0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 10.3034 10.9812 6.3267 12.9149 12.5416 8.66548 4.22598 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 10.3034 14.3013 6.3267 12.9149 15.8082 8.66548 4.22598 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.60154 8.47421 9.29529 5.84314 5.8245 9.71516 3.91075 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 5.84314 5.8245 9.81658 3.91075 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 4.61049 12.6047 6.9513 5.84314 5.8245 9.81658 8.25089 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 6.64015 14.9473 9.16116 5.84314 5.8245 9.81658 12.0874 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.57077 6.33889 11.4878 13.7377 16.8226 8.47109 5.84314 5.8245 9.81658 14.6279 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 12.466 12.457 5.81001 11.9463 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 7.58835 9.20119 6.89191 16.2375 14.4997 8.13782 12.466 12.457 5.81001 4.51883 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 6.20618 8.41778 7.60018 10.7257 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 6.75888 10.335 8.80108 5.61579 5.38524 7.03126 11.0945 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 6.20618 9.97819 7.60018 10.7257 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 5.61579 8.69057 7.03126 11.0945 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 6.20618 14.4477 7.60018 10.7257 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 5.61579 13.1897 7.03126 11.0945 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 9.0131 13.3133 9.19459 10.0679 16.89 9.37102 5.11318 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 8.8178 6.77912 12.0644 9.0131 13.3133 9.19459 5.69391 13.6019 5.4605 6.74416 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 8.8178 6.77912 12.0644 9.0131 13.3133 9.19459 4.03844 12.4827 6.53824 10.7904 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 10.0679 10.7102 9.37102 5.11318 numMergedOcc 0
19 mol 72 unq 4 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 5.69391 9.55118 5.4605 6.74416 numMergedOcc 0
20 mol 72 unq 5 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 4.03844 12.111 6.53824 10.7904 numMergedOcc 0
21 mol 72 unq 6 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 7.47371 7.12321 9.14817 9.88768 numMergedOcc 0
22 mol 72 unq 7 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 9.67587 9.35457 9.76686 12.9007 numMergedOcc 0
23 mol 72 unq 8 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 7.07356 12.1131 9.437 12.9235 numMergedOcc 0
24 mol 72 unq 9 iso 0 dist 9.96708 7.321 9.0131 7.17489 10.4676 8.59747 7.47371 7.12321 9.14817 12.6041 numMergedOcc 0
25 mol 72 unq 10 iso 0 dist 9.96708 7.321 9.0131 7.17489 10.4676 8.59747 9.67587 9.35457 9.76686 15.1279 numMergedOcc 0
26 mol 72 unq 11 iso 0 dist 9.96708 7.321 9.0131 7.17489 10.4676 8.59747 7.07356 12.1131 9.437 13.879 numMergedOcc 0
27 mol 72 unq 12 iso 0 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 7.47371 6.21799 9.14817 9.88768 numMergedOcc 0
28 mol 72 unq 13 iso 0 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 9.67587 5.03251 9.76686 12.9007 numMergedOcc 0
29 mol 72 unq 14 iso 0 dist 9.78528 7.321 6.11922 7.11552 11.9814 9.19459 7.07356 7.66093 9.437 12.9235 numMergedOcc 0
30 mol 72 unq 15 iso 0 dist 9.78528 7.321 6.11922 7.17489 13.3943 8.59747 7.47371 6.21799 9.14817 12.6041 numMergedOcc 0
31 mol 72 unq 16 iso 0 dist 9.78528 7.321 6.11922 7.17489 13.3943 8.59747 9.67587 5.03251 9.76686 15.1279 numMergedOcc 0
32 mol 72 unq 17 iso 0 dist 9.78528 7.321 6.11922 7.17489 13.3943 8.59747 7.07356 7.66093 9.437 13.879 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 10.7942 7.76729 6.40036 6.95773 6.24825 7.65255 5.78043 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.34759 12.0409 7.99631 6.63111 6.39384 8.0168 6.04071 numMergedOcc 0
35 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 6.63111 6.39384 8.0168 5.65471 numMergedOcc 0
36 mol 115 unq 3 iso 0 dist 5.83991 7.76729 10.9739 6.34759 11.8557 7.99631 6.63111 9.42082 8.0168 6.04071 numMergedOcc 0
37 mol 115 unq 4 iso 0 dist 5.83991 7.76729 10.9739 10.2377 12.2309 6.40036 6.63111 9.42082 8.0168 5.65471 numMergedOcc 0
38 mol 115 unq 5 iso 0 dist 6.11741 7.64585 10.8939 10.7942 12.9821 6.40036 6.95773 10.0255 7.65255 5.78043 numMergedOcc 0
39 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 11.8989 14.0449 9.94276 14.8533 13.5288 9.10003 7.789 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 15.0734 13.5624 9.05357 14.8533 13.5288 9.10003 6.11311 numMergedOcc 0
41 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 9.58627 9.65709 5.99299 14.8533 13.5288 9.10003 5.74928 numMergedOcc 0
42 mol 133 unq 3 iso 0 dist 8.00618 7.92688 12.2037 11.8989 19.3117 9.94276 14.8533 20.9604 9.10003 7.789 numMergedOcc 0
43 mol 133 unq 4 iso 0 dist 8.00618 7.92688 12.2037 15.0734 20.5979 9.05357 14.8533 20.9604 9.10003 6.11311 numMergedOcc 0
44 mol 133 unq 5 iso 0 dist 8.00618 7.92688 12.2037 9.58627 16.126 5.99299 14.8533 20.9604 9.10003 5.74928 numMergedOcc 0
45 mol 155 unq 0 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 4.91785 8.97626 5.36254 4.48516 numMergedOcc 0
46 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 5.00913 13.6764 9.76114 9.433 numMergedOcc 0
47 mol 175 unq 1 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 5.00913 10.1305 9.76114 9.433 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 9.40098 8.19953 8.64911 7.67202 11.1518 4.55996 5.13732 11.2501 5.73591 5.93269 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 6.61986 8.19953 10.7113 7.67202 12.6391 4.55996 5.13732 8.08349 5.73591 5.93269 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 13.3557 12.3856 7.95168 4.1511 9.91384 7.79951 12.0749 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 8.8709 12.3856 6.152 14.6485 15.9467 9.8009 5.99236 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 8.8709 12.3856 7.95168 4.69247 9.91384 7.79951 12.0749 numMergedOcc 0
53 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 13.3557 16.1617 7.95168 4.1511 10.3016 7.79951 12.0749 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 3.95629 11.1872 8.27411 6.00588 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 15.9732 20.7134 6.96257 14.8966 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 9.45496 9.5707 15.9563 12.1076 17.6567 9.6101 3.95629 11.1872 8.27411 13.9373 numMergedOcc 0
57 mol 234 unq 3 iso 0 dist 9.45496 9.5707 15.9563 12.1076 17.6567 9.6101 15.9732 20.7134 6.96257 10.72 numMergedOcc 0
58 mol 234 unq 4 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 3.95629 10.5689 8.27411 6.00588 numMergedOcc 0
59 mol 234 unq 5 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 15.9732 19.3876 6.96257 14.8966 numMergedOcc 0
60 mol 234 unq 6 iso 0 dist 6.7625 9.5707 14.4106 12.1076 12.6312 9.6101 3.95629 10.5689 8.27411 13.9373 numMergedOcc 0
61 mol 234 unq 7 iso 0 dist 6.7625 9.5707 14.4106 12.1076 12.6312 9.6101 15.9732 19.3876 6.96257 10.72 numMergedOcc 0
62 mol 234 unq 8 iso 0 dist 8.41436 6.16063 11.3297 5.9221 13.651 8.49841 13.1872 17.3846 9.11572 11.8229 numMergedOcc 0
63 mol 234 unq 9 iso 0 dist 8.92474 6.16063 10.2563 5.9221 10.521 8.49841 13.1872 11.3419 9.11572 11.8229 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.1252 9.38422 6.17025 12.7938 9.08509 5.43613 4.02449 numMergedOcc 0
65 mol 238 unq 1 iso 0 dist 6.22714 7.49471 5.17471 12.1252 9.38422 6.17025 6.82305 10.1172 7.24334 9.79637 numMergedOcc 0
66 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 8.82861 9.38422 6.65088 10.4966 9.7696 6.85253 6.29757 numMergedOcc 0
67 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 8.82861 9.38422 6.5772 5.71717 10.1172 7.39547 9.79637 numMergedOcc 0
68 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 8.82861 9.38422 6.17025 11.0772 9.08509 5.43613 4.02449 numMergedOcc 0
69 mol 238 unq 5 iso 0 dist 7.31233 7.19008 5.17471 8.82861 9.38422 6.17025 5.71717 10.1172 7.24334 9.79637 numMergedOcc 0
70 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.7074 10.597 6.75716 5.12237 6.44147 8.84523 10.2399 numMergedOcc 0
71 mol 272 unq 1 iso 0 dist 8.48753 7.67853 6.64985 5.7074 10.597 6.75716 5.41667 11.4951 6.95241 3.9539 numMergedOcc 0
