0 mol 0 unq 0 iso 0 dist 9.72725 10.5877 5.88757 14.2251 8.66548 8.8123 9.64573 6.94943 4.62412 5.96303 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.72725 14.2251 8.66548 10.5877 5.88757 8.8123 9.64573 6.94943 5.96303 4.62412 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.8245 8.27962 9.71516 11.4878 9.81658 5.80437 3.98483 7.05919 7.98363 10.4204 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 5.8245 11.4878 9.81658 8.27962 9.71516 5.80437 3.98483 7.05919 10.4204 7.98363 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 6.10146 9.96121 14.531 5.30734 6.38243 14.3325 8.13684 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 9.12845 6.10146 9.96121 14.1424 9.06516 14.531 5.30734 6.38243 8.13684 14.3325 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 6.24711 5.32981 7.08559 8.90278 8.63635 12.6781 14.0576 9.58596 16.1649 8.15141 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 6.24711 8.90278 8.63635 5.32981 7.08559 12.6781 14.0576 9.58596 8.15141 16.1649 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95212 10.3457 6.13374 16.7975 9.08536 8.58342 13.52 9.57341 11.1324 8.96522 numMergedOcc 0
9 mol 119 unq 0 iso 1 dist 8.95212 16.7975 9.08536 10.3457 6.13374 8.58342 13.52 9.57341 8.96522 11.1324 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 6.99446 6.35763 6.13374 7.36192 9.08536 8.58342 4.99056 9.57341 11.1324 8.96522 numMergedOcc 0
11 mol 119 unq 1 iso 1 dist 6.99446 7.36192 9.08536 6.35763 6.13374 8.58342 4.99056 9.57341 8.96522 11.1324 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 7.64052 10.0197 6.13374 10.6679 9.08536 8.58342 3.78311 9.57341 11.1324 8.96522 numMergedOcc 0
13 mol 119 unq 2 iso 1 dist 7.64052 10.6679 9.08536 10.0197 6.13374 8.58342 3.78311 9.57341 8.96522 11.1324 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.08349 10.7113 5.73591 11.4491 8.55345 4.74813 4.59567 8.54702 8.5129 7.96876 numMergedOcc 0
15 mol 224 unq 0 iso 1 dist 8.08349 11.4491 8.55345 10.7113 5.73591 4.74813 4.59567 8.54702 7.96876 8.5129 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 9.78218 11.4252 5.73591 9.14568 8.55345 4.74813 9.48743 8.54702 8.5129 7.96876 numMergedOcc 0
17 mol 224 unq 1 iso 1 dist 9.78218 9.14568 8.55345 11.4252 5.73591 4.74813 9.48743 8.54702 7.96876 8.5129 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 7.12954 9.59574 15.6443 17.0241 9.57955 16.9887 15.7166 numMergedOcc 0
19 mol 225 unq 0 iso 1 dist 8.1945 7.12954 9.59574 10.7506 8.91356 15.6443 17.0241 9.57955 15.7166 16.9887 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 8.1945 10.7506 8.91356 7.12954 9.59574 15.6443 16.6392 9.87668 8.99405 18.6744 numMergedOcc 0
21 mol 225 unq 1 iso 1 dist 8.1945 7.12954 9.59574 10.7506 8.91356 15.6443 16.6392 9.87668 18.6744 8.99405 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 6.50998 8.69249 8.91356 14.2819 9.59574 15.6443 10.6484 9.57955 16.9887 15.7166 numMergedOcc 0
23 mol 225 unq 2 iso 1 dist 6.50998 14.2819 9.59574 8.69249 8.91356 15.6443 10.6484 9.57955 15.7166 16.9887 numMergedOcc 0
24 mol 225 unq 3 iso 0 dist 6.50998 8.69249 8.91356 14.2819 9.59574 15.6443 4.76151 9.87668 8.99405 18.6744 numMergedOcc 0
25 mol 225 unq 3 iso 1 dist 6.50998 14.2819 9.59574 8.69249 8.91356 15.6443 4.76151 9.87668 18.6744 8.99405 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 15.015 9.49229 12.4341 11.113 9.08151 8.16702 9.70708 numMergedOcc 0
27 mol 234 unq 0 iso 1 dist 7.81215 15.015 9.49229 5.56749 9.11572 12.4341 11.113 9.08151 9.70708 8.16702 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 7.81215 5.56749 9.11572 12.1076 7.20293 10.9755 11.113 9.08151 8.16702 11.7632 numMergedOcc 0
29 mol 234 unq 1 iso 1 dist 7.81215 12.1076 7.20293 5.56749 9.11572 10.9755 11.113 9.08151 11.7632 8.16702 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 7.81215 15.015 9.49229 12.1076 7.20293 5.6054 11.113 9.08151 9.70708 11.7632 numMergedOcc 0
31 mol 234 unq 1 iso 1 dist 7.81215 12.1076 7.20293 15.015 9.49229 5.6054 11.113 9.08151 11.7632 9.70708 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 5.64285 8.0608 9.11572 5.34613 9.49229 12.4341 5.52595 9.08151 8.16702 9.70708 numMergedOcc 0
33 mol 234 unq 2 iso 1 dist 5.64285 5.34613 9.49229 8.0608 9.11572 12.4341 5.52595 9.08151 9.70708 8.16702 numMergedOcc 0
34 mol 234 unq 3 iso 0 dist 5.64285 8.0608 9.11572 6.29366 7.20293 10.9755 5.52595 9.08151 8.16702 11.7632 numMergedOcc 0
35 mol 234 unq 3 iso 1 dist 5.64285 6.29366 7.20293 8.0608 9.11572 10.9755 5.52595 9.08151 11.7632 8.16702 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 5.64285 5.34613 9.49229 6.29366 7.20293 5.6054 5.52595 9.08151 9.70708 11.7632 numMergedOcc 0
37 mol 234 unq 3 iso 1 dist 5.64285 6.29366 7.20293 5.34613 9.49229 5.6054 5.52595 9.08151 11.7632 9.70708 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 6.35028 5.14235 8.92667 7.69081 6.0283 6.95 6.15987 5.81528 8.12656 4.66909 numMergedOcc 0
39 mol 279 unq 0 iso 1 dist 6.35028 7.69081 6.0283 5.14235 8.92667 6.95 6.15987 5.81528 4.66909 8.12656 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 9.9182 9.98079 9.08193 18.0293 8.73515 12.8693 16.2289 9.84946 8.27109 6.67435 numMergedOcc 0
41 mol 292 unq 0 iso 1 dist 9.9182 18.0293 8.73515 9.98079 9.08193 12.8693 16.2289 9.84946 6.67435 8.27109 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 7.30758 5.07048 9.08193 12.1551 8.73515 12.8693 9.84292 9.84946 8.27109 6.67435 numMergedOcc 0
43 mol 292 unq 1 iso 1 dist 7.30758 12.1551 8.73515 5.07048 9.08193 12.8693 9.84292 9.84946 6.67435 8.27109 numMergedOcc 0
44 mol 292 unq 2 iso 0 dist 9.10788 10.0311 9.08193 10.8709 8.73515 12.8693 8.96137 9.84946 8.27109 6.67435 numMergedOcc 0
45 mol 292 unq 2 iso 1 dist 9.10788 10.8709 8.73515 10.0311 9.08193 12.8693 8.96137 9.84946 6.67435 8.27109 numMergedOcc 0
