0 mol 28 unq 0 iso 0 dist 7.43758 5.35996 5.75809 14.124 11.6229 8.79638 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.43758 5.35996 5.75809 10.1245 8.39028 6.42785 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.6082 3.82644 6.93709 4.09276 5.43691 6.38271 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 4.09276 3.82644 6.38271 7.6082 5.43691 6.93709 numMergedOcc 0
4 mol 32 unq 2 iso 0 dist 9.24687 7.47409 6.93709 12.344 5.43691 6.38271 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 5.68877 12.1168 7.07773 11.7558 7.67336 9.48195 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 6.30541 3.44879 5.89913 12.3133 7.82906 9.80946 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.14602 3.76713 5.89913 7.41011 7.82906 9.80946 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 7.41011 3.76713 9.80946 6.14602 7.82906 5.89913 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 7.49861 4.24381 9.05343 6.2165 5.8441 7.71528 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 6.2165 4.24381 7.71528 7.49861 5.8441 9.05343 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.04448 9.39313 5.24616 12.2487 5.4823 8.73798 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 4.69926 8.8615 8.12319 16.5479 13.7304 9.04366 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 8.40395 5.37013 6.1247 13.288 11.6042 8.23311 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 8.5081 11.9194 6.1247 13.3529 11.6042 8.23311 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.14877 3.59953 7.39733 8.18021 8.46989 8.74268 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.18021 3.59953 8.74268 9.14877 8.46989 7.39733 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.64341 8.85684 5.04072 14.927 8.85948 9.531 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 7.31315 7.67001 5.04072 14.2777 8.85948 9.531 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.32196 4.71803 5.90826 12.6099 7.27957 8.75412 numMergedOcc 0
