0 mol 39 unq 0 iso 0 dist 9.81466 8.27298 12.3968 15.5017 19.9631 7.99016 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 9.81466 8.27298 12.3968 14.3169 18.2584 6.41793 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 9.81466 8.27298 12.3968 12.1737 18.7006 6.50101 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 7.38082 8.56111 10.2533 14.9261 16.9512 7.99016 numMergedOcc 0
4 mol 39 unq 4 iso 0 dist 7.38082 8.56111 10.2533 12.978 13.9422 6.41793 numMergedOcc 0
5 mol 39 unq 5 iso 0 dist 7.38082 8.56111 10.2533 10.8309 14.486 6.50101 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.49909 9.01516 13.124 13.6231 17.6728 5.07125 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 7.86678 9.0907 10.0193 7.5886 11.8197 9.16452 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.53504 8.0534 10.565 11.5328 17.1469 7.69861 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.66342 8.0534 10.0209 11.5328 16.1286 7.69861 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.21285 8.0534 6.28525 11.5328 13.3855 7.69861 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.95094 8.0534 5.32605 11.5328 10.2244 7.69861 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 3.59451 8.70888 11.7752 10.3972 11.9765 6.83746 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 9.40608 9.31118 12.3511 10.1006 17.9423 8.66815 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.89564 6.39075 5.45144 10.3049 13.276 9.05336 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 7.99446 7.27943 10.149 8.3084 13.3989 6.09987 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 7.21636 7.27943 5.77969 8.3084 8.61415 6.09987 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 5.94075 5.59924 4.77713 5.37396 8.95292 5.13268 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.59797 9.85967 13.6418 13.1165 19.5557 8.999 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.09373 5.31166 8.13761 6.3473 13.4293 8.57801 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 5.19654 7.46207 7.98055 14.5951 14.964 7.39445 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.8978 9.2457 4.7189 6.24324 10.6204 8.52295 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.88102 7.84195 15.0876 5.03747 10.2668 5.8304 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 7.88102 7.84195 15.0876 14.9354 21.534 7.37478 numMergedOcc 0
24 mol 279 unq 2 iso 0 dist 7.93694 7.84195 13.7974 5.03747 9.97712 5.8304 numMergedOcc 0
25 mol 279 unq 3 iso 0 dist 7.93694 7.84195 13.7974 14.9354 20.1388 7.37478 numMergedOcc 0
26 mol 279 unq 4 iso 0 dist 8.36655 5.65882 7.91886 5.03816 8.9352 5.81528 numMergedOcc 0
