0 mol 2 unq 0 iso 0 dist 9.02628 9.78005 9.7009 6.89072 3.51035 10.5078 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 9.02628 6.89072 3.51035 9.78005 9.7009 10.5078 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.58588 8.7531 9.02466 7.25138 9.92911 14.2375 numMergedOcc 0
3 mol 62 unq 0 iso 1 dist 8.58588 7.25138 9.92911 8.7531 9.02466 14.2375 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 6.26491 8.56269 3.13977 9.40699 9.8511 12.9011 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 6.26491 9.40699 9.8511 8.56269 3.13977 12.9011 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 4.98783 7.29864 7.64986 7.7399 4.5216 11.8229 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 4.98783 7.7399 4.5216 7.29864 7.64986 11.8229 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.55124 5.10693 7.41642 6.58814 6.51388 2.81832 numMergedOcc 0
9 mol 93 unq 0 iso 1 dist 8.55124 6.58814 6.51388 5.10693 7.41642 2.81832 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.55124 5.10693 7.41642 6.13459 10.4066 10.7776 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 8.55124 6.13459 10.4066 5.10693 7.41642 10.7776 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 8.55124 5.10693 7.41642 7.54391 7.0544 10.4844 numMergedOcc 0
13 mol 93 unq 2 iso 1 dist 8.55124 7.54391 7.0544 5.10693 7.41642 10.4844 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.55124 6.58814 6.51388 6.13459 10.4066 11.7564 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 8.55124 6.13459 10.4066 6.58814 6.51388 11.7564 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 8.55124 6.58814 6.51388 7.54391 7.0544 10.3262 numMergedOcc 0
17 mol 93 unq 2 iso 1 dist 8.55124 7.54391 7.0544 6.58814 6.51388 10.3262 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.55124 6.13459 10.4066 7.54391 7.0544 5.02964 numMergedOcc 0
19 mol 93 unq 2 iso 1 dist 8.55124 7.54391 7.0544 6.13459 10.4066 5.02964 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.52322 6.99587 7.93285 4.37577 8.70013 3.09727 numMergedOcc 0
21 mol 186 unq 0 iso 1 dist 8.52322 4.37577 8.70013 6.99587 7.93285 3.09727 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.9224 5.05414 11.3109 7.16964 8.942 4.98308 numMergedOcc 0
23 mol 192 unq 0 iso 1 dist 9.9224 7.16964 8.942 5.05414 11.3109 4.98308 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 8.19381 5.16859 5.2958 4.79207 7.02866 5.86449 numMergedOcc 0
25 mol 244 unq 0 iso 1 dist 8.19381 4.79207 7.02866 5.16859 5.2958 5.86449 numMergedOcc 0
26 mol 244 unq 1 iso 0 dist 8.93421 5.16859 11.2661 4.79207 13.4101 5.86449 numMergedOcc 0
27 mol 244 unq 1 iso 1 dist 8.93421 4.79207 13.4101 5.16859 11.2661 5.86449 numMergedOcc 0
28 mol 244 unq 2 iso 0 dist 7.35657 5.16859 7.64875 4.79207 11.5997 5.86449 numMergedOcc 0
29 mol 244 unq 2 iso 1 dist 7.35657 4.79207 11.5997 5.16859 7.64875 5.86449 numMergedOcc 0
30 mol 244 unq 3 iso 0 dist 6.19605 5.16859 9.20762 4.79207 9.06024 5.86449 numMergedOcc 0
31 mol 244 unq 3 iso 1 dist 6.19605 4.79207 9.06024 5.16859 9.20762 5.86449 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 6.23198 7.88108 5.76999 9.46576 12.9904 9.93488 numMergedOcc 0
33 mol 260 unq 0 iso 1 dist 6.23198 9.46576 12.9904 7.88108 5.76999 9.93488 numMergedOcc 0
34 mol 286 unq 0 iso 0 dist 9.02971 8.87916 7.36907 8.27359 6.33854 11.4954 numMergedOcc 0
35 mol 286 unq 0 iso 1 dist 9.02971 8.27359 6.33854 8.87916 7.36907 11.4954 numMergedOcc 0
36 mol 286 unq 1 iso 0 dist 9.02971 8.87916 7.36907 8.14957 6.85148 12.5721 numMergedOcc 0
37 mol 286 unq 1 iso 1 dist 9.02971 8.14957 6.85148 8.87916 7.36907 12.5721 numMergedOcc 0
38 mol 286 unq 1 iso 0 dist 9.02971 8.27359 6.33854 8.14957 6.85148 4.6486 numMergedOcc 0
39 mol 286 unq 1 iso 1 dist 9.02971 8.14957 6.85148 8.27359 6.33854 4.6486 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 6.33332 7.48987 7.0236 8.35637 3.65046 10.1889 numMergedOcc 0
41 mol 294 unq 0 iso 1 dist 6.33332 8.35637 3.65046 7.48987 7.0236 10.1889 numMergedOcc 0
