0 mol 1 unq 0 iso 0 dist 9.40282 9.35554 13.3466 8.93702 5.11735 9.01967 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 9.35554 9.40282 13.3466 8.93702 9.01967 5.11735 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.81762 5.32149 7.14832 8.95573 4.71158 8.70343 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 5.32149 8.81762 7.14832 8.95573 8.70343 4.71158 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 9.2978 7.37356 10.1903 8.25905 5.01478 7.04695 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 7.37356 9.2978 10.1903 8.25905 7.04695 5.01478 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 7.84444 8.01951 12.2025 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 8.90024 6.84521 5.06502 7.84444 12.2025 8.01951 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 6.84521 6.78532 5.89973 7.84444 8.01951 7.68348 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 6.78532 6.84521 5.89973 7.84444 7.68348 8.01951 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 7.84444 12.2025 7.68348 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 6.78532 8.90024 6.45462 7.84444 7.68348 12.2025 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 5.48831 9.39178 5.82403 7.95972 7.17489 12.6531 numMergedOcc 0
13 mol 72 unq 0 iso 1 dist 9.39178 5.48831 5.82403 7.95972 12.6531 7.17489 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 9.25901 7.96299 9.36098 6.88603 9.06747 9.85676 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 7.96299 9.25901 9.36098 6.88603 9.85676 9.06747 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 9.62702 10.9381 7.17408 numMergedOcc 0
17 mol 92 unq 0 iso 1 dist 6.70686 9.96446 5.04493 9.62702 7.17408 10.9381 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 9.96446 6.70686 5.04493 6.97484 12.1976 10.944 numMergedOcc 0
19 mol 92 unq 1 iso 1 dist 6.70686 9.96446 5.04493 6.97484 10.944 12.1976 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 6.85365 12.8768 6.35364 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 7.42474 8.86938 14.5975 6.85365 6.35364 12.8768 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 4.95674 12.0863 9.53782 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 9.00172 8.66715 8.18495 4.95674 9.53782 12.0863 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.31276 5.79157 11.6064 5.98435 5.31077 6.74887 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 5.79157 8.31276 11.6064 5.98435 6.74887 5.31077 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.31276 5.79157 11.6064 8.80672 14.0644 12.6989 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 5.79157 8.31276 11.6064 8.80672 12.6989 14.0644 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.31276 5.50687 13.7309 5.98435 5.31077 10.9715 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 5.50687 8.31276 13.7309 5.98435 10.9715 5.31077 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 8.31276 5.50687 13.7309 8.80672 14.0644 8.96357 numMergedOcc 0
31 mol 134 unq 3 iso 1 dist 5.50687 8.31276 13.7309 8.80672 8.96357 14.0644 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 8.31276 7.30919 14.069 5.98435 5.31077 11.4638 numMergedOcc 0
33 mol 134 unq 4 iso 1 dist 7.30919 8.31276 14.069 5.98435 11.4638 5.31077 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 8.31276 7.30919 14.069 8.80672 14.0644 5.9915 numMergedOcc 0
35 mol 134 unq 5 iso 1 dist 7.30919 8.31276 14.069 8.80672 5.9915 14.0644 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 5.79157 5.50687 7.09823 5.98435 6.74887 10.9715 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 5.50687 5.79157 7.09823 5.98435 10.9715 6.74887 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 5.79157 5.50687 7.09823 8.80672 12.6989 8.96357 numMergedOcc 0
39 mol 134 unq 3 iso 1 dist 5.50687 5.79157 7.09823 8.80672 8.96357 12.6989 numMergedOcc 0
40 mol 134 unq 4 iso 0 dist 5.79157 7.30919 8.25185 5.98435 6.74887 11.4638 numMergedOcc 0
41 mol 134 unq 4 iso 1 dist 7.30919 5.79157 8.25185 5.98435 11.4638 6.74887 numMergedOcc 0
42 mol 134 unq 5 iso 0 dist 5.79157 7.30919 8.25185 8.80672 12.6989 5.9915 numMergedOcc 0
43 mol 134 unq 5 iso 1 dist 7.30919 5.79157 8.25185 8.80672 5.9915 12.6989 numMergedOcc 0
44 mol 134 unq 4 iso 0 dist 5.50687 7.30919 6.90348 5.98435 10.9715 11.4638 numMergedOcc 0
45 mol 134 unq 4 iso 1 dist 7.30919 5.50687 6.90348 5.98435 11.4638 10.9715 numMergedOcc 0
46 mol 134 unq 5 iso 0 dist 5.50687 7.30919 6.90348 8.80672 8.96357 5.9915 numMergedOcc 0
47 mol 134 unq 5 iso 1 dist 7.30919 5.50687 6.90348 8.80672 5.9915 8.96357 numMergedOcc 0
48 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 5.81632 5.83431 6.53652 numMergedOcc 0
49 mol 154 unq 0 iso 1 dist 7.34207 6.44195 9.41666 5.81632 6.53652 5.83431 numMergedOcc 0
50 mol 167 unq 0 iso 0 dist 7.9895 6.53913 9.36756 9.4422 6.06723 6.58937 numMergedOcc 0
51 mol 167 unq 0 iso 1 dist 6.53913 7.9895 9.36756 9.4422 6.58937 6.06723 numMergedOcc 0
52 mol 172 unq 0 iso 0 dist 7.63635 9.94649 10.4836 7.69618 6.11217 9.12206 numMergedOcc 0
53 mol 172 unq 0 iso 1 dist 9.94649 7.63635 10.4836 7.69618 9.12206 6.11217 numMergedOcc 0
54 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 6.58245 5.2908 6.23998 numMergedOcc 0
55 mol 197 unq 0 iso 1 dist 9.96544 6.18446 5.43601 6.58245 6.23998 5.2908 numMergedOcc 0
56 mol 206 unq 0 iso 0 dist 5.82039 6.22964 7.08143 8.65687 4.8585 5.94313 numMergedOcc 0
57 mol 206 unq 0 iso 1 dist 6.22964 5.82039 7.08143 8.65687 5.94313 4.8585 numMergedOcc 0
58 mol 236 unq 0 iso 0 dist 9.07222 9.09998 5.84541 7.05868 8.192 6.90372 numMergedOcc 0
59 mol 236 unq 0 iso 1 dist 9.09998 9.07222 5.84541 7.05868 6.90372 8.192 numMergedOcc 0
60 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 9.15288 4.27792 14.2479 numMergedOcc 0
61 mol 266 unq 0 iso 1 dist 9.61741 6.95233 13.0015 9.15288 14.2479 4.27792 numMergedOcc 0
62 mol 266 unq 1 iso 0 dist 6.95233 9.61741 13.0015 6.11795 11.5523 6.98866 numMergedOcc 0
63 mol 266 unq 1 iso 1 dist 9.61741 6.95233 13.0015 6.11795 6.98866 11.5523 numMergedOcc 0
64 mol 266 unq 2 iso 0 dist 6.95233 5.61056 7.49927 9.15288 4.27792 10.5058 numMergedOcc 0
65 mol 266 unq 2 iso 1 dist 5.61056 6.95233 7.49927 9.15288 10.5058 4.27792 numMergedOcc 0
66 mol 266 unq 3 iso 0 dist 6.95233 5.61056 7.49927 6.11795 11.5523 5.19574 numMergedOcc 0
67 mol 266 unq 3 iso 1 dist 5.61056 6.95233 7.49927 6.11795 5.19574 11.5523 numMergedOcc 0
68 mol 266 unq 2 iso 0 dist 9.61741 5.61056 7.0568 9.15288 14.2479 10.5058 numMergedOcc 0
69 mol 266 unq 2 iso 1 dist 5.61056 9.61741 7.0568 9.15288 10.5058 14.2479 numMergedOcc 0
70 mol 266 unq 3 iso 0 dist 9.61741 5.61056 7.0568 6.11795 6.98866 5.19574 numMergedOcc 0
71 mol 266 unq 3 iso 1 dist 5.61056 9.61741 7.0568 6.11795 5.19574 6.98866 numMergedOcc 0
