0 mol 17 unq 0 iso 0 dist 8.59045 6.25587 4.47542 9.00893 3.8443 3.62282 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 8.84033 9.39717 4.39894 9.56672 3.92866 3.60586 numMergedOcc 0
2 mol 29 unq 1 iso 0 dist 8.84033 9.39717 4.39894 8.00338 9.09595 5.99096 numMergedOcc 0
3 mol 29 unq 2 iso 0 dist 8.46734 9.39717 9.36955 9.56672 8.78564 3.60586 numMergedOcc 0
4 mol 29 unq 3 iso 0 dist 8.46734 9.39717 9.36955 8.00338 8.36994 5.99096 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.48238 7.98414 10.098 8.35776 4.52962 10.8132 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.9259 9.14582 4.92054 9.85185 4.56304 4.17255 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 9.48287 9.46918 8.0334 7.40983 8.27662 6.53944 numMergedOcc 0
8 mol 96 unq 1 iso 0 dist 9.48287 7.64681 8.80734 7.40983 8.27662 7.86339 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.40481 9.66226 16.4222 5.61418 8.734 13.4478 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 7.4713 6.37224 6.06934 7.91691 3.95522 9.33661 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 8.91952 6.37224 11.4548 7.91691 12.8265 9.33661 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 7.38306 8.53734 14.1926 6.80203 6.85043 8.77204 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.621 8.65088 11.0434 7.22151 11.0751 3.87855 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 8.78904 6.7021 4.52457 4.15692 4.86591 3.99887 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 8.68995 9.34175 11.2266 8.71617 13.4601 3.96862 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 5.72892 7.23618 11.1091 7.13397 11.064 4.07425 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 5.72892 7.23618 11.1091 5.33278 4.03195 9.36278 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 4.98594 6.99089 5.01805 7.51951 3.90822 4.72338 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 8.38819 9.88921 14.3851 7.08918 8.31208 6.85669 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.23483 5.54272 6.60931 7.61675 4.955 3.60378 numMergedOcc 0
