0 mol 18 unq 0 iso 0 dist 6.41856 8.51213 10.1903 8.35401 3.96312 13.06 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.51213 6.41856 10.1903 8.35401 13.06 3.96312 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.70612 6.46781 5.64331 6.12374 10.622 6.10572 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 6.46781 9.70612 5.64331 6.12374 6.10572 10.622 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 9.70612 8.19077 12.0651 6.12374 10.622 4.40004 numMergedOcc 0
5 mol 38 unq 1 iso 1 dist 8.19077 9.70612 12.0651 6.12374 4.40004 10.622 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 6.46781 8.19077 6.52757 6.12374 6.10572 4.40004 numMergedOcc 0
7 mol 38 unq 1 iso 1 dist 8.19077 6.46781 6.52757 6.12374 4.40004 6.10572 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.99509 8.47617 5.06502 7.86479 11.2061 8.6477 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 8.47617 8.99509 5.06502 7.86479 8.6477 11.2061 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.99509 5.73331 5.89973 7.86479 11.2061 6.33831 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 5.73331 8.99509 5.89973 7.86479 6.33831 11.2061 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 8.99509 8.48694 11.1644 7.86479 11.2061 4.46233 numMergedOcc 0
13 mol 43 unq 2 iso 1 dist 8.48694 8.99509 11.1644 7.86479 4.46233 11.2061 numMergedOcc 0
14 mol 43 unq 1 iso 0 dist 8.47617 5.73331 6.45462 7.86479 8.6477 6.33831 numMergedOcc 0
15 mol 43 unq 1 iso 1 dist 5.73331 8.47617 6.45462 7.86479 6.33831 8.6477 numMergedOcc 0
16 mol 43 unq 2 iso 0 dist 8.47617 8.48694 10.5986 7.86479 8.6477 4.46233 numMergedOcc 0
17 mol 43 unq 2 iso 1 dist 8.48694 8.47617 10.5986 7.86479 4.46233 8.6477 numMergedOcc 0
18 mol 43 unq 2 iso 0 dist 5.73331 8.48694 5.46146 7.86479 6.33831 4.46233 numMergedOcc 0
19 mol 43 unq 2 iso 1 dist 8.48694 5.73331 5.46146 7.86479 4.46233 6.33831 numMergedOcc 0
20 mol 89 unq 0 iso 0 dist 5.25504 7.84991 6.88931 5.65453 6.13636 4.16955 numMergedOcc 0
21 mol 89 unq 0 iso 1 dist 7.84991 5.25504 6.88931 5.65453 4.16955 6.13636 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 6.76166 7.2977 7.93571 9.13631 11.5407 5.91192 numMergedOcc 0
23 mol 134 unq 0 iso 1 dist 7.2977 6.76166 7.93571 9.13631 5.91192 11.5407 numMergedOcc 0
24 mol 146 unq 0 iso 0 dist 8.53451 7.24965 6.28062 6.76896 12.6805 8.33152 numMergedOcc 0
25 mol 146 unq 0 iso 1 dist 7.24965 8.53451 6.28062 6.76896 8.33152 12.6805 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 7.4653 7.95564 7.63992 8.10157 10.5361 8.88819 numMergedOcc 0
27 mol 147 unq 0 iso 1 dist 7.95564 7.4653 7.63992 8.10157 8.88819 10.5361 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 6.32876 9.25604 13.7051 7.96394 6.18464 14.3561 numMergedOcc 0
29 mol 156 unq 0 iso 1 dist 9.25604 6.32876 13.7051 7.96394 14.3561 6.18464 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 6.32876 9.25604 13.7051 8.01381 7.03671 9.53971 numMergedOcc 0
31 mol 156 unq 1 iso 1 dist 9.25604 6.32876 13.7051 8.01381 9.53971 7.03671 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.50454 7.15963 11.9017 9.19831 4.61184 9.83826 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 7.15963 9.50454 11.9017 9.19831 9.83826 4.61184 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 8.84116 8.16369 7.03008 9.22792 12.9384 13.6489 numMergedOcc 0
35 mol 186 unq 0 iso 1 dist 8.16369 8.84116 7.03008 9.22792 13.6489 12.9384 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 8.84116 8.16369 7.03008 7.85696 9.34394 12.4503 numMergedOcc 0
37 mol 186 unq 1 iso 1 dist 8.16369 8.84116 7.03008 7.85696 12.4503 9.34394 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 8.84116 8.16369 7.03008 5.00402 9.61375 11.5563 numMergedOcc 0
39 mol 186 unq 2 iso 1 dist 8.16369 8.84116 7.03008 5.00402 11.5563 9.61375 numMergedOcc 0
40 mol 186 unq 3 iso 0 dist 8.84116 8.16369 7.03008 6.17773 6.03488 10.3727 numMergedOcc 0
41 mol 186 unq 3 iso 1 dist 8.16369 8.84116 7.03008 6.17773 10.3727 6.03488 numMergedOcc 0
42 mol 196 unq 0 iso 0 dist 4.97115 9.45804 10.8061 4.48862 4.53084 11.522 numMergedOcc 0
43 mol 196 unq 0 iso 1 dist 9.45804 4.97115 10.8061 4.48862 11.522 4.53084 numMergedOcc 0
44 mol 196 unq 1 iso 0 dist 4.97115 9.8486 13.8566 4.48862 4.53084 13.0429 numMergedOcc 0
45 mol 196 unq 1 iso 1 dist 9.8486 4.97115 13.8566 4.48862 13.0429 4.53084 numMergedOcc 0
46 mol 196 unq 2 iso 0 dist 4.97115 7.23126 10.2747 4.48862 4.53084 11.5807 numMergedOcc 0
47 mol 196 unq 2 iso 1 dist 7.23126 4.97115 10.2747 4.48862 11.5807 4.53084 numMergedOcc 0
48 mol 196 unq 1 iso 0 dist 9.45804 9.8486 7.29928 4.48862 11.522 13.0429 numMergedOcc 0
49 mol 196 unq 1 iso 1 dist 9.8486 9.45804 7.29928 4.48862 13.0429 11.522 numMergedOcc 0
50 mol 196 unq 2 iso 0 dist 9.45804 7.23126 11.8114 4.48862 11.522 11.5807 numMergedOcc 0
51 mol 196 unq 2 iso 1 dist 7.23126 9.45804 11.8114 4.48862 11.5807 11.522 numMergedOcc 0
52 mol 196 unq 2 iso 0 dist 9.8486 7.23126 10.1707 4.48862 13.0429 11.5807 numMergedOcc 0
53 mol 196 unq 2 iso 1 dist 7.23126 9.8486 10.1707 4.48862 11.5807 13.0429 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 6.15754 8.9413 5.88703 6.39499 5.53885 3.95629 numMergedOcc 0
55 mol 234 unq 0 iso 1 dist 8.9413 6.15754 5.88703 6.39499 3.95629 5.53885 numMergedOcc 0
56 mol 243 unq 0 iso 0 dist 8.69557 9.39147 10.2411 8.8602 5.71505 11.8376 numMergedOcc 0
57 mol 243 unq 0 iso 1 dist 9.39147 8.69557 10.2411 8.8602 11.8376 5.71505 numMergedOcc 0
