0 mol 26 unq 0 iso 0 dist 8.11402 6.29981 5.84066 13.9319 6.66387 9.63803 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.62305 14.5373 6.78936 15.5878 6.72058 6.56549 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 7.61429 5.01743 7.58093 8.61714 5.25639 5.40748 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 5.86276 6.12049 5.47706 13.2848 10.1263 7.32064 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 5.86276 6.12049 5.47706 9.95361 6.88255 4.62314 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 5.86276 12.8531 8.07568 13.2848 10.1263 5.85007 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 5.86276 12.8531 8.07568 9.95361 6.88255 6.35234 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 8.16546 8.07529 5.47706 11.1617 10.1263 7.32064 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 8.16546 8.07529 5.47706 7.50417 6.88255 4.62314 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 8.16546 12.9164 8.07568 11.1617 10.1263 5.85007 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 8.16546 12.9164 8.07568 7.50417 6.88255 6.35234 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.41059 6.05927 8.0168 10.7616 10.3316 8.42219 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.87854 14.5706 6.55202 14.6382 6.02826 5.90003 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 6.80155 9.96378 7.06851 11.7646 6.39941 7.30338 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.69154 10.0898 9.27218 7.75422 4.40086 6.0033 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 9.49122 13.0947 9.27218 12.2293 4.40086 6.0033 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 6.57783 5.97248 8.5613 10.9149 10.3966 7.27503 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 6.18853 5.97248 5.7791 10.9149 5.51525 7.27503 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 6.87568 7.95433 9.60574 5.33054 6.40657 8.4275 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 6.50648 7.04425 9.60574 8.56376 6.40657 8.4275 numMergedOcc 0
