0 mol 58 unq 0 iso 0 dist 7.42639 8.16176 7.04193 5.52793 7.15486 7.5247 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.42639 5.52793 7.15486 8.16176 7.04193 7.5247 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.42639 8.16176 7.04193 5.83776 8.52969 11.6716 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 7.42639 5.83776 8.52969 8.16176 7.04193 11.6716 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.42639 5.52793 7.15486 5.83776 8.52969 10.6169 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 7.42639 5.83776 8.52969 5.52793 7.15486 10.6169 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 8.52815 5.34993 7.95122 10.0449 9.74268 5.22626 numMergedOcc 0
7 mol 70 unq 0 iso 1 dist 8.52815 10.0449 9.74268 5.34993 7.95122 5.22626 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 4.69587 9.12104 9.24996 6.80998 8.37473 8.97208 numMergedOcc 0
9 mol 94 unq 0 iso 1 dist 4.69587 6.80998 8.37473 9.12104 9.24996 8.97208 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.21973 10.9806 6.9538 12.3764 9.36111 5.04987 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 8.21973 12.3764 9.36111 10.9806 6.9538 5.04987 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.15979 10.6115 7.63658 5.80327 7.65229 10.838 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 9.15979 5.80327 7.65229 10.6115 7.63658 10.838 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.49299 13.8837 9.0339 14.8844 8.48641 4.35917 numMergedOcc 0
15 mol 132 unq 0 iso 1 dist 8.49299 14.8844 8.48641 13.8837 9.0339 4.35917 numMergedOcc 0
16 mol 132 unq 1 iso 0 dist 8.49299 13.8837 9.0339 8.02299 6.23573 13.624 numMergedOcc 0
17 mol 132 unq 1 iso 1 dist 8.49299 8.02299 6.23573 13.8837 9.0339 13.624 numMergedOcc 0
18 mol 132 unq 1 iso 0 dist 8.49299 14.8844 8.48641 8.02299 6.23573 12.1165 numMergedOcc 0
19 mol 132 unq 1 iso 1 dist 8.49299 8.02299 6.23573 14.8844 8.48641 12.1165 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 8.04498 4.65392 7.92766 11.0965 6.32652 12.5143 numMergedOcc 0
21 mol 204 unq 0 iso 1 dist 8.04498 11.0965 6.32652 4.65392 7.92766 12.5143 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 4.971 6.00315 6.49599 6.72493 9.34738 4.86771 numMergedOcc 0
23 mol 259 unq 0 iso 1 dist 4.971 6.72493 9.34738 6.00315 6.49599 4.86771 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 4.971 6.00315 6.49599 5.69584 9.47382 6.96053 numMergedOcc 0
25 mol 259 unq 1 iso 1 dist 4.971 5.69584 9.47382 6.00315 6.49599 6.96053 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 4.971 6.72493 9.34738 5.69584 9.47382 7.64658 numMergedOcc 0
27 mol 259 unq 1 iso 1 dist 4.971 5.69584 9.47382 6.72493 9.34738 7.64658 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 8.25189 14.0548 9.04738 9.14741 8.68046 9.81725 numMergedOcc 0
29 mol 271 unq 0 iso 1 dist 8.25189 9.14741 8.68046 14.0548 9.04738 9.81725 numMergedOcc 0
30 mol 271 unq 1 iso 0 dist 8.25189 14.0548 9.04738 11.3554 5.98336 10.2122 numMergedOcc 0
31 mol 271 unq 1 iso 1 dist 8.25189 11.3554 5.98336 14.0548 9.04738 10.2122 numMergedOcc 0
32 mol 271 unq 2 iso 0 dist 8.25189 14.0548 9.04738 5.46826 9.67453 16.9733 numMergedOcc 0
33 mol 271 unq 2 iso 1 dist 8.25189 5.46826 9.67453 14.0548 9.04738 16.9733 numMergedOcc 0
34 mol 271 unq 1 iso 0 dist 8.25189 9.14741 8.68046 11.3554 5.98336 6.8467 numMergedOcc 0
35 mol 271 unq 1 iso 1 dist 8.25189 11.3554 5.98336 9.14741 8.68046 6.8467 numMergedOcc 0
36 mol 271 unq 2 iso 0 dist 8.25189 9.14741 8.68046 5.46826 9.67453 9.98968 numMergedOcc 0
37 mol 271 unq 2 iso 1 dist 8.25189 5.46826 9.67453 9.14741 8.68046 9.98968 numMergedOcc 0
38 mol 271 unq 2 iso 0 dist 8.25189 11.3554 5.98336 5.46826 9.67453 10.5503 numMergedOcc 0
39 mol 271 unq 2 iso 1 dist 8.25189 5.46826 9.67453 11.3554 5.98336 10.5503 numMergedOcc 0
40 mol 276 unq 0 iso 0 dist 5.39708 5.58984 7.11272 5.82952 6.24808 8.84158 numMergedOcc 0
41 mol 276 unq 0 iso 1 dist 5.39708 5.82952 6.24808 5.58984 7.11272 8.84158 numMergedOcc 0
