0 mol 48 unq 0 iso 0 dist 5.78969 5.54746 5.7836 7.90364 6.17529 5.54472 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.78969 5.54746 5.7836 11.6061 9.78584 8.62369 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 5.78969 5.54746 5.7836 11.8549 11.505 6.5241 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 5.78969 9.04668 7.32996 16.7431 13.357 8.0812 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 5.7898 5.76412 5.82264 7.78518 6.30002 5.37439 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 5.7898 5.76412 5.82264 11.3308 9.72383 8.3714 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 5.7898 5.76412 5.82264 11.8714 11.5388 6.36817 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 5.7898 9.05746 7.20729 15.614 10.8889 8.65524 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 5.7898 9.05746 7.20729 16.9845 13.697 8.22812 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.59959 5.29172 9.87699 8.32093 3.56619 7.7485 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 9.66687 4.86495 8.47526 9.8911 4.60864 7.53342 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.68242 3.38209 8.47526 7.02043 4.60864 7.53342 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.90709 11.8161 4.92382 8.56285 3.80087 4.88514 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.0262 8.99049 9.62774 7.70581 5.16197 5.60448 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.51714 10.0414 9.31569 13.1599 9.73374 7.25595 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.51714 10.0414 9.31569 12.2869 7.47658 9.94825 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 8.11761 10.3983 5.17607 12.2577 5.6074 6.80296 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.72906 11.7861 9.89191 12.9856 16.2332 9.64861 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 9.43169 7.5396 9.50951 15.8849 11.9238 9.20109 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 5.9438 5.90756 9.50951 9.7726 11.9238 9.20109 numMergedOcc 0
20 mol 291 unq 0 iso 0 dist 6.79272 4.64318 5.40381 10.3101 6.58485 8.95881 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.22213 3.98487 5.91617 9.65095 5.06937 8.07775 numMergedOcc 0
