0 mol 56 unq 0 iso 0 dist 6.78356 4.85596 9.78177 11.5077 5.07125 14.4015 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 6.78356 12.282 7.03635 11.5077 5.07125 4.67834 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.91206 10.7405 8.39494 13.1036 7.69861 6.02262 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.67513 11.5055 8.39494 7.16384 7.69861 6.02262 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 4.66377 9.38487 7.95949 8.26803 9.86664 13.2727 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 6.31314 6.12711 7.00443 5.93188 9.82982 7.59527 numMergedOcc 0
6 mol 158 unq 0 iso 0 dist 7.24115 7.70151 6.64084 4.87865 6.11331 9.87921 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 8.27428 14.4249 7.89418 17.7411 9.79338 5.42667 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 8.27428 5.94269 9.96034 17.7411 9.79338 19.5127 numMergedOcc 0
9 mol 195 unq 0 iso 0 dist 5.46768 5.44336 7.92844 4.79025 6.34234 9.93408 numMergedOcc 0
10 mol 195 unq 1 iso 0 dist 5.46768 5.44336 7.92844 6.01032 7.87972 4.3166 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 9.05206 12.1997 5.6524 4.86533 9.14831 13.7436 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 9.04499 4.98993 5.98014 12.9462 7.97027 11.1253 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 9.04499 4.98993 5.98014 11.0561 6.81955 6.07403 numMergedOcc 0
14 mol 222 unq 2 iso 0 dist 9.04499 4.98993 5.98014 9.50604 4.9876 5.10026 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 7.68769 6.54137 7.61091 12.2324 8.7414 11.9278 numMergedOcc 0
16 mol 250 unq 0 iso 0 dist 9.48115 12.1042 9.59145 7.72649 8.43577 10.3335 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.54084 11.0725 7.30709 4.35925 9.65775 14.0954 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 8.54084 11.0725 7.30709 13.8859 9.50634 4.58993 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.84798 17.447 9.56438 14.4305 5.8304 5.75039 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 8.84798 17.447 9.56438 6.08238 7.37478 15.4744 numMergedOcc 0
