0 mol 26 unq 0 iso 0 dist 8.8533 7.54726 6.73259 8.69142 5.30297 9.27369 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.87744 12.5131 6.73259 8.43523 5.30297 9.27369 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 7.2612 11.9212 9.46609 11.5744 5.66783 6.17217 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.05867 6.99148 7.34678 11.2323 9.05781 8.2746 numMergedOcc 0
4 mol 74 unq 0 iso 0 dist 6.2442 5.6967 5.23115 11.2575 5.74282 7.26263 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.05954 5.27016 8.95651 6.15011 8.0763 5.62309 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.05954 5.27016 8.95651 11.0503 12.2082 7.11438 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.36473 4.73128 5.82501 9.84391 8.66057 7.48533 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 7.03633 9.33619 6.4416 14.5932 8.06011 9.49761 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 7.03633 9.33619 6.4416 9.59568 5.19611 6.03154 numMergedOcc 0
10 mol 128 unq 2 iso 0 dist 7.03633 8.7862 6.91935 14.5932 8.06011 9.38436 numMergedOcc 0
11 mol 128 unq 3 iso 0 dist 7.90691 4.9915 6.4416 13.2029 8.06011 9.49761 numMergedOcc 0
12 mol 128 unq 4 iso 0 dist 7.90691 4.9915 6.4416 4.89256 5.19611 6.03154 numMergedOcc 0
13 mol 128 unq 5 iso 0 dist 7.90691 8.28445 6.91935 13.2029 8.06011 9.38436 numMergedOcc 0
14 mol 128 unq 6 iso 0 dist 8.83011 4.9915 7.49024 13.2029 6.42135 9.49761 numMergedOcc 0
15 mol 128 unq 7 iso 0 dist 8.83011 4.9915 7.49024 4.89256 4.68499 6.03154 numMergedOcc 0
16 mol 146 unq 0 iso 0 dist 4.83039 6.08259 5.04351 11.9111 7.59769 8.09482 numMergedOcc 0
17 mol 146 unq 1 iso 0 dist 5.38829 4.67177 5.04351 10.3271 7.59769 8.09482 numMergedOcc 0
18 mol 146 unq 2 iso 0 dist 7.498 6.31044 5.04351 6.75663 7.59769 8.09482 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 6.03116 9.95968 9.2042 12.8363 13.1849 5.60184 numMergedOcc 0
20 mol 154 unq 1 iso 0 dist 6.03116 9.95968 9.2042 12.1945 10.7443 8.86862 numMergedOcc 0
21 mol 154 unq 2 iso 0 dist 6.03116 9.95968 9.2042 14.173 11.4511 7.08477 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 7.87322 9.91529 5.36078 8.76228 11.4153 9.51638 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 6.96229 7.63505 8.06435 11.8219 6.26206 8.42502 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.43941 5.17102 8.15795 12.2653 8.09074 8.12414 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 7.95244 6.59723 7.71972 13.9176 13.2001 9.11072 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 7.95244 6.59723 7.71972 10.3335 4.45396 6.83113 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 7.95244 6.59723 7.71972 10.7045 5.57372 9.44134 numMergedOcc 0
28 mol 274 unq 3 iso 0 dist 5.57832 6.59723 9.76049 13.9176 18.037 9.11072 numMergedOcc 0
29 mol 274 unq 4 iso 0 dist 5.57832 6.59723 9.76049 10.3335 10.4434 6.83113 numMergedOcc 0
30 mol 274 unq 5 iso 0 dist 5.57832 6.59723 9.76049 10.7045 12.4711 9.44134 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.79154 4.91435 9.60904 8.25538 10.8252 8.42076 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 9.79154 4.91435 9.60904 8.25538 10.8252 8.42076 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.79154 4.91435 9.60904 8.25538 10.8252 8.42076 numMergedOcc 0
