0 mol 55 unq 0 iso 0 dist 8.03504 9.40104 7.87739 8.38443 6.65254 9.41439 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 7.87739 9.40104 8.03504 9.41439 6.65254 8.38443 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.03504 9.40104 7.87739 7.60951 8.97965 13.3483 numMergedOcc 0
3 mol 55 unq 1 iso 1 dist 7.87739 9.40104 8.03504 13.3483 8.97965 7.60951 numMergedOcc 0
4 mol 55 unq 2 iso 0 dist 8.03504 9.40104 7.87739 7.3265 8.94235 5.33255 numMergedOcc 0
5 mol 55 unq 2 iso 1 dist 7.87739 9.40104 8.03504 5.33255 8.94235 7.3265 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.45684 5.8441 7.76644 11.6779 8.75668 10.1207 numMergedOcc 0
7 mol 64 unq 0 iso 1 dist 7.76644 5.8441 5.45684 10.1207 8.75668 11.6779 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 5.45684 5.8441 7.76644 12.0048 9.64871 15.2828 numMergedOcc 0
9 mol 64 unq 1 iso 1 dist 7.76644 5.8441 5.45684 15.2828 9.64871 12.0048 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 5.45684 5.8441 7.76644 10.7116 9.95118 15.7534 numMergedOcc 0
11 mol 64 unq 2 iso 1 dist 7.76644 5.8441 5.45684 15.7534 9.95118 10.7116 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.7939 12.5626 8.44695 10.3774 7.23812 12.6626 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 8.44695 12.5626 6.7939 12.6626 7.23812 10.3774 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.7939 12.5626 8.44695 10.539 5.36012 7.03229 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 8.44695 12.5626 6.7939 7.03229 5.36012 10.539 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 6.7939 12.3241 5.68894 10.3774 7.23812 9.64124 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 5.68894 12.3241 6.7939 9.64124 7.23812 10.3774 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 6.7939 12.3241 5.68894 10.539 5.36012 4.91508 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 5.68894 12.3241 6.7939 4.91508 5.36012 10.539 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 6.85356 12.3241 7.32265 10.539 6.3777 4.91508 numMergedOcc 0
21 mol 73 unq 4 iso 1 dist 7.32265 12.3241 6.85356 4.91508 6.3777 10.539 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 8.44695 9.3197 5.68894 12.6626 7.23812 9.64124 numMergedOcc 0
23 mol 73 unq 2 iso 1 dist 5.68894 9.3197 8.44695 9.64124 7.23812 12.6626 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 8.44695 9.3197 5.68894 7.03229 5.36012 4.91508 numMergedOcc 0
25 mol 73 unq 3 iso 1 dist 5.68894 9.3197 8.44695 4.91508 5.36012 7.03229 numMergedOcc 0
26 mol 89 unq 0 iso 0 dist 6.86861 11.2593 9.1784 4.77072 9.6629 9.70567 numMergedOcc 0
27 mol 89 unq 0 iso 1 dist 9.1784 11.2593 6.86861 9.70567 9.6629 4.77072 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 9.82274 10.1263 9.02712 15.3123 9.1146 10.4303 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 9.02712 10.1263 9.82274 10.4303 9.1146 15.3123 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 5.50879 11.1396 6.69157 10.9993 8.50926 4.75264 numMergedOcc 0
31 mol 156 unq 0 iso 1 dist 6.69157 11.1396 5.50879 4.75264 8.50926 10.9993 numMergedOcc 0
32 mol 172 unq 0 iso 0 dist 7.44084 5.65773 5.28889 5.78278 5.44495 5.25252 numMergedOcc 0
33 mol 172 unq 0 iso 1 dist 5.28889 5.65773 7.44084 5.25252 5.44495 5.78278 numMergedOcc 0
34 mol 172 unq 1 iso 0 dist 7.44084 5.65773 5.28889 10.5031 9.54742 9.10992 numMergedOcc 0
35 mol 172 unq 1 iso 1 dist 5.28889 5.65773 7.44084 9.10992 9.54742 10.5031 numMergedOcc 0
36 mol 172 unq 2 iso 0 dist 7.77643 5.65773 4.90175 5.78278 9.18538 5.25252 numMergedOcc 0
37 mol 172 unq 2 iso 1 dist 4.90175 5.65773 7.77643 5.25252 9.18538 5.78278 numMergedOcc 0
38 mol 209 unq 0 iso 0 dist 8.8886 6.11542 8.78565 11.2558 9.62543 12.9345 numMergedOcc 0
39 mol 209 unq 0 iso 1 dist 8.78565 6.11542 8.8886 12.9345 9.62543 11.2558 numMergedOcc 0
40 mol 226 unq 0 iso 0 dist 8.24741 8.0668 5.07958 12.6212 9.30975 9.83787 numMergedOcc 0
41 mol 226 unq 0 iso 1 dist 5.07958 8.0668 8.24741 9.83787 9.30975 12.6212 numMergedOcc 0
42 mol 226 unq 1 iso 0 dist 8.24741 8.0668 5.07958 10.78 9.14028 11.3247 numMergedOcc 0
43 mol 226 unq 1 iso 1 dist 5.07958 8.0668 8.24741 11.3247 9.14028 10.78 numMergedOcc 0
44 mol 226 unq 2 iso 0 dist 8.24741 12.401 6.19519 12.6212 9.30975 6.6871 numMergedOcc 0
45 mol 226 unq 2 iso 1 dist 6.19519 12.401 8.24741 6.6871 9.30975 12.6212 numMergedOcc 0
46 mol 226 unq 3 iso 0 dist 8.24741 12.401 6.19519 10.78 9.14028 6.19485 numMergedOcc 0
47 mol 226 unq 3 iso 1 dist 6.19519 12.401 8.24741 6.19485 9.14028 10.78 numMergedOcc 0
48 mol 226 unq 2 iso 0 dist 5.07958 9.9701 6.19519 9.83787 9.30975 6.6871 numMergedOcc 0
49 mol 226 unq 2 iso 1 dist 6.19519 9.9701 5.07958 6.6871 9.30975 9.83787 numMergedOcc 0
50 mol 226 unq 3 iso 0 dist 5.07958 9.9701 6.19519 11.3247 9.14028 6.19485 numMergedOcc 0
51 mol 226 unq 3 iso 1 dist 6.19519 9.9701 5.07958 6.19485 9.14028 11.3247 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 7.449 5.02232 8.98789 5.56089 6.29774 8.75635 numMergedOcc 0
53 mol 239 unq 0 iso 1 dist 8.98789 5.02232 7.449 8.75635 6.29774 5.56089 numMergedOcc 0
54 mol 239 unq 1 iso 0 dist 7.449 5.02232 8.98789 7.18168 9.28258 5.85469 numMergedOcc 0
55 mol 239 unq 1 iso 1 dist 8.98789 5.02232 7.449 5.85469 9.28258 7.18168 numMergedOcc 0
56 mol 267 unq 0 iso 0 dist 5.72144 7.06028 6.79491 6.40111 9.44648 5.75453 numMergedOcc 0
57 mol 267 unq 0 iso 1 dist 6.79491 7.06028 5.72144 5.75453 9.44648 6.40111 numMergedOcc 0
58 mol 274 unq 0 iso 0 dist 8.76302 11.9584 9.11322 6.00593 8.41236 12.4287 numMergedOcc 0
59 mol 274 unq 0 iso 1 dist 9.11322 11.9584 8.76302 12.4287 8.41236 6.00593 numMergedOcc 0
