.85403 12.7062 8.76935 6.60697 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 7.72368 7.80612 6.64693 9.62983 13.8538 8.23192 7.14241 12.4012 8.47652 4.26017 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 12.8387 11.9787 8.44326 11.8916 10.1379 8.00673 4.97614 numMergedOcc 0
23 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 12.8387 15.1476 8.44326 11.8916 14.1922 8.00673 4.97614 numMergedOcc 0
24 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 12.8387 22.2099 8.44326 11.8916 21.328 8.00673 4.97614 numMergedOcc 0
