0 mol 9 unq 0 iso 0 dist 9.8978 10.4202 7.35972 15.4091 9.93542 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.8978 15.4091 9.93542 10.4202 7.35972 5.43306 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.26276 6.29049 7.35972 10.6101 9.93542 5.43306 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.26276 10.6101 9.93542 6.29049 7.35972 5.43306 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 7.95811 4.46394 7.46578 10.366 7.16561 8.05578 numMergedOcc 0
5 mol 11 unq 0 iso 1 dist 7.95811 10.366 7.16561 4.46394 7.46578 8.05578 numMergedOcc 0
6 mol 11 unq 1 iso 0 dist 9.52695 9.36527 7.98326 10.1362 7.46578 8.00765 numMergedOcc 0
7 mol 11 unq 1 iso 1 dist 9.52695 10.1362 7.46578 9.36527 7.98326 8.00765 numMergedOcc 0
8 mol 11 unq 2 iso 0 dist 9.78754 9.66474 7.98326 10.3999 7.90478 8.05578 numMergedOcc 0
9 mol 11 unq 2 iso 1 dist 9.78754 10.3999 7.90478 9.66474 7.98326 8.05578 numMergedOcc 0
10 mol 11 unq 3 iso 0 dist 8.40993 11.501 7.46578 5.91043 7.16561 8.05578 numMergedOcc 0
11 mol 11 unq 3 iso 1 dist 8.40993 5.91043 7.16561 11.501 7.46578 8.05578 numMergedOcc 0
12 mol 11 unq 4 iso 0 dist 8.23032 4.24301 7.90478 10.4568 7.16561 8.00765 numMergedOcc 0
13 mol 11 unq 4 iso 1 dist 8.23032 10.4568 7.16561 4.24301 7.90478 8.00765 numMergedOcc 0
14 mol 11 unq 5 iso 0 dist 8.22997 11.7321 7.90478 5.97265 7.16561 8.00765 numMergedOcc 0
15 mol 11 unq 5 iso 1 dist 8.22997 5.97265 7.16561 11.7321 7.90478 8.00765 numMergedOcc 0
16 mol 12 unq 0 iso 0 dist 9.25493 5.97178 5.76024 10.229 7.92714 5.25297 numMergedOcc 0
17 mol 12 unq 0 iso 1 dist 9.25493 10.229 7.92714 5.97178 5.76024 5.25297 numMergedOcc 0
18 mol 12 unq 1 iso 0 dist 9.25493 5.97178 5.76024 7.00379 8.47217 6.82858 numMergedOcc 0
19 mol 12 unq 1 iso 1 dist 9.25493 7.00379 8.47217 5.97178 5.76024 6.82858 numMergedOcc 0
20 mol 12 unq 1 iso 0 dist 9.25493 10.229 7.92714 7.00379 8.47217 11.9461 numMergedOcc 0
21 mol 12 unq 1 iso 1 dist 9.25493 7.00379 8.47217 10.229 7.92714 11.9461 numMergedOcc 0
22 mol 79 unq 0 iso 0 dist 8.17655 4.32712 8.03296 11.1935 9.26979 7.21092 numMergedOcc 0
23 mol 79 unq 0 iso 1 dist 8.17655 11.1935 9.26979 4.32712 8.03296 7.21092 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 6.47416 4.32712 5.82754 11.1935 9.05679 7.21092 numMergedOcc 0
25 mol 79 unq 1 iso 1 dist 6.47416 11.1935 9.05679 4.32712 5.82754 7.21092 numMergedOcc 0
26 mol 79 unq 2 iso 0 dist 9.78129 6.04442 8.03296 11.2226 9.26979 7.21092 numMergedOcc 0
27 mol 79 unq 2 iso 1 dist 9.78129 11.2226 9.26979 6.04442 8.03296 7.21092 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 7.7913 11.9687 6.77241 12.841 5.50508 6.2185 numMergedOcc 0
29 mol 92 unq 0 iso 1 dist 7.7913 12.841 5.50508 11.9687 6.77241 6.2185 numMergedOcc 0
30 mol 93 unq 0 iso 0 dist 7.4518 14.4094 8.89417 9.73718 9.95255 9.11219 numMergedOcc 0
31 mol 93 unq 0 iso 1 dist 7.4518 9.73718 9.95255 14.4094 8.89417 9.11219 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 5.94696 9.51607 7.36769 12.5752 6.88901 10.2754 numMergedOcc 0
33 mol 98 unq 0 iso 1 dist 5.94696 12.5752 6.88901 9.51607 7.36769 10.2754 numMergedOcc 0
34 mol 171 unq 0 iso 0 dist 6.21194 4.47323 5.25109 4.73373 8.21618 3.98338 numMergedOcc 0
35 mol 171 unq 0 iso 1 dist 6.21194 4.73373 8.21618 4.47323 5.25109 3.98338 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.95568 10.453 8.86197 3.97538 5.94379 11.5564 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 6.95568 3.97538 5.94379 10.453 8.86197 11.5564 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 9.79381 9.51443 8.37739 9.52516 9.47237 4.23863 numMergedOcc 0
39 mol 225 unq 0 iso 1 dist 9.79381 9.52516 9.47237 9.51443 8.37739 4.23863 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 8.37379 11.2979 8.37739 11.0488 9.47237 4.23863 numMergedOcc 0
41 mol 225 unq 1 iso 1 dist 8.37379 11.0488 9.47237 11.2979 8.37739 4.23863 numMergedOcc 0
42 mol 244 unq 0 iso 0 dist 8.08939 8.89726 7.95359 10.6799 6.22122 10.6423 numMergedOcc 0
43 mol 244 unq 0 iso 1 dist 8.08939 10.6799 6.22122 8.89726 7.95359 10.6423 numMergedOcc 0
44 mol 244 unq 1 iso 0 dist 7.33574 4.55034 7.95359 8.05133 6.22122 10.6423 numMergedOcc 0
45 mol 244 unq 1 iso 1 dist 7.33574 8.05133 6.22122 4.55034 7.95359 10.6423 numMergedOcc 0
46 mol 256 unq 0 iso 0 dist 5.66817 7.4144 6.33496 3.86625 6.00636 4.56465 numMergedOcc 0
47 mol 256 unq 0 iso 1 dist 5.66817 3.86625 6.00636 7.4144 6.33496 4.56465 numMergedOcc 0
48 mol 256 unq 1 iso 0 dist 5.66817 7.4144 6.33496 11.0891 7.81448 9.60398 numMergedOcc 0
49 mol 256 unq 1 iso 1 dist 5.66817 11.0891 7.81448 7.4144 6.33496 9.60398 numMergedOcc 0
50 mol 256 unq 2 iso 0 dist 5.66817 7.4144 6.33496 11.854 8.54499 7.37964 numMergedOcc 0
51 mol 256 unq 2 iso 1 dist 5.66817 11.854 8.54499 7.4144 6.33496 7.37964 numMergedOcc 0
52 mol 256 unq 1 iso 0 dist 5.66817 3.86625 6.00636 11.0891 7.81448 11.7084 numMergedOcc 0
53 mol 256 unq 1 iso 1 dist 5.66817 11.0891 7.81448 3.86625 6.00636 11.7084 numMergedOcc 0
54 mol 256 unq 2 iso 0 dist 5.66817 3.86625 6.00636 11.854 8.54499 10.9861 numMergedOcc 0
55 mol 256 unq 2 iso 1 dist 5.66817 11.854 8.54499 3.86625 6.00636 10.9861 numMergedOcc 0
56 mol 256 unq 2 iso 0 dist 5.66817 11.0891 7.81448 11.854 8.54499 4.46458 numMergedOcc 0
57 mol 256 unq 2 iso 1 dist 5.66817 11.854 8.54499 11.0891 7.81448 4.46458 numMergedOcc 0
