0 mol 0 unq 0 iso 0 dist 6.80636 9.15248 8.31596 5.56852 5.88757 4.22598 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 10.3034 6.3267 12.9149 8.66548 4.22598 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 5.60154 9.29529 5.84314 9.71516 3.91075 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 5.60154 7.2199 5.84314 9.81658 3.91075 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 6.33889 4.61049 6.9513 5.84314 9.81658 8.25089 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 6.33889 6.64015 9.16116 5.84314 9.81658 12.0874 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 6.33889 13.7377 8.47109 5.84314 9.81658 14.6279 numMergedOcc 0
7 mol 27 unq 0 iso 0 dist 9.77484 10.1814 8.11206 9.11842 6.78936 10.1896 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 10.7345 7.11053 5.19476 numMergedOcc 0
9 mol 32 unq 1 iso 0 dist 8.68559 6.68431 7.48825 10.7345 7.11053 8.73368 numMergedOcc 0
10 mol 39 unq 0 iso 0 dist 7.45237 6.42104 8.43814 9.26784 8.94353 3.82528 numMergedOcc 0
11 mol 39 unq 1 iso 0 dist 7.45237 6.42104 8.43814 10.2083 7.30265 10.9581 numMergedOcc 0
12 mol 39 unq 2 iso 0 dist 7.45237 6.42248 8.16689 9.26784 8.94353 6.18816 numMergedOcc 0
13 mol 39 unq 3 iso 0 dist 7.45237 6.42248 8.16689 10.2083 7.30265 6.18136 numMergedOcc 0
14 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 12.466 5.81001 11.9463 numMergedOcc 0
15 mol 45 unq 1 iso 0 dist 9.20119 16.2375 8.13782 12.466 5.81001 4.51883 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 9.33535 6.78077 8.80108 7.00806 7.60018 10.7257 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 9.33535 6.78077 8.80108 9.53718 7.03126 11.0945 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 8.26899 6.75888 8.80108 6.20618 7.60018 10.7257 numMergedOcc 0
19 mol 58 unq 3 iso 0 dist 8.26899 6.75888 8.80108 5.61579 7.03126 11.0945 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 8.624 6.00418 9.19459 5.72408 9.37102 5.11318 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 8.624 6.00418 9.19459 3.94376 5.4605 6.74416 numMergedOcc 0
22 mol 72 unq 2 iso 0 dist 8.624 6.00418 9.19459 6.19288 6.53824 10.7904 numMergedOcc 0
23 mol 72 unq 3 iso 0 dist 6.77912 9.0131 9.19459 10.0679 9.37102 5.11318 numMergedOcc 0
24 mol 72 unq 4 iso 0 dist 6.77912 9.0131 9.19459 5.69391 5.4605 6.74416 numMergedOcc 0
25 mol 72 unq 5 iso 0 dist 6.77912 9.0131 9.19459 4.03844 6.53824 10.7904 numMergedOcc 0
26 mol 72 unq 6 iso 0 dist 7.321 7.11552 9.19459 7.47371 9.14817 9.88768 numMergedOcc 0
27 mol 72 unq 7 iso 0 dist 7.321 7.11552 9.19459 9.67587 9.76686 12.9007 numMergedOcc 0
28 mol 72 unq 8 iso 0 dist 7.321 7.11552 9.19459 7.07356 9.437 12.9235 numMergedOcc 0
29 mol 72 unq 9 iso 0 dist 7.321 7.17489 8.59747 7.47371 9.14817 12.6041 numMergedOcc 0
30 mol 72 unq 10 iso 0 dist 7.321 7.17489 8.59747 9.67587 9.76686 15.1279 numMergedOcc 0
31 mol 72 unq 11 iso 0 dist 7.321 7.17489 8.59747 7.07356 9.437 13.879 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 6.63111 8.0168 6.04071 numMergedOcc 0
33 mol 115 unq 1 iso 0 dist 7.76729 10.2377 6.40036 6.63111 8.0168 5.65471 numMergedOcc 0
34 mol 115 unq 2 iso 0 dist 7.64585 10.7942 6.40036 6.95773 7.65255 5.78043 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 7.92688 11.8989 9.94276 14.8533 9.10003 7.789 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 7.92688 15.0734 9.05357 14.8533 9.10003 6.11311 numMergedOcc 0
37 mol 133 unq 2 iso 0 dist 7.92688 9.58627 5.99299 14.8533 9.10003 5.74928 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94837 5.9915 6.4218 11.5407 5.52149 11.3936 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 7.77454 10.7186 6.4218 5.91192 5.52149 11.3936 numMergedOcc 0
40 mol 155 unq 0 iso 0 dist 7.39644 5.40375 7.37901 7.10286 5.36254 4.48516 numMergedOcc 0
41 mol 155 unq 1 iso 0 dist 7.36102 6.34186 7.37901 4.91785 5.36254 4.48516 numMergedOcc 0
42 mol 173 unq 0 iso 0 dist 7.93331 13.3053 9.79554 12.4131 8.62366 12.9142 numMergedOcc 0
43 mol 173 unq 1 iso 0 dist 7.93331 13.3053 9.79554 8.85462 9.44973 12.5859 numMergedOcc 0
44 mol 173 unq 2 iso 0 dist 7.93331 13.3053 9.79554 6.91529 6.52508 14.5434 numMergedOcc 0
45 mol 173 unq 3 iso 0 dist 6.98095 8.94065 9.79554 12.5815 8.62366 12.9142 numMergedOcc 0
46 mol 173 unq 4 iso 0 dist 6.98095 8.94065 9.79554 9.65654 9.44973 12.5859 numMergedOcc 0
47 mol 173 unq 5 iso 0 dist 6.98095 8.94065 9.79554 9.44845 6.52508 14.5434 numMergedOcc 0
48 mol 173 unq 6 iso 0 dist 8.31897 14.2537 9.79554 8.63452 8.62366 12.9142 numMergedOcc 0
49 mol 173 unq 7 iso 0 dist 8.31897 14.2537 9.79554 4.83786 9.44973 12.5859 numMergedOcc 0
50 mol 173 unq 8 iso 0 dist 8.31897 14.2537 9.79554 3.74688 6.52508 14.5434 numMergedOcc 0
51 mol 175 unq 0 iso 0 dist 9.31887 8.22779 4.79852 5.00913 9.76114 9.433 numMergedOcc 0
52 mol 213 unq 0 iso 0 dist 8.45368 11.1059 8.74171 4.72944 5.461 7.09198 numMergedOcc 0
53 mol 213 unq 1 iso 0 dist 9.59129 12.2579 8.74171 10.1881 5.461 7.09198 numMergedOcc 0
54 mol 218 unq 0 iso 0 dist 7.17547 4.54272 8.57853 15.6802 8.61306 16.2592 numMergedOcc 0
55 mol 218 unq 1 iso 0 dist 7.17547 10.2673 6.75035 15.6802 8.61306 10.1772 numMergedOcc 0
56 mol 218 unq 2 iso 0 dist 7.13323 6.8949 8.57853 13.7327 8.61306 16.2592 numMergedOcc 0
57 mol 218 unq 3 iso 0 dist 7.13323 6.60235 6.75035 13.7327 8.61306 10.1772 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 8.19953 7.67202 4.55996 5.13732 5.73591 5.93269 numMergedOcc 0
59 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 4.7456 5.93063 11.3004 numMergedOcc 0
60 mol 225 unq 1 iso 0 dist 5.50387 7.12954 9.36396 4.7456 5.93063 11.0634 numMergedOcc 0
61 mol 227 unq 0 iso 0 dist 9.62609 8.8709 6.152 14.6485 9.8009 5.99236 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 8.17891 13.3557 7.95168 4.1511 7.79951 12.0749 numMergedOcc 0
63 mol 227 unq 2 iso 0 dist 6.95902 8.8709 7.95168 4.69247 7.79951 12.0749 numMergedOcc 0
64 mol 228 unq 0 iso 0 dist 9.42615 4.81881 7.46689 10.0586 8.6457 10.2762 numMergedOcc 0
65 mol 228 unq 1 iso 0 dist 9.42615 4.81881 7.46689 4.76982 8.8055 5.65339 numMergedOcc 0
66 mol 228 unq 2 iso 0 dist 8.06181 4.81881 8.37287 9.3302 7.84881 6.68878 numMergedOcc 0
67 mol 228 unq 3 iso 0 dist 8.38048 6.5952 8.37287 6.49596 7.84881 6.68878 numMergedOcc 0
68 mol 228 unq 4 iso 0 dist 7.65132 11.1604 8.37287 6.30327 7.84881 6.68878 numMergedOcc 0
69 mol 228 unq 5 iso 0 dist 8.53764 10.1917 8.37287 11.9013 7.84881 6.68878 numMergedOcc 0
70 mol 228 unq 6 iso 0 dist 7.77367 4.75417 8.07174 9.39743 7.86746 6.64821 numMergedOcc 0
71 mol 228 unq 7 iso 0 dist 9.06121 4.75417 7.09766 9.80263 8.66946 10.268 numMergedOcc 0
72 mol 228 unq 8 iso 0 dist 9.06121 4.75417 7.09766 4.63053 8.55761 5.73271 numMergedOcc 0
73 mol 228 unq 9 iso 0 dist 8.20909 6.53802 8.07174 6.65033 7.86746 6.64821 numMergedOcc 0
74 mol 228 unq 10 iso 0 dist 7.94506 11.0908 8.07174 6.19376 7.86746 6.64821 numMergedOcc 0
75 mol 228 unq 11 iso 0 dist 8.15494 10.0837 8.07174 11.8243 7.86746 6.64821 numMergedOcc 0
76 mol 233 unq 0 iso 0 dist 9.43203 4.53103 9.2911 8.59528 8.24424 9.35904 numMergedOcc 0
77 mol 233 unq 1 iso 0 dist 9.43203 4.53103 9.2911 5.43315 7.0942 5.88701 numMergedOcc 0
78 mol 233 unq 2 iso 0 dist 9.43203 4.53103 9.2911 6.8325 6.01775 9.59241 numMergedOcc 0
79 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 3.95629 8.27411 6.00588 numMergedOcc 0
80 mol 234 unq 1 iso 0 dist 9.5707 5.56749 8.49841 15.9732 6.96257 14.8966 numMergedOcc 0
81 mol 234 unq 2 iso 0 dist 9.5707 12.1076 9.6101 3.95629 8.27411 13.9373 numMergedOcc 0
82 mol 234 unq 3 iso 0 dist 9.5707 12.1076 9.6101 15.9732 6.96257 10.72 numMergedOcc 0
83 mol 234 unq 4 iso 0 dist 6.16063 5.9221 8.49841 13.1872 9.11572 11.8229 numMergedOcc 0
84 mol 238 unq 0 iso 0 dist 8.96531 4.65297 6.65088 5.79187 6.85253 6.29757 numMergedOcc 0
85 mol 238 unq 1 iso 0 dist 7.02475 8.82861 6.65088 10.4966 6.85253 6.29757 numMergedOcc 0
86 mol 238 unq 2 iso 0 dist 7.67322 8.82861 6.5772 5.71717 7.39547 9.79637 numMergedOcc 0
87 mol 238 unq 3 iso 0 dist 7.49471 12.1252 6.17025 12.7938 5.43613 4.02449 numMergedOcc 0
88 mol 238 unq 4 iso 0 dist 7.49471 12.1252 6.17025 6.82305 7.24334 9.79637 numMergedOcc 0
89 mol 238 unq 5 iso 0 dist 7.19008 8.82861 6.17025 11.0772 5.43613 4.02449 numMergedOcc 0
90 mol 238 unq 6 iso 0 dist 7.19008 8.82861 6.17025 5.71717 7.24334 9.79637 numMergedOcc 0
91 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 6.81241 9.85255 4.69954 numMergedOcc 0
92 mol 270 unq 1 iso 0 dist 8.25349 10.4895 8.39167 6.81241 9.85255 9.04454 numMergedOcc 0
93 mol 272 unq 0 iso 0 dist 7.67853 5.7074 6.75716 5.12237 8.84523 10.2399 numMergedOcc 0
94 mol 272 unq 1 iso 0 dist 7.67853 5.7074 6.75716 5.41667 6.95241 3.9539 numMergedOcc 0
95 mol 274 unq 0 iso 0 dist 9.19234 14.168 8.49866 8.87855 6.66172 5.70568 numMergedOcc 0
