0 mol 0 unq 0 iso 0 dist 7.65806 9.72725 6.0225 10.5877 10.5603 5.88757 12.7627 7.02374 4.22598 8.31596 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.72725 6.0225 14.2251 10.4406 8.66548 12.7627 7.02374 4.22598 6.3267 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 5.8245 5.84314 8.27962 6.85412 9.71516 8.47421 5.60154 3.91075 9.29529 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 8.47421 5.60154 3.91075 7.2199 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 12.6047 4.61049 8.25089 6.9513 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 14.9473 6.64015 12.0874 9.16116 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 16.8226 13.7377 14.6279 8.47109 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.98837 8.26899 7.03126 10.335 6.75888 11.0945 8.80108 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 4.55117 8.26899 7.03126 6.40841 6.75888 11.0945 8.80108 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 9.0131 13.3133 9.14817 6.77912 12.0644 9.88768 9.19459 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 8.8178 7.12321 4.27726 9.0131 13.3133 9.14817 10.4676 15.5932 12.6041 8.59747 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.96708 7.12321 7.47371 9.0131 7.321 9.14817 6.77912 7.11552 9.88768 9.19459 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.96708 7.12321 7.47371 9.0131 7.321 9.14817 10.4676 7.17489 12.6041 8.59747 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 7.321 9.0131 6.74416 9.19459 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 7.321 9.0131 6.74416 8.59747 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 9.96708 9.10345 13.4212 7.17489 10.4676 7.64009 7.321 9.0131 5.63793 8.59747 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 9.78528 6.21799 7.47371 6.11922 7.321 9.14817 11.9814 7.11552 9.88768 9.19459 numMergedOcc 0
17 mol 72 unq 8 iso 0 dist 9.78528 6.21799 7.47371 6.11922 7.321 9.14817 13.3943 7.17489 12.6041 8.59747 numMergedOcc 0
18 mol 72 unq 9 iso 0 dist 9.78528 5.03251 9.67587 6.11922 7.321 9.76686 11.9814 7.11552 12.9007 9.19459 numMergedOcc 0
19 mol 72 unq 10 iso 0 dist 9.78528 5.03251 9.67587 6.11922 7.321 9.76686 13.3943 7.17489 15.1279 8.59747 numMergedOcc 0
20 mol 72 unq 11 iso 0 dist 9.78528 7.66093 7.07356 6.11922 7.321 9.437 11.9814 7.11552 12.9235 9.19459 numMergedOcc 0
21 mol 72 unq 12 iso 0 dist 9.78528 7.66093 7.07356 6.11922 7.321 9.437 13.3943 7.17489 13.879 8.59747 numMergedOcc 0
22 mol 72 unq 13 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 7.321 6.11922 6.74416 9.19459 numMergedOcc 0
23 mol 72 unq 14 iso 0 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 7.321 6.11922 6.74416 8.59747 numMergedOcc 0
24 mol 72 unq 15 iso 0 dist 9.78528 9.10345 11.6634 7.17489 13.3943 7.64009 7.321 6.11922 5.63793 8.59747 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 10.9739 17.6696 8.0168 11.8557 16.5921 6.04071 7.99631 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 7.30858 9.42082 15.3161 10.9739 17.6696 8.0168 12.2309 19.2193 5.65471 6.40036 numMergedOcc 0
27 mol 115 unq 2 iso 0 dist 9.33865 6.39384 6.63111 10.7942 7.76729 8.0168 12.0409 6.34759 6.04071 7.99631 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 9.33865 6.39384 6.63111 10.7942 7.76729 8.0168 7.64585 10.2377 5.65471 6.40036 numMergedOcc 0
29 mol 115 unq 4 iso 0 dist 9.33865 6.24825 6.95773 10.2377 7.64585 7.65255 7.76729 10.7942 5.78043 6.40036 numMergedOcc 0
30 mol 115 unq 5 iso 0 dist 5.83991 9.42082 6.63111 10.9739 7.76729 8.0168 11.8557 6.34759 6.04071 7.99631 numMergedOcc 0
31 mol 115 unq 6 iso 0 dist 5.83991 9.42082 6.63111 10.9739 7.76729 8.0168 12.2309 10.2377 5.65471 6.40036 numMergedOcc 0
32 mol 115 unq 7 iso 0 dist 5.83991 6.24825 6.01673 10.2377 12.2309 7.65255 7.76729 10.9739 5.78043 6.40036 numMergedOcc 0
33 mol 115 unq 8 iso 0 dist 6.11741 6.39384 6.07067 10.7942 12.9821 8.0168 12.0409 10.1863 6.04071 7.99631 numMergedOcc 0
34 mol 115 unq 9 iso 0 dist 6.11741 6.39384 6.07067 10.7942 12.9821 8.0168 7.64585 10.8939 5.65471 6.40036 numMergedOcc 0
35 mol 115 unq 10 iso 0 dist 7.88312 9.42082 6.07067 10.9739 12.9821 8.0168 11.8557 10.1863 6.04071 7.99631 numMergedOcc 0
36 mol 115 unq 11 iso 0 dist 7.88312 9.42082 6.07067 10.9739 12.9821 8.0168 12.2309 10.8939 5.65471 6.40036 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 7.46303 8.97626 9.16779 8.27726 12.1081 5.36254 7.51198 5.86939 4.48516 7.37901 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 6.43582 8.97626 4.91785 8.27726 7.36102 5.36254 7.51198 6.34186 4.48516 7.37901 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 10.7113 8.19953 5.73591 12.6391 7.67202 5.93269 4.55996 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 5.56749 15.004 9.11572 9.5707 15.9563 11.8229 8.49841 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 9.5707 15.9563 11.8229 9.6101 numMergedOcc 0
42 mol 234 unq 2 iso 0 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 10.475 13.3898 6.45373 5.32183 numMergedOcc 0
43 mol 234 unq 3 iso 0 dist 6.7625 7.81215 5.75498 5.56749 10.8628 9.11572 9.5707 14.4106 11.8229 8.49841 numMergedOcc 0
44 mol 234 unq 4 iso 0 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 9.5707 14.4106 11.8229 9.6101 numMergedOcc 0
45 mol 234 unq 5 iso 0 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 10.475 10.0607 6.45373 5.32183 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 15.5674 15.9735 9.84652 17.436 18.3578 13.037 6.65088 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 5.72887 9.72188 7.06793 15.5674 15.9735 9.84652 12.1104 13.7993 9.75095 6.5772 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 5.72887 9.72188 7.06793 15.5674 15.9735 9.84652 10.7386 14.2103 11.7709 8.70193 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 5.72887 9.72188 7.06793 15.5674 15.9735 9.84652 15.0465 13.193 6.12722 6.17025 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 5.72887 9.72188 7.06793 15.5674 15.9735 9.84652 21.1924 19.1404 12.1711 9.0378 numMergedOcc 0
51 mol 238 unq 5 iso 0 dist 6.22714 9.08509 12.7938 5.17471 7.49471 5.43613 9.38422 12.1252 4.02449 6.17025 numMergedOcc 0
52 mol 238 unq 6 iso 0 dist 6.22714 9.08509 12.7938 5.03393 10.9946 7.06768 9.38422 12.1252 4.02449 9.0378 numMergedOcc 0
53 mol 238 unq 7 iso 0 dist 7.31233 9.12776 10.3162 8.82861 9.38422 9.84652 7.02475 11.2717 13.037 6.65088 numMergedOcc 0
54 mol 238 unq 8 iso 0 dist 7.31233 9.12776 10.3162 8.82861 9.38422 9.84652 7.67322 12.6986 9.75095 6.5772 numMergedOcc 0
55 mol 238 unq 9 iso 0 dist 7.31233 9.12776 10.3162 8.82861 9.38422 9.84652 13.5581 17.0242 11.7709 8.70193 numMergedOcc 0
56 mol 238 unq 10 iso 0 dist 7.31233 9.12776 10.3162 8.82861 9.38422 9.84652 7.19008 5.17471 6.12722 6.17025 numMergedOcc 0
57 mol 238 unq 11 iso 0 dist 7.31233 9.12776 10.3162 8.82861 9.38422 9.84652 11.3465 5.03393 12.1711 9.0378 numMergedOcc 0
58 mol 238 unq 12 iso 0 dist 7.31233 9.08509 11.0772 5.17471 7.19008 5.43613 9.38422 8.82861 4.02449 6.17025 numMergedOcc 0
59 mol 238 unq 13 iso 0 dist 7.31233 9.08509 11.0772 5.03393 11.3465 7.06768 9.38422 8.82861 4.02449 9.0378 numMergedOcc 0
60 mol 272 unq 0 iso 0 dist 8.48753 6.44147 5.12237 6.64985 7.67853 8.84523 10.597 5.7074 10.2399 6.75716 numMergedOcc 0
