0 mol 43 unq 0 iso 0 dist 8.06275 15.4384 8.90024 5.71662 9.74445 18.5048 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.90024 15.4384 8.06275 18.5048 9.74445 5.71662 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.35333 9.72677 9.16277 5.97717 9.18371 5.63651 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 9.16277 9.72677 6.35333 5.63651 9.18371 5.97717 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.8079 16.7019 8.3558 11.4622 4.98104 5.38868 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 8.3558 16.7019 9.8079 5.38868 4.98104 11.4622 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.50575 10.8923 8.43116 9.78923 6.7225 7.46653 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 8.43116 10.8923 9.50575 7.46653 6.7225 9.78923 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 8.86346 4.10205 4.93681 7.25495 7.57458 5.20379 numMergedOcc 0
9 mol 142 unq 0 iso 1 dist 4.93681 4.10205 8.86346 5.20379 7.57458 7.25495 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.57514 4.88176 6.11505 8.21257 8.43584 5.03046 numMergedOcc 0
11 mol 205 unq 0 iso 1 dist 6.11505 4.88176 8.57514 5.03046 8.43584 8.21257 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 6.32302 9.90084 8.53615 5.47886 9.84492 14.8014 numMergedOcc 0
13 mol 229 unq 0 iso 1 dist 8.53615 9.90084 6.32302 14.8014 9.84492 5.47886 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 5.60236 9.1359 9.03917 7.33514 9.71281 10.7399 numMergedOcc 0
15 mol 235 unq 0 iso 1 dist 9.03917 9.1359 5.60236 10.7399 9.71281 7.33514 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 8.23536 9.1453 6.90245 4.56189 9.72526 10.121 numMergedOcc 0
17 mol 241 unq 0 iso 1 dist 6.90245 9.1453 8.23536 10.121 9.72526 4.56189 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.151 11.3045 8.33977 13.1772 9.98528 17.7336 numMergedOcc 0
19 mol 277 unq 0 iso 1 dist 8.33977 11.3045 7.151 17.7336 9.98528 13.1772 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.53324 11.3045 8.66941 7.09461 9.02914 16.013 numMergedOcc 0
21 mol 277 unq 1 iso 1 dist 8.66941 11.3045 8.53324 16.013 9.02914 7.09461 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 9.82717 17.8765 8.33653 14.401 8.71213 8.64319 numMergedOcc 0
23 mol 285 unq 0 iso 1 dist 8.33653 17.8765 9.82717 8.64319 8.71213 14.401 numMergedOcc 0
24 mol 285 unq 1 iso 0 dist 9.82717 14.2565 6.44657 14.401 8.71213 14.1417 numMergedOcc 0
25 mol 285 unq 1 iso 1 dist 6.44657 14.2565 9.82717 14.1417 8.71213 14.401 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 8.33653 9.31107 6.44657 8.64319 8.71213 14.1417 numMergedOcc 0
27 mol 285 unq 1 iso 1 dist 6.44657 9.31107 8.33653 14.1417 8.71213 8.64319 numMergedOcc 0
