0 mol 28 unq 0 iso 0 dist 6.75443 4.3475 8.79638 9.77719 14.8033 9.2146 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.02508 4.3475 6.42785 9.77719 14.2352 9.2146 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.04621 6.95803 5.75809 6.62508 6.51818 9.2146 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.44081 4.3475 5.75809 9.77719 6.51818 9.2146 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.57776 4.63894 6.89423 12.3286 12.9345 8.78511 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 7.59933 3.24351 6.89423 11.5166 12.9345 8.78511 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.95607 4.36 4.39888 11.2994 8.48041 9.63906 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.95607 6.36428 5.29595 11.2994 8.48041 7.71872 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.66116 8.92564 9.78342 11.4366 6.76244 9.67744 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 5.24705 3.31938 5.8294 9.90751 6.38603 9.36334 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 6.74945 4.56852 5.04072 9.46799 4.8189 6.31365 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 5.15585 3.52029 5.04072 6.05978 4.8189 6.31365 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 6.06868 4.7035 8.33245 10.5257 11.0888 6.39673 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 6.06868 4.7035 8.33245 8.54373 6.80198 7.80676 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 6.84692 5.9338 7.14918 11.4641 6.96767 7.97504 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 9.94974 14.7551 7.72276 13.7054 4.1816 7.90632 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 4.54596 8.07304 7.72276 6.66483 4.1816 7.90632 numMergedOcc 0
17 mol 279 unq 2 iso 0 dist 8.32942 7.39007 7.72276 5.52111 4.1816 7.90632 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.62793 5.28038 9.57637 9.51394 8.58414 4.93516 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.62793 5.28038 9.57637 9.51394 8.58414 4.93516 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 9.62793 5.28038 9.57637 9.51394 8.58414 4.93516 numMergedOcc 0
