0 mol 7 unq 0 iso 0 dist 7.38748 6.22892 5.0893 7.15287 6.8464 8.41585 12.1855 14.0737 9.87885 12.8323 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 5.75653 13.3202 7.36323 6.87351 13.9066 8.87744 6.28159 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.22152 5.87895 6.7228 5.75653 13.3202 7.36323 7.79018 13.3728 7.27472 5.50396 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 9.73304 16.8033 9.67592 6.24019 14.5701 9.86334 5.16015 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 5.66803 5.54343 5.9853 5.59762 9.21546 9.67592 5.18166 10.6898 9.86334 5.16015 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 12.8388 11.6724 9.96396 11.5216 9.79061 9.73086 5.70116 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.90896 5.79954 4.78435 9.65653 14.5091 9.75218 11.5216 9.79061 9.73086 14.844 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.90896 5.79954 4.78435 14.1415 10.2786 9.38498 11.5216 9.79061 9.73086 17.4121 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.2219 14.6364 6.97941 8.55291 12.9253 9.6952 8.66662 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 10.345 11.2815 9.30299 9.74982 14.5858 6.08673 12.8087 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 10.0823 11.9102 7.7059 7.05332 8.40461 6.89918 12.9631 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.87456 5.30872 8.03483 6.3915 12.5106 5.99315 5.88056 11.1097 5.37047 4.78563 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 14.6282 14.5081 7.36975 13.1926 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 5.40826 7.5984 9.02772 5.11989 9.35213 5.99315 7.11802 9.78214 5.40637 7.39837 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 9.72559 10.8493 9.31746 5.62883 12.4766 9.56028 8.82964 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 16.5528 23.0178 9.65138 7.66602 13.214 7.46481 11.4955 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 7.82201 9.40003 17.1162 9.11345 15.2631 7.14453 7.66602 13.214 7.46481 8.459 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 7.82201 9.40003 17.1162 16.922 23.8076 8.85478 7.66602 13.214 7.46481 11.1534 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 11.4946 18.1661 8.77153 8.1388 14.6463 6.42257 4.04036 numMergedOcc 0
19 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 11.4946 18.1661 8.77153 14.288 20.1763 9.33543 13.1538 numMergedOcc 0
20 mol 223 unq 2 iso 0 dist 6.97426 9.94212 15.9255 13.1422 19.8848 8.6166 8.1388 14.6463 6.42257 9.47076 numMergedOcc 0
21 mol 223 unq 3 iso 0 dist 6.97426 9.94212 15.9255 13.1422 19.8848 8.6166 14.288 20.1763 9.33543 5.39728 numMergedOcc 0
22 mol 223 unq 4 iso 0 dist 8.87456 9.94212 17.7343 11.4946 20.1459 8.77153 8.1388 17.0039 6.42257 4.04036 numMergedOcc 0
23 mol 223 unq 5 iso 0 dist 8.87456 9.94212 17.7343 11.4946 20.1459 8.77153 14.288 19.7672 9.33543 13.1538 numMergedOcc 0
24 mol 223 unq 6 iso 0 dist 8.87456 9.94212 17.7343 13.1422 20.15 8.6166 8.1388 17.0039 6.42257 9.47076 numMergedOcc 0
25 mol 223 unq 7 iso 0 dist 8.87456 9.94212 17.7343 13.1422 20.15 8.6166 14.288 19.7672 9.33543 5.39728 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 7.48693 8.0007 8.75723 5.29674 12.494 9.87838 6.80826 12.6288 6.95201 4.61227 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 8.63249 6.36941 7.45579 8.3919 11.8908 9.81562 5.3331 10.2767 9.3206 4.27181 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 8.63249 6.36941 7.45579 4.88785 12.0498 7.68742 5.3331 10.2767 9.3206 4.89609 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 8.63249 6.36941 7.45579 10.2557 5.90804 6.27581 5.3331 10.2767 9.3206 10.5774 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 12.1502 17.0305 6.16342 3.28983 9.993 6.73665 10.6736 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 9.76967 9.26066 18.1328 12.5899 21.2961 6.53701 8.13853 16.4753 6.02353 4.90315 numMergedOcc 0
