0 mol 11 unq 0 iso 0 dist 9.42442 6.42494 8.68636 9.68972 9.68172 13.7479 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 9.42442 9.68172 9.68972 8.68636 6.42494 13.7479 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 6.42494 9.42442 8.68636 4.1001 8.07112 11.8442 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 6.42494 8.07112 4.1001 8.68636 9.42442 11.8442 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 4.67917 6.88924 3.8971 7.14954 5.81747 6.81975 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 4.67917 5.81747 7.14954 3.8971 6.88924 6.81975 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 5.81747 6.81975 3.8971 7.14954 4.67917 6.88924 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 5.81747 4.67917 7.14954 3.8971 6.81975 6.88924 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 6.88924 4.67917 3.8971 7.14954 6.81975 5.81747 numMergedOcc 0
9 mol 59 unq 2 iso 1 dist 6.88924 6.81975 7.14954 3.8971 4.67917 5.81747 numMergedOcc 0
10 mol 59 unq 3 iso 0 dist 6.81975 5.81747 3.8971 7.14954 6.88924 4.67917 numMergedOcc 0
11 mol 59 unq 3 iso 1 dist 6.81975 6.88924 7.14954 3.8971 5.81747 4.67917 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.84346 9.53794 9.6334 3.93133 9.46472 12.389 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 9.84346 9.46472 3.93133 9.6334 9.53794 12.389 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.59503 9.61119 7.25233 14.0753 9.16403 16.0888 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 9.59503 9.16403 14.0753 7.25233 9.61119 16.0888 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 7.4839 8.13465 10.2653 10.4403 9.70481 17.7325 numMergedOcc 0
17 mol 176 unq 0 iso 1 dist 7.4839 9.70481 10.4403 10.2653 8.13465 17.7325 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 7.4839 8.13465 10.2653 6.6147 6.59532 13.673 numMergedOcc 0
19 mol 176 unq 1 iso 1 dist 7.4839 6.59532 6.6147 10.2653 8.13465 13.673 numMergedOcc 0
20 mol 176 unq 2 iso 0 dist 7.4839 9.09742 7.44775 10.4403 9.70481 13.031 numMergedOcc 0
21 mol 176 unq 2 iso 1 dist 7.4839 9.70481 10.4403 7.44775 9.09742 13.031 numMergedOcc 0
22 mol 176 unq 3 iso 0 dist 7.4839 9.09742 7.44775 6.6147 6.59532 10.8264 numMergedOcc 0
23 mol 176 unq 3 iso 1 dist 7.4839 6.59532 6.6147 7.44775 9.09742 10.8264 numMergedOcc 0
24 mol 176 unq 4 iso 0 dist 9.09742 7.4839 7.44775 3.69868 9.94201 10.1656 numMergedOcc 0
25 mol 176 unq 4 iso 1 dist 9.09742 9.94201 3.69868 7.44775 7.4839 10.1656 numMergedOcc 0
26 mol 176 unq 5 iso 0 dist 9.09742 8.13465 10.6388 3.69868 9.94201 10.9081 numMergedOcc 0
27 mol 176 unq 5 iso 1 dist 9.09742 9.94201 3.69868 10.6388 8.13465 10.9081 numMergedOcc 0
28 mol 183 unq 0 iso 0 dist 8.15747 5.44125 12.9125 3.75614 8.74903 7.11505 numMergedOcc 0
29 mol 183 unq 0 iso 1 dist 8.15747 8.74903 3.75614 12.9125 5.44125 7.11505 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 8.74903 7.11505 12.9125 3.75614 8.15747 5.44125 numMergedOcc 0
31 mol 183 unq 1 iso 1 dist 8.74903 8.15747 3.75614 12.9125 7.11505 5.44125 numMergedOcc 0
32 mol 183 unq 2 iso 0 dist 5.44125 8.15747 12.9125 3.75614 7.11505 8.74903 numMergedOcc 0
33 mol 183 unq 2 iso 1 dist 5.44125 7.11505 3.75614 12.9125 8.15747 8.74903 numMergedOcc 0
34 mol 183 unq 3 iso 0 dist 5.44125 8.15747 12.9125 9.96454 8.7143 16.7842 numMergedOcc 0
35 mol 183 unq 3 iso 1 dist 5.44125 8.7143 9.96454 12.9125 8.15747 16.7842 numMergedOcc 0
36 mol 183 unq 4 iso 0 dist 7.11505 8.74903 12.9125 3.75614 5.44125 8.15747 numMergedOcc 0
37 mol 183 unq 4 iso 1 dist 7.11505 5.44125 3.75614 12.9125 8.74903 8.15747 numMergedOcc 0
38 mol 183 unq 5 iso 0 dist 7.11505 8.74903 12.9125 12.8714 8.7143 16.7842 numMergedOcc 0
39 mol 183 unq 5 iso 1 dist 7.11505 8.7143 12.8714 12.9125 8.74903 16.7842 numMergedOcc 0
40 mol 185 unq 0 iso 0 dist 9.56016 7.92501 11.1645 9.83918 9.52252 16.5708 numMergedOcc 0
41 mol 185 unq 0 iso 1 dist 9.56016 9.52252 9.83918 11.1645 7.92501 16.5708 numMergedOcc 0
42 mol 185 unq 1 iso 0 dist 7.92501 9.56016 11.1645 6.40496 8.27418 10.1555 numMergedOcc 0
43 mol 185 unq 1 iso 1 dist 7.92501 8.27418 6.40496 11.1645 9.56016 10.1555 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 7.82564 9.91136 5.15729 5.00891 9.51177 12.9888 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 7.82564 9.51177 5.00891 5.15729 9.91136 12.9888 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 5.30455 6.8184 5.25523 4.24996 7.34794 10.6881 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 5.30455 7.34794 4.24996 5.25523 6.8184 10.6881 numMergedOcc 0
48 mol 292 unq 0 iso 0 dist 7.7557 9.87259 9.50833 8.77381 8.35169 14.8103 numMergedOcc 0
49 mol 292 unq 0 iso 1 dist 7.7557 8.35169 8.77381 9.50833 9.87259 14.8103 numMergedOcc 0
