0 mol 8 unq 0 iso 0 dist 9.59644 10.0118 5.46588 6.27069 6.52138 4.32141 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 8.45063 10.7583 7.64235 3.84207 7.7727 9.02592 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 8.45063 6.24565 6.00623 3.84207 7.7727 5.05474 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 8.45063 5.14132 6.59367 3.84207 7.7727 7.42205 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.05728 6.43732 9.38206 11.3291 7.99434 8.2052 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.04543 6.00428 5.53875 5.40127 7.21223 6.80028 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.62107 6.73587 5.53875 3.58191 7.21223 6.80028 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 5.41134 8.85727 8.10708 5.96516 8.185 7.57153 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.61357 4.07863 8.10708 7.53537 8.185 7.57153 numMergedOcc 0
9 mol 59 unq 2 iso 0 dist 9.23605 8.85727 9.20253 5.96516 6.68153 7.57153 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.73908 3.89794 8.18002 7.27578 5.26566 8.14072 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 5.73908 3.89794 8.18002 5.66182 6.27118 4.262 numMergedOcc 0
12 mol 68 unq 2 iso 0 dist 5.73908 9.05937 7.07032 7.27578 5.26566 5.54348 numMergedOcc 0
13 mol 68 unq 3 iso 0 dist 5.73908 9.05937 7.07032 5.66182 6.27118 3.9061 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.53726 4.43947 8.15236 11.0283 6.34669 12.2134 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 5.53726 11.8016 8.24447 11.0283 6.34669 4.07336 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.28415 7.03121 7.82011 15.6885 9.57243 10.3318 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.28415 7.03121 7.82011 7.06015 8.12558 4.48264 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 9.8446 12.6809 8.4082 3.36546 9.98689 13.398 numMergedOcc 0
19 mol 165 unq 1 iso 0 dist 9.8446 12.6809 8.4082 14.9166 5.93144 7.59874 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 7.7013 4.65504 7.77669 3.47137 8.06007 3.63393 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.31333 9.58526 5.80433 12.2056 8.99777 4.30589 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.31333 11.0885 6.8285 12.2056 8.99777 8.75635 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.40718 7.96412 9.01377 16.6893 8.77524 14.6896 numMergedOcc 0
24 mol 217 unq 0 iso 0 dist 8.72578 6.00114 5.60554 8.03625 7.94351 4.23392 numMergedOcc 0
25 mol 219 unq 0 iso 0 dist 7.26376 6.16486 9.38761 5.23281 8.58891 9.62023 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 8.99368 4.38445 6.45422 10.0331 8.99666 7.41325 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 8.55211 10.3966 7.58405 9.04755 6.90472 6.03233 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 8.55211 5.51525 7.26115 9.04755 6.90472 7.66564 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 7.38085 6.75411 6.52635 3.64298 9.87477 10.2516 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 9.80002 14.2814 6.59786 14.1095 8.13393 3.40141 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 9.80002 17.5382 7.96519 14.1095 8.13393 9.36978 numMergedOcc 0
32 mol 273 unq 2 iso 0 dist 6.73794 9.11005 6.59786 10.5232 8.13393 3.40141 numMergedOcc 0
33 mol 273 unq 3 iso 0 dist 6.73794 13.7838 7.96519 10.5232 8.13393 9.36978 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 5.76796 5.49583 7.61398 10.1123 7.08681 13.7458 numMergedOcc 0
35 mol 285 unq 1 iso 0 dist 5.76796 5.49583 7.61398 7.01472 4.95596 5.88535 numMergedOcc 0
36 mol 285 unq 2 iso 0 dist 5.76796 5.49583 7.61398 11.0045 6.3508 10.021 numMergedOcc 0
37 mol 285 unq 3 iso 0 dist 5.76796 5.49583 7.61398 8.2602 8.3005 3.73773 numMergedOcc 0
38 mol 293 unq 0 iso 0 dist 6.97887 4.37303 5.88449 5.93756 7.15948 5.66577 numMergedOcc 0
39 mol 293 unq 1 iso 0 dist 6.97887 11.0749 7.2668 5.93756 7.15948 10.547 numMergedOcc 0
40 mol 293 unq 2 iso 0 dist 4.66962 4.37303 7.44889 5.93756 6.52792 5.66577 numMergedOcc 0
