0 mol 7 unq 0 iso 0 dist 8.57437 17.7278 9.85726 15.262 11.5784 9.60499 15.8072 10.4728 8.43473 6.02702 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.56648 5.48395 5.84479 6.36377 5.35079 6.31718 5.96976 12.137 10.4366 6.93532 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.01162 9.88291 6.59893 11.4465 10.3564 6.83299 12.377 8.77224 4.29856 6.14538 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.82315 7.49081 5.92705 10.5781 5.4671 6.65721 11.5851 11.9267 13.5488 9.25641 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 9.67403 4.90701 9.62468 11.0419 10.7369 6.65721 18.4095 19.3555 13.5488 9.25641 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 7.28917 16.7918 9.62468 17.6513 10.7369 6.65721 26.0516 19.3555 13.5488 9.25641 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 11.0291 11.8037 7.4729 12.656 7.44343 9.50382 6.95572 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.93688 4.71849 9.514 11.0291 11.8037 7.4729 16.9147 13.7462 12.7565 7.38677 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.88184 9.24395 9.514 16.1796 11.8037 7.4729 14.9487 7.44343 9.50382 6.95572 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 9.88184 9.24395 9.514 16.1796 11.8037 7.4729 19.9316 13.7462 12.7565 7.38677 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.5199 4.50603 8.77773 5.22543 5.16122 6.57035 5.08458 9.83799 5.53055 6.98314 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.85651 4.84607 8.84018 9.3894 8.00493 6.5107 11.5759 13.4486 7.12976 6.66772 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.03858 11.981 8.84018 14.1938 8.00493 6.5107 18.4414 13.4486 7.12976 6.66772 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 5.43774 6.54937 8.44989 9.88732 9.76368 9.62337 10.6052 12.9666 8.78204 5.85827 numMergedOcc 0
14 mol 180 unq 1 iso 0 dist 8.31061 6.91082 8.44989 5.77949 9.76368 9.62337 5.62869 12.9666 8.78204 5.85827 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 4.96259 4.11061 6.00053 11.5719 11.1879 8.03334 10.453 12.5826 7.81713 6.2479 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 9.36753 12.0816 5.89084 12.3151 4.74041 6.56247 15.9736 10.2618 4.46561 9.81425 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 9.36753 6.94762 8.47009 12.3151 4.74041 9.36357 15.9736 10.2618 10.641 9.81425 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 8.06771 5.71237 8.13497 5.61261 9.69025 8.41846 7.98231 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.98006 9.79538 9.58006 8.06771 5.71237 7.88519 5.61261 9.69025 8.81835 7.98231 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 5.98006 9.79538 9.58006 11.1503 11.8501 7.46176 5.61261 9.69025 8.81835 7.08526 numMergedOcc 0
