0 mol 17 unq 0 iso 0 dist 9.55169 9.84612 5.67637 11.1103 9.78331 7.25951 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.45609 9.84612 17.5301 11.1103 19.3812 7.25951 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.58693 9.66226 19.0994 7.65932 15.1067 7.36769 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 9.48388 9.66226 7.28361 7.65932 5.65185 7.36769 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 5.79411 8.48638 4.48396 4.26679 8.31932 8.88394 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 9.9404 8.48638 6.89494 4.26679 12.2794 8.88394 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.80191 5.7085 8.86193 5.03181 13.2115 6.6317 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.45717 8.21272 17.6269 5.30646 13.2515 6.84835 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 9.45717 8.21272 17.6269 14.1825 22.7278 8.42748 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 8.68992 6.08141 5.90026 9.13275 7.36698 5.25109 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 8.68992 6.08141 5.90026 11.3808 11.3469 8.21618 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 6.94983 8.70651 4.9377 14.8728 13.7227 9.78181 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 6.94983 8.70651 4.9377 4.03628 9.05071 9.8664 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 8.82941 6.99089 9.2768 4.82331 10.7037 7.00243 numMergedOcc 0
14 mol 271 unq 0 iso 0 dist 7.59727 8.97962 8.66946 5.88597 9.70714 5.92274 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 8.23147 9.76241 4.37645 13.203 12.1618 8.20644 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 6.49176 9.76241 7.70529 13.203 10.8214 8.20644 numMergedOcc 0
17 mol 277 unq 2 iso 0 dist 5.22392 9.17672 6.28695 13.85 10.5329 8.20644 numMergedOcc 0
18 mol 277 unq 3 iso 0 dist 8.20217 9.17672 4.37645 13.85 12.1618 8.20644 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.47799 9.44925 6.19336 11.4465 9.76787 6.73712 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 7.47799 9.44925 6.19336 5.31758 10.7346 9.35704 numMergedOcc 0
