0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 15.1647 8.41585 10.4545 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.64855 5.5336 7.0208 15.5387 9.58196 10.5465 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.64855 5.39895 7.28563 15.5387 9.58196 12.3645 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 7.94714 7.70341 8.51112 11.2303 9.04767 12.3645 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 7.37356 4.84965 8.51213 7.426 9.51761 11.0081 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 7.53082 7.3094 11.3758 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.94828 7.11194 6.00307 14.2406 7.57578 7.95074 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 8.94828 7.11194 6.00307 15.6642 7.17969 10.3928 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 5.36895 9.95794 7.07587 5.07641 7.99312 11.8001 numMergedOcc 0
9 mol 41 unq 1 iso 0 dist 5.36895 9.95794 7.07587 8.54745 8.2183 9.78914 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 5.84171 5.73819 8.14351 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 8.06275 14.8755 8.47617 5.5249 8.80331 15.1595 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 8.06275 14.8755 8.47617 10.4413 6.20293 8.14351 numMergedOcc 0
13 mol 43 unq 3 iso 0 dist 8.90024 5.00932 8.47617 13.9129 8.80331 15.1595 numMergedOcc 0
14 mol 43 unq 4 iso 0 dist 8.90024 5.00932 8.47617 5.84171 6.20293 8.14351 numMergedOcc 0
15 mol 43 unq 5 iso 0 dist 6.78532 5.00932 5.73331 5.84171 8.93915 8.14351 numMergedOcc 0
16 mol 51 unq 0 iso 0 dist 6.67213 5.44727 8.99612 6.57102 9.0709 10.2637 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 8.07365 4.90339 9.17862 14.1188 7.27724 15.821 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 8.07365 12.9365 8.27456 14.1188 7.27724 9.7565 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 6.86713 11.5826 8.13273 10.3731 9.03572 6.56354 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 6.86713 11.5826 8.13273 7.4052 8.83255 6.68919 numMergedOcc 0
21 mol 95 unq 4 iso 0 dist 6.86713 11.5826 8.13273 9.70895 8.03644 14.1434 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 12.3158 5.08437 9.04817 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 9.83528 10.7274 4.31067 15.1765 6.48948 4.70157 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 9.83528 10.7274 4.31067 8.06684 6.10456 6.21302 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 7.54969 5.76482 4.31067 11.7493 5.08437 9.04817 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 7.54969 5.76482 4.31067 10.3366 6.48948 4.70157 numMergedOcc 0
27 mol 98 unq 5 iso 0 dist 7.54969 5.76482 4.31067 5.15322 6.10456 6.21302 numMergedOcc 0
28 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 7.75534 8.75408 10.7527 numMergedOcc 0
29 mol 120 unq 1 iso 0 dist 5.06555 7.08572 8.20009 5.61914 6.44653 5.6257 numMergedOcc 0
30 mol 120 unq 2 iso 0 dist 5.06555 9.04066 8.14799 7.75534 8.75408 9.8469 numMergedOcc 0
31 mol 120 unq 3 iso 0 dist 5.06555 9.04066 8.14799 5.61914 6.44653 5.0256 numMergedOcc 0
32 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 9.75696 8.37808 9.57532 numMergedOcc 0
33 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 6.75154 6.5107 4.90674 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 9.94179 7.03937 6.29975 6.70853 9.52634 5.78974 numMergedOcc 0
35 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 5.65129 8.56324 14.8573 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.34839 14.9554 9.0847 10.5295 6.70283 8.41711 numMergedOcc 0
37 mol 152 unq 2 iso 0 dist 8.34839 14.9554 9.0847 10.7929 7.16148 4.82496 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 14.4072 6.69288 6.96904 numMergedOcc 0
39 mol 178 unq 1 iso 0 dist 8.04723 11.2444 7.14849 13.0519 6.43573 7.57303 numMergedOcc 0
40 mol 178 unq 2 iso 0 dist 8.04723 11.2444 7.14849 10.5681 7.17202 14.0459 numMergedOcc 0
41 mol 178 unq 3 iso 0 dist 8.04723 11.2444 7.14849 9.1499 8.81551 14.3001 numMergedOcc 0
42 mol 178 unq 4 iso 0 dist 8.04723 12.3996 8.63718 14.4072 6.69288 11.5509 numMergedOcc 0
43 mol 178 unq 5 iso 0 dist 8.04723 12.3996 8.63718 13.0519 6.43573 7.31401 numMergedOcc 0
44 mol 178 unq 6 iso 0 dist 8.04723 12.3996 8.63718 10.5681 7.17202 5.91018 numMergedOcc 0
45 mol 178 unq 7 iso 0 dist 8.04723 12.3996 8.63718 9.1499 8.81551 4.92895 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 7.70631 10.0858 9.14737 12.7195 8.56633 9.23779 numMergedOcc 0
47 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 5.49043 5.4638 4.28841 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 9.39537 5.81253 8.39522 9.53107 6.57393 4.88998 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 8.97461 5.81253 5.99187 10.4685 6.22714 5.74685 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 8.97461 5.81253 5.99187 11.6506 7.31233 5.87189 numMergedOcc 0
51 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 9.62983 8.23192 9.51148 numMergedOcc 0
52 mol 243 unq 1 iso 0 dist 7.80612 4.72507 4.89168 9.62983 8.23192 6.50608 numMergedOcc 0
53 mol 248 unq 0 iso 0 dist 7.40475 11.4636 9.5107 7.63032 7.69895 11.8955 numMergedOcc 0
54 mol 248 unq 1 iso 0 dist 7.40475 11.4636 9.5107 6.42334 7.21521 6.97887 numMergedOcc 0
55 mol 248 unq 2 iso 0 dist 7.40475 11.4636 9.5107 6.86606 8.2965 5.78576 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 9.2067 10.9933 5.31858 9.88911 6.42289 6.60345 numMergedOcc 0
57 mol 261 unq 0 iso 0 dist 9.80409 14.5584 9.45818 4.63237 9.14619 10.6944 numMergedOcc 0
58 mol 261 unq 1 iso 0 dist 9.80409 14.5584 9.45818 6.39263 8.45658 13.2478 numMergedOcc 0
59 mol 277 unq 0 iso 0 dist 7.23956 5.13652 9.64889 15.6875 9.7748 15.4648 numMergedOcc 0
