0 mol 26 unq 0 iso 0 dist 7.7868 4.03003 7.3022 10.4427 11.0099 6.46104 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.7868 4.03003 7.3022 9.94775 4.74747 7.36856 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.91418 7.10946 6.42834 13.3754 5.0364 8.51663 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 6.0961 4.08339 6.42834 5.41493 5.0364 8.51663 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 7.23914 3.63144 5.84875 7.20538 6.28202 7.16773 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.84323 7.46975 6.04903 14.3699 11.7069 7.56205 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 8.84323 7.46975 6.04903 8.1599 5.49555 4.74544 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 5.70192 4.31746 9.0008 11.3095 13.2018 9.49144 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 7.65646 7.58981 9.0008 16.2773 13.2018 9.49144 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.57958 11.6798 7.1539 14.0535 9.97281 5.37007 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.57958 12.656 5.39745 11.0291 6.99832 6.95572 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 6.01132 11.7935 6.90634 10.5028 6.01663 9.72053 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 6.01132 11.7935 6.90634 17.7754 12.8559 7.7949 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 9.43335 14.3207 6.46089 11.9443 6.01455 7.78652 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 9.9492 6.3462 6.46089 13.375 6.01455 7.78652 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 9.77771 11.2713 9.44952 19.8643 14.7359 8.84535 numMergedOcc 0
16 mol 146 unq 1 iso 0 dist 9.77771 11.2713 9.44952 14.7989 7.00857 8.82188 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 7.62575 8.61147 9.80845 10.6076 6.34186 7.92304 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 7.62575 5.45915 7.55196 10.449 8.78665 8.69157 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 7.62575 5.45915 7.55196 4.44292 5.40375 6.53347 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 8.91189 6.69743 5.9032 7.97007 4.57561 8.4858 numMergedOcc 0
21 mol 159 unq 1 iso 0 dist 8.94941 4.49716 6.72852 7.97007 6.49376 9.17787 numMergedOcc 0
22 mol 159 unq 2 iso 0 dist 8.94941 6.69743 8.52082 7.97007 6.49376 8.4858 numMergedOcc 0
23 mol 174 unq 0 iso 0 dist 8.3622 4.01137 7.47932 12.204 8.37744 9.87122 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 8.45395 12.0718 9.06217 9.86845 6.25083 6.2479 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 8.45395 12.0718 9.06217 9.58911 10.5753 6.22122 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 8.45395 12.0718 9.06217 13.0329 5.86342 7.99195 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 9.15368 13.7282 9.06217 12.5284 6.25083 6.2479 numMergedOcc 0
28 mol 181 unq 4 iso 0 dist 9.15368 13.7282 9.06217 12.7453 10.5753 6.22122 numMergedOcc 0
29 mol 181 unq 5 iso 0 dist 9.15368 13.7282 9.06217 12.9014 5.86342 7.99195 numMergedOcc 0
30 mol 181 unq 6 iso 0 dist 9.20477 10.6331 9.06217 12.0593 6.25083 6.2479 numMergedOcc 0
31 mol 181 unq 7 iso 0 dist 9.20477 10.6331 9.06217 11.622 10.5753 6.22122 numMergedOcc 0
32 mol 181 unq 8 iso 0 dist 9.20477 10.6331 9.06217 10.3248 5.86342 7.99195 numMergedOcc 0
33 mol 181 unq 9 iso 0 dist 5.41368 12.0718 7.13252 9.86845 4.77278 6.2479 numMergedOcc 0
34 mol 181 unq 10 iso 0 dist 5.41368 12.0718 7.13252 9.58911 5.88819 6.22122 numMergedOcc 0
35 mol 181 unq 11 iso 0 dist 5.41368 12.0718 7.13252 13.0329 9.14057 7.99195 numMergedOcc 0
36 mol 181 unq 12 iso 0 dist 7.96182 13.7282 7.13252 12.5284 4.77278 6.2479 numMergedOcc 0
37 mol 181 unq 13 iso 0 dist 7.96182 13.7282 7.13252 12.7453 5.88819 6.22122 numMergedOcc 0
38 mol 181 unq 14 iso 0 dist 7.96182 13.7282 7.13252 12.9014 9.14057 7.99195 numMergedOcc 0
39 mol 181 unq 15 iso 0 dist 7.90237 10.6331 7.13252 12.0593 4.77278 6.2479 numMergedOcc 0
40 mol 181 unq 16 iso 0 dist 7.90237 10.6331 7.13252 11.622 5.88819 6.22122 numMergedOcc 0
41 mol 181 unq 17 iso 0 dist 7.90237 10.6331 7.13252 10.3248 9.14057 7.99195 numMergedOcc 0
42 mol 181 unq 18 iso 0 dist 9.70025 6.02828 8.9289 10.0354 13.3389 5.9176 numMergedOcc 0
43 mol 181 unq 19 iso 0 dist 6.17129 6.78739 7.05653 9.84952 6.7991 5.94469 numMergedOcc 0
44 mol 181 unq 20 iso 0 dist 5.83596 11.3693 7.05653 10.8641 6.7991 5.94469 numMergedOcc 0
45 mol 186 unq 0 iso 0 dist 9.08641 5.18732 9.84492 11.5247 10.5203 7.76163 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 9.08641 5.18732 9.84492 9.44405 11.7299 8.73217 numMergedOcc 0
47 mol 232 unq 0 iso 0 dist 9.61294 6.36084 7.17337 7.70279 8.78722 8.50102 numMergedOcc 0
48 mol 232 unq 1 iso 0 dist 9.61294 6.36084 7.17337 9.29752 13.5597 9.40808 numMergedOcc 0
49 mol 235 unq 0 iso 0 dist 8.19915 3.93066 7.95766 9.11256 4.65302 9.55668 numMergedOcc 0
50 mol 235 unq 1 iso 0 dist 8.19915 3.93066 7.95766 9.80261 6.43692 6.95126 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 7.96197 5.18265 6.87131 10.9696 13.0842 7.57812 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 7.96197 5.18265 6.87131 13.4956 8.85181 9.24557 numMergedOcc 0
53 mol 238 unq 2 iso 0 dist 7.96197 4.30687 9.69818 10.9696 13.0842 8.69104 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 6.24435 5.18265 8.09718 10.9696 13.171 7.57812 numMergedOcc 0
55 mol 238 unq 4 iso 0 dist 6.24435 5.18265 8.09718 13.4956 11.9142 9.24557 numMergedOcc 0
56 mol 238 unq 5 iso 0 dist 6.24435 4.30687 6.73446 10.9696 13.171 8.69104 numMergedOcc 0
57 mol 243 unq 0 iso 0 dist 7.77265 3.87679 7.12785 6.86162 5.70464 7.49645 numMergedOcc 0
58 mol 243 unq 1 iso 0 dist 7.77265 3.87679 7.12785 10.0226 10.3961 9.9222 numMergedOcc 0
59 mol 243 unq 2 iso 0 dist 9.65322 3.87679 6.66959 6.86162 7.83758 7.49645 numMergedOcc 0
60 mol 243 unq 3 iso 0 dist 9.65322 3.87679 6.66959 10.0226 7.8399 9.9222 numMergedOcc 0
61 mol 243 unq 4 iso 0 dist 6.9453 5.40441 6.66959 11.9954 7.83758 7.49645 numMergedOcc 0
62 mol 243 unq 5 iso 0 dist 6.9453 5.40441 6.66959 13.073 7.8399 9.9222 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 9.53092 11.7116 8.71497 12.348 11.6195 7.98231 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 9.53092 11.7116 8.71497 11.6963 5.79468 7.08526 numMergedOcc 0
65 mol 264 unq 0 iso 0 dist 8.44015 5.29885 5.91213 10.7818 5.12409 5.93616 numMergedOcc 0
66 mol 264 unq 1 iso 0 dist 6.21206 5.29885 7.34094 10.7818 9.67998 5.93616 numMergedOcc 0
