0 mol 43 unq 0 iso 0 dist 9.36315 7.81257 12.0361 9.92963 3.77829 11.9481 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.36315 7.81257 12.0361 8.07389 13.764 14.0086 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 9.47443 7.90905 10.7909 8.96938 15.1144 6.5591 numMergedOcc 0
3 mol 136 unq 0 iso 0 dist 9.14098 6.6829 5.02534 9.71323 9.79072 11.689 numMergedOcc 0
4 mol 167 unq 0 iso 0 dist 9.15244 5.7126 12.6201 7.71402 12.7113 5.91574 numMergedOcc 0
5 mol 167 unq 1 iso 0 dist 9.15244 5.7126 12.6201 4.74768 5.81715 8.72404 numMergedOcc 0
6 mol 167 unq 2 iso 0 dist 8.08948 5.7126 5.7816 7.71402 10.9557 5.91574 numMergedOcc 0
7 mol 167 unq 3 iso 0 dist 8.08948 5.7126 5.7816 4.74768 7.90903 8.72404 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.37716 5.10299 4.72035 9.26152 3.8992 4.7597 numMergedOcc 0
9 mol 180 unq 0 iso 0 dist 7.54921 7.11604 6.03283 8.90665 10.0233 8.21885 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 9.01501 5.29752 5.11658 8.59119 8.26148 6.35587 numMergedOcc 0
11 mol 189 unq 1 iso 0 dist 9.01501 8.95776 11.3703 8.59119 8.26148 5.78902 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 9.54728 7.41627 9.18007 7.80503 12.7091 5.01749 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 7.21783 8.02547 4.05118 6.09565 8.54506 9.41207 numMergedOcc 0
14 mol 256 unq 0 iso 0 dist 9.51909 6.43566 10.6677 8.602 4.82268 12.4997 numMergedOcc 0
15 mol 256 unq 1 iso 0 dist 9.51909 6.43566 10.6677 9.23641 10.7672 11.0528 numMergedOcc 0
16 mol 256 unq 2 iso 0 dist 7.00531 6.43566 11.0275 8.602 3.91258 12.4997 numMergedOcc 0
17 mol 256 unq 3 iso 0 dist 7.00531 6.43566 11.0275 9.23641 6.4401 11.0528 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.21215 4.74121 6.70951 9.85095 9.97875 13.5515 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.21215 4.74121 6.70951 8.25191 3.82419 5.91382 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 7.21215 4.74121 6.70951 7.35056 6.54999 5.46456 numMergedOcc 0
