0 mol 68 unq 0 iso 0 dist 8.18002 7.07032 8.15249 13.0823 7.96497 15.7076 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.24447 8.15236 11.4407 5.60777 7.96555 13.432 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 7.41608 6.36583 4.84196 5.81718 9.80862 8.43904 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 6.36583 7.41608 4.84196 6.24736 6.19042 10.2144 numMergedOcc 0
4 mol 119 unq 2 iso 0 dist 6.36583 7.41608 4.84196 5.81718 8.43904 9.80862 numMergedOcc 0
5 mol 187 unq 0 iso 0 dist 7.9625 6.56642 12.4673 4.98423 9.27478 10.8351 numMergedOcc 0
6 mol 227 unq 0 iso 0 dist 6.20188 9.47836 5.76653 5.14019 5.86443 7.22914 numMergedOcc 0
7 mol 227 unq 1 iso 0 dist 9.47836 6.20188 5.76653 5.14019 7.22914 5.86443 numMergedOcc 0
8 mol 228 unq 0 iso 0 dist 4.55699 7.75418 4.81304 5.85714 9.42615 12.883 numMergedOcc 0
9 mol 228 unq 1 iso 0 dist 4.55699 8.10816 8.57673 5.85714 9.42615 8.06181 numMergedOcc 0
10 mol 228 unq 2 iso 0 dist 8.10816 4.55699 8.57673 5.85714 8.06181 9.42615 numMergedOcc 0
11 mol 228 unq 3 iso 0 dist 8.10816 4.55699 8.57673 10.5025 8.38048 12.7909 numMergedOcc 0
12 mol 228 unq 4 iso 0 dist 8.10816 4.55699 8.57673 14.2891 7.65132 14.9859 numMergedOcc 0
13 mol 228 unq 5 iso 0 dist 8.10816 4.55699 8.57673 10.0386 8.53764 13.6165 numMergedOcc 0
14 mol 228 unq 6 iso 0 dist 8.10816 7.75418 9.53834 5.85714 8.06181 12.883 numMergedOcc 0
15 mol 228 unq 7 iso 0 dist 8.10816 7.75418 9.53834 10.5025 8.38048 16.077 numMergedOcc 0
16 mol 228 unq 8 iso 0 dist 8.10816 7.75418 9.53834 14.2891 7.65132 16.8126 numMergedOcc 0
17 mol 228 unq 9 iso 0 dist 8.10816 7.75418 9.53834 10.0386 8.53764 15.6108 numMergedOcc 0
18 mol 228 unq 10 iso 0 dist 7.81837 9.84486 10.4471 14.5035 8.06181 18.3083 numMergedOcc 0
19 mol 228 unq 11 iso 0 dist 7.81837 9.84486 10.4471 11.9658 8.38048 18.4925 numMergedOcc 0
20 mol 228 unq 12 iso 0 dist 7.81837 9.84486 10.4471 5.84747 7.65132 14.5461 numMergedOcc 0
21 mol 228 unq 13 iso 0 dist 7.81837 9.84486 10.4471 12.7016 8.53764 17.7077 numMergedOcc 0
22 mol 228 unq 14 iso 0 dist 7.95486 4.42593 8.22089 5.79543 7.77367 9.06121 numMergedOcc 0
23 mol 228 unq 15 iso 0 dist 7.95486 4.42593 8.22089 10.4968 8.20909 12.4332 numMergedOcc 0
24 mol 228 unq 16 iso 0 dist 7.95486 4.42593 8.22089 14.5051 7.94506 14.7666 numMergedOcc 0
25 mol 228 unq 17 iso 0 dist 7.95486 4.42593 8.22089 10.0847 8.15494 13.3068 numMergedOcc 0
26 mol 228 unq 18 iso 0 dist 7.95486 7.33564 9.05292 5.79543 7.77367 12.305 numMergedOcc 0
27 mol 228 unq 19 iso 0 dist 7.95486 7.33564 9.05292 10.4968 8.20909 15.5389 numMergedOcc 0
28 mol 228 unq 20 iso 0 dist 7.95486 7.33564 9.05292 14.5051 7.94506 16.5019 numMergedOcc 0
29 mol 228 unq 21 iso 0 dist 7.95486 7.33564 9.05292 10.0847 8.15494 15.0615 numMergedOcc 0
30 mol 228 unq 22 iso 0 dist 4.42593 7.95486 8.22089 5.79543 9.06121 7.77367 numMergedOcc 0
31 mol 228 unq 23 iso 0 dist 4.42593 7.33564 4.63957 5.79543 9.06121 12.305 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 5.77356 9.24309 7.88539 5.27568 7.17676 6.68463 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 5.77356 9.24309 7.88539 7.77821 5.34718 10.5713 numMergedOcc 0
34 mol 236 unq 2 iso 0 dist 9.24309 5.77356 7.88539 5.27568 6.68463 7.17676 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.40309 7.87164 5.39292 7.01206 7.67322 12.3367 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 7.87164 6.40309 5.39292 14.8949 9.68513 10.7532 numMergedOcc 0
37 mol 238 unq 2 iso 0 dist 7.87164 6.40309 5.39292 11.2453 9.29858 12.1104 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 5.45375 9.9145 6.89348 6.01492 9.02188 10.5374 numMergedOcc 0
39 mol 293 unq 0 iso 0 dist 5.88449 7.2668 7.08365 5.67215 9.47908 9.97212 numMergedOcc 0
40 mol 293 unq 1 iso 0 dist 5.88449 7.2668 7.08365 11.4201 8.56847 14.1253 numMergedOcc 0
41 mol 293 unq 2 iso 0 dist 5.50284 8.88355 7.08365 6.91752 9.47908 9.97212 numMergedOcc 0
42 mol 293 unq 3 iso 0 dist 5.50284 8.88355 7.08365 5.66805 8.56847 14.1253 numMergedOcc 0
43 mol 293 unq 4 iso 0 dist 7.2668 5.88449 7.08365 5.67215 9.97212 9.47908 numMergedOcc 0
44 mol 293 unq 5 iso 0 dist 8.88355 5.50284 7.08365 6.91752 9.97212 9.47908 numMergedOcc 0
