0 mol 37 unq 0 iso 0 dist 8.98177 9.03346 4.95968 9.45747 9.25986 13.1988 14.9484 9.16636 13.8377 7.65802 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.71103 7.06029 8.14479 6.05149 7.41952 6.65972 5.55798 9.57704 4.13187 8.64686 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 8.63018 7.84813 6.14663 5.0466 7.07421 4.4077 6.65878 5.06265 6.61102 7.6453 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 6.85651 4.82356 3.75786 8.75242 9.07294 9.35049 6.9268 5.35551 4.63862 5.79195 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 6.85651 4.82356 3.75786 14.0828 7.50126 10.3668 6.9268 5.35551 4.63862 9.2759 numMergedOcc 0
5 mol 133 unq 2 iso 0 dist 7.03858 8.83476 3.75786 6.45333 9.07294 9.35049 8.19166 5.35551 4.63862 5.79195 numMergedOcc 0
6 mol 133 unq 3 iso 0 dist 7.03858 8.83476 3.75786 11.5586 7.50126 10.3668 8.19166 5.35551 4.63862 9.2759 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 8.52428 8.76449 10.4515 7.75436 9.13646 14.6837 5.47265 4.61905 10.0388 5.32865 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 8.52428 8.36182 9.02691 7.75436 9.13646 14.6067 5.47265 4.61905 9.71714 5.32865 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.22427 6.81449 5.6048 14.778 9.71692 11.6654 13.508 11.8278 9.11209 9.18753 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 9.32504 6.87593 5.53516 14.922 9.73708 11.7448 13.5808 11.6537 9.091 9.15244 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.12583 7.69952 4.41312 10.2313 9.94142 10.3073 13.5305 8.05438 7.87733 8.46819 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 7.252 5.05414 9.52346 13.2525 7.30965 15.7742 9.78743 5.21255 10.6325 6.2016 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 7.252 5.05414 9.52346 13.2525 7.30965 15.7742 11.7278 5.1366 12.4141 8.3453 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 7.252 7.16964 6.78691 13.2525 7.30965 12.9612 9.78743 5.21255 7.64178 6.2016 numMergedOcc 0
15 mol 192 unq 3 iso 0 dist 7.252 7.16964 6.78691 13.2525 7.30965 12.9612 11.7278 5.1366 7.95423 8.3453 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.19213 8.49554 3.72258 5.55359 7.00683 9.92651 13.5496 8.61406 11.8097 9.52029 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 5.67196 8.29256 3.72258 4.72843 7.00683 9.92651 10.6489 8.61406 11.8097 9.52029 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 5.67196 7.8274 7.27203 4.72843 7.00683 11.7622 10.6489 8.61406 11.524 9.52029 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 7.90132 9.35302 7.27864 5.37953 7.53773 10.5131 12.7983 6.85055 11.2431 9.243 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 7.90132 8.85163 13.4741 5.37953 7.53773 14.1679 12.7983 6.85055 20.0233 9.243 numMergedOcc 0
