0 mol 28 unq 0 iso 0 dist 8.24316 6.76158 11.1346 4.3475 7.7871 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.24316 7.423 10.8275 4.3475 7.7871 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.24316 5.89257 7.90018 4.3475 7.7871 4.82199 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.68303 6.82511 5.08181 3.97203 5.26566 7.7485 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.08674 8.26805 11.6853 6.27527 5.91098 7.66068 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.08674 9.68577 15.0489 6.27527 5.91098 9.5043 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.33694 8.26805 4.94673 6.27527 4.86523 7.66068 numMergedOcc 0
7 mol 76 unq 3 iso 0 dist 8.33694 9.68577 5.78236 6.27527 4.86523 9.5043 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 8.60438 7.30934 4.77556 4.3421 8.63446 5.24346 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.65028 6.06155 5.08254 7.0652 5.23929 8.71366 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.74889 5.91023 7.22521 5.90092 9.45257 6.5816 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 7.88346 5.24882 5.08025 6.03327 5.33772 4.3855 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 5.16772 7.13397 11.9315 4.38276 6.90472 8.62655 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 9.51286 6.9943 5.79323 4.58167 6.48382 6.96692 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 9.51286 7.36685 7.52317 4.58167 6.48382 8.25286 numMergedOcc 0
15 mol 266 unq 2 iso 0 dist 9.51286 9.03099 9.52953 4.58167 6.48382 9.9965 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 6.92271 7.34927 5.11865 9.69757 4.1545 7.98956 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 6.92271 7.34927 5.11865 10.2113 4.25172 5.86185 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 8.62666 7.54315 5.11865 7.55695 4.1545 7.98956 numMergedOcc 0
19 mol 277 unq 3 iso 0 dist 8.62666 7.54315 5.11865 6.26644 4.25172 5.86185 numMergedOcc 0
