0 mol 8 unq 0 iso 0 dist 9.73496 8.82216 8.80278 12.0843 4.43686 8.37509 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.70405 5.32149 3.71928 7.58007 5.10609 7.1431 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 6.57452 6.39837 7.33546 13.0768 14.0643 9.01561 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 8.45341 9.68657 8.4254 14.4441 8.49831 9.34342 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 7.95136 9.17593 5.72494 15.0008 11.0116 6.13194 numMergedOcc 0
5 mol 103 unq 1 iso 0 dist 5.8915 9.17593 8.70106 15.0008 13.5214 6.13194 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.79014 9.85586 9.15982 10.7956 4.45081 9.03707 numMergedOcc 0
7 mol 124 unq 0 iso 0 dist 8.55572 9.01736 6.31232 17.566 11.0785 9.69841 numMergedOcc 0
8 mol 124 unq 1 iso 0 dist 9.67527 5.73937 7.17224 13.3204 7.13014 9.69841 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.65807 10.9875 6.5114 14.1241 7.55204 7.04929 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 6.4413 11.3382 6.72591 16.7261 11.2206 6.81055 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 6.62609 11.5334 6.80192 16.8389 11.1844 6.77966 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.21538 9.53929 9.42196 13.9054 11.2827 5.16184 numMergedOcc 0
13 mol 189 unq 0 iso 0 dist 6.77351 10.3814 8.81184 12.4713 6.53924 9.22035 numMergedOcc 0
14 mol 189 unq 1 iso 0 dist 8.4676 16.383 8.81184 14.2892 6.53924 9.22035 numMergedOcc 0
15 mol 189 unq 2 iso 0 dist 8.01521 10.5365 9.20296 11.3391 14.0791 9.22035 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 6.6011 12.2483 5.99974 14.2658 8.15721 7.00749 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 5.99718 4.55979 7.42784 12.5695 9.54701 9.99489 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 5.99718 6.35303 6.11123 12.5695 9.54701 7.78448 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 6.3687 7.95454 7.6174 13.0812 11.8711 6.93858 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 7.95918 9.01244 9.94532 12.3791 10.2094 4.49691 numMergedOcc 0
