0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 12.9682 9.89425 9.74251 13.6972 9.68636 13.8584 6.54358 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.70325 5.60332 9.82851 4.80254 8.97754 5.29055 12.1996 11.5008 13.6548 9.12845 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.70325 7.30207 9.11311 4.80254 8.97754 4.76998 12.1996 11.5008 10.3756 9.12845 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 9.24708 9.14473 8.75957 12.9186 9.41463 10.0092 9.20429 6.91496 11.7113 7.16132 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.33736 4.92118 6.41008 6.02257 9.10675 5.45005 15.4184 11.884 12.9819 9.97769 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.33736 4.92118 6.41008 6.02257 9.10675 5.45005 14.7599 12.0104 11.3538 9.32706 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.33736 4.92118 6.41008 6.02257 9.10675 5.45005 11.8851 5.87468 9.86039 9.08221 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 8.96898 8.90117 8.21895 5.91118 9.19512 4.09232 13.6275 14.3608 7.56205 9.69044 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 8.96898 8.90117 8.21895 5.91118 9.19512 4.09232 8.54481 5.9487 4.74544 6.9103 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.14241 11.851 7.48947 14.2411 8.30921 9.86691 14.4602 9.12539 14.8636 9.22631 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 4.36944 5.36591 9.57429 6.40382 7.14813 9.90428 9.4286 9.71703 12.9907 7.02507 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.35588 9.12063 5.68985 11.3012 7.36794 8.66149 14.0863 9.11577 14.1868 8.90571 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 8.35588 9.12063 5.68985 11.3012 7.36794 8.66149 16.7196 11.7398 14.6055 6.61112 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 7.7743 3.65199 9.65934 7.45616 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 7.7743 3.65199 9.65934 7.45616 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.06236 4.93516 5.97664 7.7743 3.65199 9.65934 7.45616 numMergedOcc 0
