0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 9.81211 5.51421 4.44694 15.1647 8.41585 10.4545 10.6104 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 4.93826 8.40051 8.65485 14.2406 7.57578 7.95074 13.466 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 7.11194 6.00307 4.93826 8.40051 8.65485 15.6642 7.17969 10.3928 14.4191 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 6.41579 8.38387 12.345 5.5249 8.80331 15.1595 11.0096 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.06275 14.8755 8.47617 6.41579 8.38387 12.345 10.4413 6.20293 8.14351 11.8286 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.90024 5.00932 8.47617 14.9559 8.38387 12.345 13.9129 8.80331 15.1595 11.0096 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.90024 5.00932 8.47617 14.9559 8.38387 12.345 5.84171 6.20293 8.14351 11.8286 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 13.0144 5.9747 9.91645 12.3158 5.08437 9.04817 4.75138 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 13.0144 5.9747 9.91645 15.1765 6.48948 4.70157 10.4417 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.83528 10.7274 4.31067 13.0144 5.9747 9.91645 8.06684 6.10456 6.21302 11.3628 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.83528 10.7274 4.31067 10.11 4.50572 7.54723 12.3158 5.08437 9.04817 6.88489 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.83528 10.7274 4.31067 10.11 4.50572 7.54723 15.1765 6.48948 4.70157 9.63267 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 9.83528 10.7274 4.31067 10.11 4.50572 7.54723 8.06684 6.10456 6.21302 9.82583 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 7.54969 5.76482 4.31067 12.9828 5.9747 9.91645 11.7493 5.08437 9.04817 4.75138 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 7.54969 5.76482 4.31067 12.9828 5.9747 9.91645 10.3366 6.48948 4.70157 10.4417 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 7.54969 5.76482 4.31067 12.9828 5.9747 9.91645 5.15322 6.10456 6.21302 11.3628 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 7.54969 5.76482 4.31067 9.82501 4.50572 7.54723 11.7493 5.08437 9.04817 6.88489 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 7.54969 5.76482 4.31067 9.82501 4.50572 7.54723 10.3366 6.48948 4.70157 9.63267 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 7.54969 5.76482 4.31067 9.82501 4.50572 7.54723 5.15322 6.10456 6.21302 9.82583 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 8.75149 7.04864 11.9512 7.75534 8.75408 10.7527 4.5543 numMergedOcc 0
20 mol 120 unq 1 iso 0 dist 5.06555 7.08572 8.20009 8.75149 7.04864 11.9512 5.61914 6.44653 5.6257 6.81949 numMergedOcc 0
21 mol 120 unq 2 iso 0 dist 5.06555 9.04066 8.14799 8.75149 7.04864 10.1556 7.75534 8.75408 9.8469 4.5543 numMergedOcc 0
22 mol 120 unq 3 iso 0 dist 5.06555 9.04066 8.14799 8.75149 7.04864 10.1556 5.61914 6.44653 5.0256 6.81949 numMergedOcc 0
23 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 5.08302 9.40018 5.45124 9.75696 8.37808 9.57532 11.0216 numMergedOcc 0
24 mol 122 unq 1 iso 0 dist 8.47907 8.96396 8.054 11.2519 6.78949 4.79314 9.75696 8.37808 9.57532 7.54208 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 11.088 9.3894 7.49664 6.75154 6.5107 4.90674 4.84607 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 9.94179 7.03937 6.29975 11.088 9.3894 7.49664 6.70853 9.52634 5.78974 13.0836 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 6.11789 8.07256 11.6766 5.65129 8.56324 14.8573 10.4039 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.34839 14.9554 9.0847 6.11789 8.07256 11.6766 10.5295 6.70283 8.41711 11.1874 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 8.34839 14.9554 9.0847 6.11789 8.07256 11.6766 10.7929 7.16148 4.82496 8.36099 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 12.3178 9.11256 7.44501 5.49043 5.4638 4.28841 6.84447 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 7.8128 7.37236 8.84872 4.27313 7.08539 10.7196 5.49043 5.4638 4.28841 7.38431 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 9.39537 5.81253 8.39522 6.43015 6.24928 5.58605 9.53107 6.57393 4.88998 5.33567 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.23956 5.13652 9.64889 12.7088 9.29635 14.9226 15.6875 9.7748 15.4648 10.8075 numMergedOcc 0
