0 mol 32 unq 0 iso 0 dist 8.89682 6.76514 8.39998 6.67704 10.4533 5.52033 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 9.81466 8.72504 7.49965 5.75355 6.78285 4.12819 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 7.38082 8.6039 4.5125 7.78346 7.6174 4.12819 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.10175 8.41365 10.352 9.57335 11.14 13.0229 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.10175 8.41365 10.352 8.60653 7.93241 11.0681 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 4.87423 8.05492 8.13095 8.72533 10.1334 4.27303 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 4.76283 9.27619 8.13095 9.14345 10.1334 4.27303 numMergedOcc 0
7 mol 71 unq 2 iso 0 dist 7.75237 8.05492 5.63957 8.72533 8.8528 4.27303 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.26463 8.05492 7.20747 8.61574 13.6411 8.64853 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.26291 6.16039 12.2551 6.87196 7.91054 6.08911 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.03259 9.30874 9.80135 9.99409 9.21613 4.43678 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 8.03259 5.54873 4.97806 9.99409 9.21613 6.03415 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 5.13722 7.95111 11.1645 6.65725 8.44389 7.4793 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 5.19654 8.52642 10.9221 6.28889 7.03947 4.17434 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 7.68078 5.57537 6.25938 8.78652 11.256 5.96222 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 7.68078 5.57537 6.25938 9.01437 12.6561 10.1011 numMergedOcc 0
16 mol 210 unq 2 iso 0 dist 9.26518 5.57537 12.7024 8.78652 11.3555 5.96222 numMergedOcc 0
17 mol 210 unq 3 iso 0 dist 9.26518 5.57537 12.7024 9.01437 4.94588 10.1011 numMergedOcc 0
18 mol 211 unq 0 iso 0 dist 5.42004 9.62163 5.81423 8.76958 8.01376 13.4337 numMergedOcc 0
19 mol 211 unq 1 iso 0 dist 5.42004 8.48297 7.45134 8.76958 8.01376 6.32033 numMergedOcc 0
20 mol 211 unq 2 iso 0 dist 7.73993 9.62163 11.7695 8.76958 13.9486 13.4337 numMergedOcc 0
21 mol 211 unq 3 iso 0 dist 7.73993 8.48297 9.96364 8.76958 13.9486 6.32033 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 4.3362 8.57161 7.84277 9.75868 11.317 7.24924 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 5.51565 8.57161 5.83946 9.75868 5.72178 7.24924 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.78444 8.5166 13.3407 6.47859 10.225 5.2908 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 8.83777 8.62043 10.0256 7.88238 12.5151 5.7252 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.42812 8.62043 8.46112 7.88238 5.10104 5.7252 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.36655 8.50767 11.5371 5.21664 13.4771 9.09973 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 8.76889 6.10834 7.28266 8.6522 12.7014 9.09973 numMergedOcc 0
29 mol 279 unq 2 iso 0 dist 7.04397 8.24233 7.28266 7.31529 12.7014 9.09973 numMergedOcc 0
30 mol 279 unq 3 iso 0 dist 6.37469 6.10834 5.191 8.6522 9.63044 9.09973 numMergedOcc 0
