0 mol 20 unq 0 iso 0 dist 9.78431 7.58687 4.36087 12.8549 3.79581 6.09002 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 7.01492 4.09734 5.70939 10.8075 4.59725 8.41542 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.39124 6.16081 5.4713 13.2379 12.3186 9.45756 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 9.35792 4.5904 9.14801 9.60879 5.10993 9.58351 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.11218 4.63088 9.14801 9.61096 5.10993 9.58351 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 6.53198 5.23075 4.30875 10.4012 5.70579 9.59585 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 6.53198 5.43595 8.65807 10.4012 5.70579 9.7073 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 9.64785 10.5548 5.42679 6.91573 4.67662 8.04118 numMergedOcc 0
8 mol 142 unq 1 iso 0 dist 9.64785 10.5548 5.42679 12.0967 5.81599 8.39035 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.77567 13.8682 8.60651 14.2479 4.94983 6.79114 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.65328 4.18108 7.0961 10.1456 4.67135 7.48734 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.65328 4.18108 7.0961 7.53748 9.87321 5.6125 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 5.69346 4.18108 6.53038 10.1456 11.6594 7.48734 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 5.69346 4.18108 6.53038 7.53748 5.16335 5.6125 numMergedOcc 0
14 mol 168 unq 4 iso 0 dist 8.55388 8.29185 6.53038 13.3825 11.6594 7.48734 numMergedOcc 0
15 mol 168 unq 5 iso 0 dist 8.55388 8.29185 6.53038 11.3669 5.16335 5.6125 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.4644 5.05368 4.11374 10.1104 5.7891 9.37946 numMergedOcc 0
17 mol 169 unq 1 iso 0 dist 6.4644 5.49042 8.37602 10.1104 5.7891 9.13646 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.3407 12.1876 7.68686 14.9664 8.97813 9.31158 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.79613 13.8153 8.88902 11.5635 6.84862 5.1609 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 8.20902 9.69757 5.13533 12.4435 4.40029 7.42932 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 8.20902 9.69757 5.13533 6.86014 3.97543 4.9764 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 7.98589 5.00704 5.13533 8.23147 4.40029 7.42932 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 7.98589 5.00704 5.13533 6.49176 3.97543 4.9764 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.60476 3.47973 7.56691 8.52422 10.0918 5.35705 numMergedOcc 0
25 mol 278 unq 1 iso 0 dist 8.60476 3.47973 7.56691 9.78354 6.48173 6.64378 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.51266 5.92057 9.56933 6.02089 6.73772 9.93746 numMergedOcc 0
