0 mol 85 unq 0 iso 0 dist 7.6981 8.3631 5.8099 4.85263 7.57394 6.25529 numMergedOcc 0
1 mol 104 unq 0 iso 0 dist 5.46461 6.07166 7.13889 4.86912 5.71279 5.84311 numMergedOcc 0
2 mol 104 unq 1 iso 0 dist 5.46461 6.07166 7.13889 4.27462 6.18499 9.00251 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.4557 9.97865 4.36531 4.41675 8.53914 8.80233 numMergedOcc 0
4 mol 183 unq 0 iso 0 dist 9.6562 7.48868 12.9222 5.46954 8.84987 12.2067 numMergedOcc 0
5 mol 195 unq 0 iso 0 dist 8.5734 9.96728 9.48981 6.01671 5.61326 7.92844 numMergedOcc 0
6 mol 204 unq 0 iso 0 dist 6.97502 7.44979 3.97757 9.01719 9.90757 11.6396 numMergedOcc 0
7 mol 223 unq 0 iso 0 dist 9.10041 7.59213 7.84356 10.9692 6.97426 8.51763 numMergedOcc 0
8 mol 223 unq 1 iso 0 dist 9.10041 7.59213 7.84356 10.2498 8.87456 5.57309 numMergedOcc 0
9 mol 232 unq 0 iso 0 dist 8.63323 6.39295 4.127 6.22887 6.77822 7.42469 numMergedOcc 0
10 mol 233 unq 0 iso 0 dist 8.27169 7.01792 8.37961 4.61365 6.9103 6.92165 numMergedOcc 0
11 mol 258 unq 0 iso 0 dist 9.44669 8.82933 11.1831 12.0868 9.48772 17.7325 numMergedOcc 0
12 mol 258 unq 1 iso 0 dist 9.44669 8.82933 11.1831 5.60485 5.53369 11.5038 numMergedOcc 0
13 mol 258 unq 2 iso 0 dist 9.44669 8.82933 11.1831 4.22701 8.57274 8.35413 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 7.60676 5.46263 6.06849 7.87626 4.45141 9.17898 numMergedOcc 0
