0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 16.7488 12.5077 6.44287 8.38394 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 15.1595 10.5523 8.13395 8.80331 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 15.1595 14.7803 8.13395 8.80331 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 16.2101 15.2973 10.6169 9.4099 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7388 6.87425 7.47541 10.8225 11.2656 6.9948 7.97049 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 14.1017 15.309 10.7229 7.95579 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 10.8225 11.2656 6.9948 6.19965 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 22.5988 16.9836 16.6055 9.03572 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 24.1089 16.9811 13.8105 8.83255 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 24.4415 16.9836 16.6055 9.03572 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 22.951 16.9811 13.8105 8.83255 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 6.86762 5.83991 7.69052 7.88312 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 10.3475 9.33865 7.69052 6.11741 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 17.2604 13.8473 10.8507 7.30858 numMergedOcc 0
14 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 6.8104 6.11741 8.02349 7.88312 numMergedOcc 0
15 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 17.2604 13.8473 11.5723 7.30858 numMergedOcc 0
16 mol 115 unq 5 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 10.0419 9.33865 8.02349 5.83991 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 10.7342 16.5575 7.22206 7.83136 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 14.3217 17.163 9.3584 7.0603 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 12.2159 9.56949 9.52634 4.82833 9.66421 6.69554 9.91388 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 9.05674 4.32516 6.5107 12.2159 9.56949 9.52634 8.58958 12.0352 7.6656 7.24514 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 6.53153 5.78974 9.91388 6.29975 6.69554 9.52634 4.90674 9.66421 9.56949 6.5107 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 6.53153 5.78974 9.91388 8.29673 6.761 7.24514 9.35671 10.0372 6.65743 8.22656 numMergedOcc 0
23 mol 133 unq 4 iso 0 dist 6.29975 5.78974 9.52634 8.29673 7.6656 7.24514 9.35671 13.4163 6.65743 8.22656 numMergedOcc 0
24 mol 133 unq 5 iso 0 dist 8.29673 5.78974 7.24514 6.29975 7.6656 9.52634 4.90674 12.0352 9.56949 6.5107 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 14.8573 10.399 7.65448 8.56324 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 4.82496 8.87437 5.49936 7.16148 numMergedOcc 0
27 mol 152 unq 2 iso 0 dist 9.37459 8.41711 5.87555 6.00061 5.54906 8.67331 4.82496 8.87437 5.49936 8.05741 numMergedOcc 0
28 mol 152 unq 3 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 14.8573 10.399 10.6875 8.56324 numMergedOcc 0
29 mol 152 unq 4 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 8.41711 5.87555 5.49936 6.70283 numMergedOcc 0
30 mol 152 unq 5 iso 0 dist 9.37459 4.82496 8.87437 6.00061 5.54906 8.05741 8.41711 5.87555 5.49936 8.67331 numMergedOcc 0
31 mol 152 unq 6 iso 0 dist 9.0847 8.41711 6.70283 9.37459 5.42328 5.87555 4.82496 7.16148 5.49936 8.87437 numMergedOcc 0
32 mol 152 unq 7 iso 0 dist 9.0847 8.41711 6.70283 6.00061 6.4896 8.67331 4.82496 7.16148 5.49936 8.05741 numMergedOcc 0
33 mol 152 unq 8 iso 0 dist 9.0847 4.82496 7.16148 9.37459 5.42328 8.87437 8.41711 6.70283 5.49936 5.87555 numMergedOcc 0
34 mol 152 unq 9 iso 0 dist 9.0847 4.82496 7.16148 6.00061 6.4896 8.05741 8.41711 6.70283 5.49936 8.67331 numMergedOcc 0
35 mol 152 unq 10 iso 0 dist 6.00061 8.41711 8.67331 9.37459 5.54906 5.87555 4.82496 8.05741 5.49936 8.87437 numMergedOcc 0
36 mol 152 unq 11 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 14.8573 14.1618 7.65448 8.56324 numMergedOcc 0
37 mol 152 unq 12 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 4.82496 8.05741 5.49936 7.16148 numMergedOcc 0
38 mol 152 unq 13 iso 0 dist 6.00061 4.82496 8.05741 9.37459 5.54906 8.87437 8.41711 8.67331 5.49936 5.87555 numMergedOcc 0
39 mol 152 unq 14 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 14.8573 14.1618 10.6875 8.56324 numMergedOcc 0
40 mol 152 unq 15 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 8.41711 8.67331 5.49936 6.70283 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 12.5882 6.2715 5.6234 8.63795 7.652 7.42466 9.92231 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 7.94593 8.63795 7.652 12.5882 6.2715 9.92231 13.2723 9.0018 7.42466 5.6234 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 7.51923 5.63422 9.774 5.39127 11.1804 10.4 8.02137 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.7326 4.70378 6.57273 11.8576 9.99123 5.0744 6.60589 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 11.8576 9.99123 5.0744 9.16166 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 14.6141 14.0676 5.60236 5.81334 numMergedOcc 0
47 mol 224 unq 3 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 10.5254 9.99123 4.70378 8.95269 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 15.1783 9.16166 8.49799 5.78342 numMergedOcc 0
49 mol 224 unq 5 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 10.5254 9.99123 11.5372 8.95269 numMergedOcc 0
50 mol 224 unq 6 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 8.1404 6.60589 8.49799 6.57273 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 8.52933 10.568 9.06952 13.4598 6.84129 7.03423 16.0121 13.2905 5.57838 8.22528 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 12.069 7.82322 9.36357 9.25445 9.45496 5.88703 6.7625 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 7.17032 9.25445 9.45496 12.069 7.82322 6.7625 5.44278 6.56247 5.88703 9.36357 numMergedOcc 0
54 mol 234 unq 2 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 14.0876 9.36357 7.82322 6.7625 numMergedOcc 0
55 mol 234 unq 3 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 12.4455 6.56247 7.82322 9.45496 numMergedOcc 0
56 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 13.9869 9.36357 7.82322 6.7625 numMergedOcc 0
57 mol 234 unq 5 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 10.0624 6.56247 7.82322 9.45496 numMergedOcc 0
58 mol 234 unq 6 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 11.8245 12.9605 6.29886 8.34494 numMergedOcc 0
59 mol 234 unq 7 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 14.0876 6.7625 7.82322 9.36357 numMergedOcc 0
60 mol 234 unq 8 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 11.8245 12.9605 12.1694 8.34494 numMergedOcc 0
61 mol 234 unq 9 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 12.4455 9.45496 7.82322 6.56247 numMergedOcc 0
62 mol 234 unq 10 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 15.5616 12.9605 6.29886 8.34494 numMergedOcc 0
63 mol 234 unq 11 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 4.98993 6.7625 7.82322 9.36357 numMergedOcc 0
64 mol 234 unq 12 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 15.5616 12.9605 12.1694 8.34494 numMergedOcc 0
65 mol 234 unq 13 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 11.5103 9.45496 7.82322 6.56247 numMergedOcc 0
66 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 13.3575 7.68742 5.79505 6.84306 numMergedOcc 0
67 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 5.03598 6.27581 9.90963 9.99038 numMergedOcc 0
68 mol 236 unq 2 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 15.1659 13.499 6.96005 9.78037 numMergedOcc 0
69 mol 236 unq 3 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 10.2037 11.2141 14.2337 8.35971 numMergedOcc 0
70 mol 236 unq 4 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 13.7629 9.81562 5.79505 8.03456 numMergedOcc 0
71 mol 236 unq 5 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 5.03598 6.27581 11.3368 9.99038 numMergedOcc 0
72 mol 236 unq 6 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 15.1659 13.499 11.8739 9.78037 numMergedOcc 0
73 mol 236 unq 7 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 10.2037 11.2141 14.7998 8.35971 numMergedOcc 0
74 mol 236 unq 8 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.7629 9.81562 9.90963 8.03456 numMergedOcc 0
75 mol 236 unq 9 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.3575 7.68742 11.3368 6.84306 numMergedOcc 0
76 mol 236 unq 10 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 15.1659 13.499 11.1557 9.78037 numMergedOcc 0
77 mol 236 unq 11 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 10.2037 11.2141 10.7497 8.35971 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 6.08432 9.95973 4.86771 7.84554 numMergedOcc 0
79 mol 259 unq 1 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 10.3156 10.3935 6.96053 7.46176 numMergedOcc 0
80 mol 259 unq 2 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 9.55719 12.6839 10.4881 9.18903 numMergedOcc 0
81 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 5.48552 10.5767 10.582 8.53687 numMergedOcc 0
82 mol 261 unq 0 iso 0 dist 6.68878 4.31412 6.05727 6.85589 4.63549 8.43057 5.85483 10.0703 10.1239 7.73141 numMergedOcc 0
