0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 15.1647 8.41585 10.4545 5.26458 5.99972 8.401 12.0193 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 6.84017 6.16347 6.03478 9.34396 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 15.5398 7.92503 9.60684 6.11127 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 6.84017 6.16347 6.03478 10.8498 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 15.5398 7.92503 9.60684 5.30154 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 5.5249 8.80331 15.1595 5.33298 8.95682 12.8271 6.18002 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.06275 14.8755 8.47617 10.4413 6.20293 8.14351 5.33298 8.95682 12.8271 8.38399 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 8.90024 5.00932 8.47617 13.9129 8.80331 15.1595 13.2914 8.95682 12.8271 6.18002 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 8.90024 5.00932 8.47617 5.84171 6.20293 8.14351 13.2914 8.95682 12.8271 8.38399 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 5.04455 9.49454 15.7943 13.3662 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 5.04455 9.49454 15.7943 12.0666 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 5.04455 9.49454 15.7943 11.4333 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 12.3158 5.08437 9.04817 15.5475 6.65501 9.0917 4.4057 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 15.1765 6.48948 4.70157 15.5475 6.65501 9.0917 7.42446 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.83528 10.7274 4.31067 8.06684 6.10456 6.21302 15.5475 6.65501 9.0917 9.67482 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 11.7493 5.08437 9.04817 13.2316 6.65501 9.0917 4.4057 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 7.54969 5.76482 4.31067 10.3366 6.48948 4.70157 13.2316 6.65501 9.0917 7.42446 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 7.54969 5.76482 4.31067 5.15322 6.10456 6.21302 13.2316 6.65501 9.0917 9.67482 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 9.75696 8.37808 9.57532 10.577 8.88537 5.97096 5.0355 numMergedOcc 0
19 mol 122 unq 1 iso 0 dist 8.47907 8.96396 8.054 9.75696 8.37808 9.57532 6.9595 9.23819 4.4646 7.39059 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 6.75154 6.5107 4.90674 4.77149 6.66772 5.42142 7.12976 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 9.94179 7.03937 6.29975 6.70853 9.52634 5.78974 4.77149 6.66772 5.42142 4.34568 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 7.70631 10.0858 9.14737 12.7195 8.56633 9.23779 14.5203 7.50013 14.372 8.46623 numMergedOcc 0
23 mol 197 unq 1 iso 0 dist 7.70631 10.0858 9.14737 12.7195 8.56633 9.23779 11.199 5.81233 14.6749 10.7305 numMergedOcc 0
24 mol 197 unq 2 iso 0 dist 7.70631 10.0858 9.14737 12.7195 8.56633 9.23779 12.0358 6.92924 5.9589 5.41996 numMergedOcc 0
25 mol 197 unq 3 iso 0 dist 7.70631 10.0858 9.14737 12.7195 8.56633 9.23779 7.10431 7.14306 9.27427 6.64537 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 5.49043 5.4638 4.28841 12.5723 9.55668 9.6662 7.60081 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 9.62983 8.23192 9.51148 9.85403 8.76935 6.86882 6.60697 numMergedOcc 0
28 mol 243 unq 1 iso 0 dist 7.80612 14.2037 8.69557 9.62983 8.23192 9.51148 7.14241 8.47652 10.1903 4.26017 numMergedOcc 0
29 mol 243 unq 2 iso 0 dist 7.80612 4.72507 4.89168 9.62983 8.23192 6.50608 9.85403 8.76935 5.73931 6.60697 numMergedOcc 0
30 mol 243 unq 3 iso 0 dist 7.80612 4.72507 4.89168 9.62983 8.23192 6.50608 7.14241 8.47652 4.41191 4.26017 numMergedOcc 0
