0 mol 7 unq 0 iso 0 dist 8.75465 8.00249 4.80709 15.0884 9.87885 14.1836 6.3236 6.1206 7.67927 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.00249 8.75465 4.80709 6.3236 7.67927 6.1206 15.0884 14.1836 9.87885 13.2247 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 14.0586 7.27472 17.003 9.67461 9.33482 5.68215 12.3067 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.04448 8.48944 11.9756 9.67461 5.68215 9.33482 14.0586 17.003 7.27472 12.3067 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.48944 6.6834 13.4516 14.0586 7.27472 16.707 13.4994 17.9275 7.95042 19.2131 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.6834 8.48944 13.4516 13.4994 7.95042 17.9275 14.0586 16.707 7.27472 19.2131 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.04448 6.6834 10.7501 9.67461 5.68215 10.9113 13.4994 12.5088 7.95042 11.4989 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 6.6834 9.04448 10.7501 13.4994 7.95042 12.5088 9.67461 10.9113 5.68215 11.4989 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.57607 6.1991 6.27231 8.68514 7.7152 10.0848 4.16047 8.27883 5.75428 6.59884 numMergedOcc 0
9 mol 95 unq 0 iso 1 dist 6.1991 8.57607 6.27231 4.16047 5.75428 8.27883 8.68514 10.0848 7.7152 6.59884 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.57607 5.96246 11.734 8.68514 7.7152 14.2618 4.16047 8.27883 8.57395 6.59884 numMergedOcc 0
11 mol 95 unq 1 iso 1 dist 5.96246 8.57607 11.734 4.16047 8.57395 8.27883 8.68514 14.2618 7.7152 6.59884 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 5.90686 9.81956 5.10496 18.6405 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 15.3018 14.0897 9.64383 18.6405 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 11.2946 10.8223 5.92242 14.7899 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 6.37954 5.91797 6.70343 11.2946 5.92242 10.8223 15.3018 14.0897 9.64383 14.7899 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 9.41666 7.54889 5.2571 13.659 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 15.3018 14.0897 9.64383 13.659 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 5.91797 6.37954 6.70343 15.3018 9.64383 14.0897 9.57791 7.78931 8.7497 14.591 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 15.3018 14.0897 9.64383 14.591 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 5.90686 9.81956 5.10496 8.40073 numMergedOcc 0
21 mol 98 unq 4 iso 1 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 9.41666 5.2571 7.54889 8.40073 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 11.2946 10.8223 5.92242 9.42358 numMergedOcc 0
23 mol 98 unq 5 iso 1 dist 6.37954 5.91797 6.70343 11.2946 5.92242 10.8223 9.41666 5.2571 7.54889 9.42358 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 5.91797 6.37954 6.70343 9.41666 7.54889 5.2571 9.57791 7.78931 8.7497 5.02887 numMergedOcc 0
25 mol 98 unq 6 iso 1 dist 6.37954 5.91797 6.70343 9.57791 8.7497 7.78931 9.41666 5.2571 7.54889 5.02887 numMergedOcc 0
26 mol 98 unq 7 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 5.90686 9.81956 5.10496 10.2427 numMergedOcc 0
27 mol 98 unq 7 iso 1 dist 6.37954 5.91797 6.70343 5.90686 5.10496 9.81956 9.57791 8.7497 7.78931 10.2427 numMergedOcc 0
28 mol 98 unq 8 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 11.2946 10.8223 5.92242 13.9786 numMergedOcc 0
29 mol 98 unq 8 iso 1 dist 6.37954 5.91797 6.70343 11.2946 5.92242 10.8223 9.57791 8.7497 7.78931 13.9786 numMergedOcc 0
30 mol 98 unq 9 iso 0 dist 5.91797 6.37954 6.70343 9.57791 7.78931 8.7497 9.41666 7.54889 5.2571 5.02887 numMergedOcc 0
31 mol 98 unq 9 iso 1 dist 6.37954 5.91797 6.70343 9.41666 5.2571 7.54889 9.57791 8.7497 7.78931 5.02887 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 7.76446 6.14652 5.83782 6.47007 6.42772 9.70973 7.07625 11.0808 9.33094 10.1584 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 6.14652 7.76446 5.83782 7.07625 9.33094 11.0808 6.47007 9.70973 6.42772 10.1584 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 7.76446 6.14652 5.83782 6.47007 6.42772 9.70973 10.4858 9.1998 8.69531 11.6064 numMergedOcc 0
35 mol 134 unq 1 iso 1 dist 6.14652 7.76446 5.83782 10.4858 8.69531 9.1998 6.47007 9.70973 6.42772 11.6064 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 7.76446 6.14652 5.83782 10.4858 9.1998 8.69531 7.07625 11.0808 9.33094 6.81259 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 6.14652 7.76446 5.83782 7.07625 9.33094 11.0808 10.4858 8.69531 9.1998 6.81259 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 7.76446 6.14652 5.83782 14.3375 8.70621 10.3432 7.07625 11.0808 9.33094 13.4122 numMergedOcc 0
39 mol 134 unq 3 iso 1 dist 6.14652 7.76446 5.83782 7.07625 9.33094 11.0808 14.3375 10.3432 8.70621 13.4122 numMergedOcc 0
40 mol 134 unq 4 iso 0 dist 7.76446 6.14652 5.83782 14.3375 8.70621 10.3432 10.4858 9.1998 8.69531 7.09823 numMergedOcc 0
41 mol 134 unq 4 iso 1 dist 6.14652 7.76446 5.83782 10.4858 8.69531 9.1998 14.3375 10.3432 8.70621 7.09823 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 9.4275 9.83462 3.55572 10.5295 6.70693 9.27706 5.65129 6.59889 8.9192 7.65448 numMergedOcc 0
43 mol 152 unq 0 iso 1 dist 9.83462 9.4275 3.55572 5.65129 8.9192 6.59889 10.5295 9.27706 6.70693 7.65448 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 6.04336 9.00537 7.15345 4.70216 9.3498 13.6831 11.4985 14.0048 8.90571 15.2892 numMergedOcc 0
45 mol 186 unq 0 iso 1 dist 9.00537 6.04336 7.15345 11.4985 8.90571 14.0048 4.70216 13.6831 9.3498 15.2892 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 6.04336 9.00537 7.15345 4.70216 9.3498 13.6831 9.40374 10.8806 6.61112 13.4725 numMergedOcc 0
47 mol 186 unq 1 iso 1 dist 9.00537 6.04336 7.15345 9.40374 6.61112 10.8806 4.70216 13.6831 9.3498 13.4725 numMergedOcc 0
48 mol 186 unq 2 iso 0 dist 6.04336 9.00537 7.15345 6.13422 7.05695 11.651 11.4985 14.0048 8.90571 14.9196 numMergedOcc 0
49 mol 186 unq 2 iso 1 dist 9.00537 6.04336 7.15345 11.4985 8.90571 14.0048 6.13422 11.651 7.05695 14.9196 numMergedOcc 0
50 mol 186 unq 3 iso 0 dist 6.04336 9.00537 7.15345 6.13422 7.05695 11.651 9.40374 10.8806 6.61112 14.5862 numMergedOcc 0
51 mol 186 unq 3 iso 1 dist 9.00537 6.04336 7.15345 9.40374 6.61112 10.8806 6.13422 11.651 7.05695 14.5862 numMergedOcc 0
52 mol 207 unq 0 iso 0 dist 7.25953 9.05688 6.07936 5.6688 5.12567 6.0563 10.6526 10.4761 9.98372 5.99308 numMergedOcc 0
53 mol 207 unq 0 iso 1 dist 9.05688 7.25953 6.07936 10.6526 9.98372 10.4761 5.6688 6.0563 5.12567 5.99308 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 7.88009 5.80061 3.39114 13.3794 9.57499 11.4389 5.90394 5.46926 5.13913 7.69449 numMergedOcc 0
55 mol 277 unq 0 iso 1 dist 5.80061 7.88009 3.39114 5.90394 5.13913 5.46926 13.3794 11.4389 9.57499 7.69449 numMergedOcc 0
56 mol 277 unq 1 iso 0 dist 7.88009 5.80061 3.39114 13.3794 9.57499 11.4389 9.57081 8.9682 6.92711 11.8268 numMergedOcc 0
57 mol 277 unq 1 iso 1 dist 5.80061 7.88009 3.39114 9.57081 6.92711 8.9682 13.3794 11.4389 9.57499 11.8268 numMergedOcc 0
58 mol 277 unq 2 iso 0 dist 7.88009 5.80061 3.39114 5.90394 5.46926 5.13913 9.57081 8.9682 6.92711 7.08227 numMergedOcc 0
59 mol 277 unq 2 iso 1 dist 5.80061 7.88009 3.39114 9.57081 6.92711 8.9682 5.90394 5.13913 5.46926 7.08227 numMergedOcc 0
60 mol 277 unq 3 iso 0 dist 7.88009 5.80061 3.39114 9.57081 8.9682 6.92711 5.90394 5.46926 5.13913 7.08227 numMergedOcc 0
61 mol 277 unq 3 iso 1 dist 5.80061 7.88009 3.39114 5.90394 5.13913 5.46926 9.57081 6.92711 8.9682 7.08227 numMergedOcc 0
62 mol 279 unq 0 iso 0 dist 7.26637 9.88198 13.095 6.07975 7.24366 10.2562 10.7368 16.5279 6.35028 11.9492 numMergedOcc 0
63 mol 279 unq 0 iso 1 dist 9.88198 7.26637 13.095 10.7368 6.35028 16.5279 6.07975 10.2562 7.24366 11.9492 numMergedOcc 0
