0 mol 28 unq 0 iso 0 dist 6.14086 6.82151 8.53424 13.0451 11.1346 7.7871 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.76158 4.3475 8.53424 8.24316 11.1346 7.7871 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 6.31487 6.82151 7.08766 13.0451 10.8275 7.7871 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.423 4.3475 7.08766 8.24316 10.8275 7.7871 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.07851 6.82151 4.82199 13.0451 7.90018 7.7871 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.89257 4.3475 4.82199 8.24316 7.90018 7.7871 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.82511 3.97203 7.7485 5.68303 5.08181 5.26566 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.26805 6.27527 7.66068 8.08674 11.6853 5.91098 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.26805 6.27527 7.66068 8.33694 4.94673 4.86523 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 9.68577 6.27527 9.5043 8.08674 15.0489 5.91098 numMergedOcc 0
10 mol 76 unq 3 iso 0 dist 9.68577 6.27527 9.5043 8.33694 5.78236 4.86523 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 7.30934 4.3421 5.24346 8.60438 4.77556 8.63446 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 6.06155 7.0652 8.71366 7.65028 5.08254 5.23929 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.91023 5.90092 6.5816 9.74889 7.22521 9.45257 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 5.24882 6.03327 4.3855 12.1627 11.9534 9.99012 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 5.24882 6.03327 4.3855 7.88346 5.08025 5.33772 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.22151 3.64687 9.54529 9.69223 13.4414 7.78392 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 7.22473 7.91474 8.62655 13.3913 11.9315 6.90472 numMergedOcc 0
18 mol 260 unq 1 iso 0 dist 7.13397 4.38276 8.62655 5.16772 11.9315 6.90472 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 6.9943 4.58167 6.96692 9.51286 5.79323 6.48382 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 7.36685 4.58167 8.25286 9.51286 7.52317 6.48382 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 9.20906 16.8584 9.9965 18.2261 9.52953 6.48382 numMergedOcc 0
22 mol 266 unq 3 iso 0 dist 9.03099 4.58167 9.9965 9.51286 9.52953 6.48382 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.34927 9.69757 7.98956 6.92271 5.11865 4.1545 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 7.34927 10.2113 5.86185 6.92271 5.11865 4.25172 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 7.54315 7.55695 7.98956 8.62666 5.11865 4.1545 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 7.54315 6.26644 5.86185 8.62666 5.11865 4.25172 numMergedOcc 0
