0 mol 26 unq 0 iso 0 dist 9.32113 9.65198 9.72597 4.56199 7.90721 5.7075 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.50983 7.09077 8.62842 8.13434 7.99016 13.5457 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.50983 7.09077 8.62842 9.18004 6.41793 13.891 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 6.50983 7.09077 8.62842 8.87798 6.50101 11.5159 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 6.50983 11.4396 8.27298 8.13434 7.99016 15.5017 numMergedOcc 0
5 mol 39 unq 4 iso 0 dist 6.50983 11.4396 8.27298 9.18004 6.41793 14.3169 numMergedOcc 0
6 mol 39 unq 5 iso 0 dist 6.50983 11.4396 8.27298 8.87798 6.50101 12.1737 numMergedOcc 0
7 mol 39 unq 6 iso 0 dist 6.50983 13.8958 8.56111 8.13434 7.99016 14.9261 numMergedOcc 0
8 mol 39 unq 7 iso 0 dist 6.50983 13.8958 8.56111 9.18004 6.41793 12.978 numMergedOcc 0
9 mol 39 unq 8 iso 0 dist 6.50983 13.8958 8.56111 8.87798 6.50101 10.8309 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 6.59067 6.25329 9.01516 9.87628 5.07125 13.6231 numMergedOcc 0
11 mol 56 unq 1 iso 0 dist 6.59067 10.4079 7.31255 9.87628 5.07125 8.33154 numMergedOcc 0
12 mol 68 unq 0 iso 0 dist 7.65992 9.34715 9.48391 8.42586 8.05514 15.0868 numMergedOcc 0
13 mol 71 unq 0 iso 0 dist 9.40222 6.46454 9.0907 4.70063 9.16452 7.5886 numMergedOcc 0
14 mol 71 unq 1 iso 0 dist 8.87417 12.7619 9.0907 6.52737 9.16452 7.5886 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.26179 14.2641 8.0534 15.7193 7.69861 11.5328 numMergedOcc 0
16 mol 74 unq 0 iso 0 dist 9.9321 6.76324 9.60205 8.23298 6.3567 11.588 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 9.89116 7.11469 7.20629 15.7791 9.6121 9.24957 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.89116 7.11469 7.20629 13.4766 9.57341 12.6962 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.83401 7.587 6.39075 9.97336 9.05336 10.3049 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 7.55147 10.1572 8.44479 4.93673 7.17037 6.21272 numMergedOcc 0
21 mol 173 unq 1 iso 0 dist 7.55147 7.73964 9.00002 4.93673 7.17037 10.8086 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.52129 15.5232 9.62121 6.10342 6.53286 14.0336 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 8.96556 11.3202 9.55021 14.9079 7.49391 15.5685 numMergedOcc 0
