0 mol 53 unq 0 iso 0 dist 6.22911 7.77212 5.86778 9.18121 7.57267 13.2731 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 6.76484 9.72637 9.25439 6.53895 7.57267 13.4508 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.46263 7.18148 10.3901 6.11985 5.76314 12.9368 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.09269 6.42645 3.70802 11.5076 8.19721 6.51901 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.19143 8.66819 9.46631 11.9399 8.42914 15.8707 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 9.19143 8.66819 9.46631 14.4901 8.17327 16.9889 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 9.19143 8.66819 9.46631 15.0526 9.52936 16.7772 numMergedOcc 0
7 mol 91 unq 3 iso 0 dist 9.23907 8.47126 9.46631 15.5613 8.42914 15.8707 numMergedOcc 0
8 mol 91 unq 4 iso 0 dist 9.23907 8.47126 9.46631 16.4816 8.17327 16.9889 numMergedOcc 0
9 mol 91 unq 5 iso 0 dist 9.23907 8.47126 9.46631 18.1522 9.52936 16.7772 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 7.66242 6.95058 3.84631 14.0134 8.95504 12.2762 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 6.06892 7.01577 7.7167 10.5943 7.37431 13.3345 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 6.13127 8.50234 7.73968 4.7869 9.06541 8.09863 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 9.72248 8.3831 6.30031 15.535 9.74822 13.1238 numMergedOcc 0
14 mol 283 unq 1 iso 0 dist 9.72248 8.44179 8.78323 15.535 9.74822 17.5224 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.80478 6.23874 3.76412 11.5033 5.06731 6.05363 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 7.80478 6.68956 5.39384 11.5033 5.06731 9.51547 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.80478 6.23874 3.76412 11.5033 5.06731 6.05363 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 7.80478 6.68956 5.39384 11.5033 5.06731 9.51547 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.80478 6.23874 3.76412 11.5033 5.06731 6.05363 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.80478 6.68956 5.39384 11.5033 5.06731 9.51547 numMergedOcc 0
