0 mol 48 unq 0 iso 0 dist 9.66461 8.16033 8.91456 4.62339 8.28883 9.46554 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.81136 8.31952 12.4205 10.0767 8.28883 14.8168 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.17492 7.77386 7.8821 6.8609 9.35912 10.6742 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.72237 8.04111 5.25902 8.99035 9.22636 11.668 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 8.01351 4.86532 12.671 7.97927 5.78962 12.6261 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 9.83243 5.65876 9.67391 9.99834 8.50054 11.8788 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 9.83243 5.65876 9.67391 13.7645 7.47653 13.611 numMergedOcc 0
7 mol 130 unq 2 iso 0 dist 9.83243 5.65876 9.67391 16.8419 8.97124 17.3166 numMergedOcc 0
8 mol 130 unq 3 iso 0 dist 9.83243 9.13825 5.68124 9.99834 8.50054 12.3957 numMergedOcc 0
9 mol 130 unq 4 iso 0 dist 9.83243 9.13825 5.68124 13.7645 7.47653 11.878 numMergedOcc 0
10 mol 130 unq 5 iso 0 dist 9.83243 9.13825 5.68124 16.8419 8.97124 14.2633 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 7.04009 9.83216 7.33075 6.20034 9.82329 9.69399 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.11014 9.13228 8.78943 13.0222 9.45847 5.0207 numMergedOcc 0
13 mol 184 unq 1 iso 0 dist 8.11014 9.13228 8.78943 10.629 7.895 15.7817 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 8.48704 9.13011 5.20086 6.28664 9.98092 9.24734 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 5.51354 8.88206 8.22785 4.80435 9.86417 13.1725 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 4.30445 8.73987 5.25583 6.59509 6.03408 6.64193 numMergedOcc 0
17 mol 223 unq 1 iso 0 dist 9.10041 8.73987 10.5593 15.4738 9.29204 19.6879 numMergedOcc 0
18 mol 223 unq 2 iso 0 dist 9.10041 8.73987 10.5593 14.4135 9.14789 18.5863 numMergedOcc 0
19 mol 223 unq 3 iso 0 dist 9.10041 8.73987 10.5593 6.59509 7.80764 6.64193 numMergedOcc 0
20 mol 223 unq 4 iso 0 dist 9.10041 8.73987 10.5593 11.687 5.75896 11.867 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 9.19506 6.7282 11.2425 11.0413 7.58833 15.2001 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 9.19506 6.7282 11.2425 6.40966 9.04715 12.8292 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 5.84157 8.33795 6.1967 9.69849 9.72048 15.3016 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.70632 5.62193 11.7682 12.8161 9.58577 16.7357 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.86721 6.35591 5.39579 13.271 7.2783 11.006 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 7.38699 9.33975 13.9498 5.09741 9.43447 11.0065 numMergedOcc 0
27 mol 280 unq 1 iso 0 dist 7.38699 6.37362 6.22385 5.09741 9.43447 9.76712 numMergedOcc 0
