0 mol 32 unq 0 iso 0 dist 8.85083 12.6167 8.70331 16.4608 8.91596 14.036 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.73501 14.5698 7.02693 6.67306 6.23522 10.8067 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.73501 14.5698 7.02693 17.6159 9.10566 6.58444 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.73501 14.5698 7.02693 5.21248 9.62027 15.7508 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 9.73501 5.79125 8.58248 6.67306 6.23522 7.9573 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 9.73501 5.79125 8.58248 17.6159 9.10566 17.249 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 9.73501 5.79125 8.58248 5.21248 9.62027 4.6248 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 5.98764 7.13718 4.8983 5.53115 7.37171 4.30874 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 5.98764 7.13718 4.8983 10.489 8.62079 6.97502 numMergedOcc 0
9 mol 107 unq 0 iso 0 dist 7.09988 4.25808 7.2168 12.8769 9.45682 13.5052 numMergedOcc 0
10 mol 107 unq 1 iso 0 dist 7.73898 9.37941 7.2168 14.6256 9.45682 13.5052 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 8.83567 13.6213 9.64908 4.38646 6.87434 10.746 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 6.79584 14.3632 9.64908 4.9102 6.87434 10.746 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 7.25771 10.8912 9.57769 13.2553 9.30832 10.9135 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 6.67979 4.04981 8.50362 8.29712 8.57739 10.3233 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 9.32969 16.319 7.56217 10.5763 9.52922 13.445 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.26596 8.09631 9.46274 11.2069 9.06459 14.5108 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.70774 10.1327 4.1545 5.90394 7.42932 10.4297 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.70774 10.1327 4.1545 9.57081 4.9764 5.77904 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 7.0445 11.231 7.94656 9.13951 8.88595 6.99988 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 9.16621 6.66087 7.94656 9.48026 8.88595 6.99988 numMergedOcc 0
