0 mol 21 unq 0 iso 0 dist 8.07914 7.30688 10.1117 6.70786 9.53082 9.53569 numMergedOcc 0
1 mol 21 unq 0 iso 1 dist 8.07914 6.70786 9.53082 7.30688 10.1117 9.53569 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 8.07914 7.30688 10.1117 8.16395 9.20888 8.08824 numMergedOcc 0
3 mol 21 unq 1 iso 1 dist 8.07914 8.16395 9.20888 7.30688 10.1117 8.08824 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 8.07914 6.70786 9.53082 8.16395 9.20888 3.48011 numMergedOcc 0
5 mol 21 unq 1 iso 1 dist 8.07914 8.16395 9.20888 6.70786 9.53082 3.48011 numMergedOcc 0
6 mol 29 unq 0 iso 0 dist 5.36278 9.64034 5.97852 8.26334 11.1943 16.785 numMergedOcc 0
7 mol 29 unq 0 iso 1 dist 5.36278 8.26334 11.1943 9.64034 5.97852 16.785 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 9.06142 6.34748 9.83589 8.25594 13.3076 11.1062 numMergedOcc 0
9 mol 56 unq 0 iso 1 dist 9.06142 8.25594 13.3076 6.34748 9.83589 11.1062 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 8.41264 6.34748 12.3293 8.25594 9.40102 11.1062 numMergedOcc 0
11 mol 56 unq 1 iso 1 dist 8.41264 8.25594 9.40102 6.34748 12.3293 11.1062 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 6.22441 6.21094 6.42891 8.44482 10.8407 4.79267 numMergedOcc 0
13 mol 87 unq 0 iso 1 dist 6.22441 8.44482 10.8407 6.21094 6.42891 4.79267 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 5.91543 6.21094 4.13495 8.44482 6.37184 4.79267 numMergedOcc 0
15 mol 87 unq 1 iso 1 dist 5.91543 8.44482 6.37184 6.21094 4.13495 4.79267 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 7.6453 9.31543 9.82512 8.85652 6.31483 5.94312 numMergedOcc 0
17 mol 129 unq 0 iso 1 dist 7.6453 8.85652 6.31483 9.31543 9.82512 5.94312 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 9.69055 9.63224 5.41626 6.98794 3.98653 5.9655 numMergedOcc 0
19 mol 192 unq 0 iso 1 dist 9.69055 6.98794 3.98653 9.63224 5.41626 5.9655 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 5.86911 8.44407 4.54444 6.0155 7.05353 5.97842 numMergedOcc 0
21 mol 214 unq 0 iso 1 dist 5.86911 6.0155 7.05353 8.44407 4.54444 5.97842 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 5.86911 8.44407 4.54444 8.89981 12.9344 16.136 numMergedOcc 0
23 mol 214 unq 1 iso 1 dist 5.86911 8.89981 12.9344 8.44407 4.54444 16.136 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 5.86911 6.0155 7.05353 8.89981 12.9344 12.6404 numMergedOcc 0
25 mol 214 unq 1 iso 1 dist 5.86911 8.89981 12.9344 6.0155 7.05353 12.6404 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 7.89258 8.44407 5.33718 6.0155 5.12324 5.97842 numMergedOcc 0
27 mol 214 unq 2 iso 1 dist 7.89258 6.0155 5.12324 8.44407 5.33718 5.97842 numMergedOcc 0
28 mol 214 unq 3 iso 0 dist 7.89258 8.44407 5.33718 8.89981 12.8738 16.136 numMergedOcc 0
29 mol 214 unq 3 iso 1 dist 7.89258 8.89981 12.8738 8.44407 5.33718 16.136 numMergedOcc 0
30 mol 214 unq 3 iso 0 dist 7.89258 6.0155 5.12324 8.89981 12.8738 12.6404 numMergedOcc 0
31 mol 214 unq 3 iso 1 dist 7.89258 8.89981 12.8738 6.0155 5.12324 12.6404 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 7.65121 8.94981 11.8703 5.90986 4.88404 8.05944 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 7.65121 5.90986 4.88404 8.94981 11.8703 8.05944 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 7.65121 8.94981 11.8703 7.50697 13.6563 13.7858 numMergedOcc 0
35 mol 225 unq 1 iso 1 dist 7.65121 7.50697 13.6563 8.94981 11.8703 13.7858 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 7.65121 5.90986 4.88404 7.50697 13.6563 11.2712 numMergedOcc 0
37 mol 225 unq 1 iso 1 dist 7.65121 7.50697 13.6563 5.90986 4.88404 11.2712 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.54422 8.40328 11.0103 8.2518 10.099 3.51848 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 8.54422 8.2518 10.099 8.40328 11.0103 3.51848 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 7.67473 8.40328 8.71577 8.2518 6.47425 3.51848 numMergedOcc 0
41 mol 259 unq 1 iso 1 dist 7.67473 8.2518 6.47425 8.40328 8.71577 3.51848 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 5.78262 8.66133 5.53908 6.95569 12.7125 15.0189 numMergedOcc 0
43 mol 273 unq 0 iso 1 dist 5.78262 6.95569 12.7125 8.66133 5.53908 15.0189 numMergedOcc 0
44 mol 273 unq 1 iso 0 dist 7.6489 8.66133 12.7274 6.95569 10.8576 15.0189 numMergedOcc 0
45 mol 273 unq 1 iso 1 dist 7.6489 6.95569 10.8576 8.66133 12.7274 15.0189 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 8.15119 9.91103 13.1828 7.0603 10.6994 3.39114 numMergedOcc 0
47 mol 277 unq 0 iso 1 dist 8.15119 7.0603 10.6994 9.91103 13.1828 3.39114 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 7.872 5.49829 3.05975 6.24134 11.5704 8.58145 numMergedOcc 0
49 mol 285 unq 0 iso 1 dist 7.872 6.24134 11.5704 5.49829 3.05975 8.58145 numMergedOcc 0
50 mol 285 unq 1 iso 0 dist 6.32984 5.49829 5.76392 6.24134 4.4744 8.58145 numMergedOcc 0
51 mol 285 unq 1 iso 1 dist 6.32984 6.24134 4.4744 5.49829 5.76392 8.58145 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 5.83342 9.53621 4.65271 9.24101 5.90311 5.09813 numMergedOcc 0
53 mol 292 unq 0 iso 1 dist 5.83342 9.24101 5.90311 9.53621 4.65271 5.09813 numMergedOcc 0
