0 mol 54 unq 0 iso 0 dist 6.72872 10.3388 5.38191 7.72003 7.16132 5.60003 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 5.84326 4.88072 6.80741 11.3819 9.2898 14.8094 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 6.69301 9.22598 5.04521 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 6.92837 5.74577 9.57969 5.29207 6.9362 10.2162 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 8.85873 11.2532 6.36021 10.8883 5.51831 3.30729 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 12.3287 6.00603 12.2162 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.5055 7.43569 9.4473 6.30012 7.22643 12.9426 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 13.5413 7.81207 9.23267 numMergedOcc 0
8 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 10.4327 7.18002 13.4776 numMergedOcc 0
9 mol 142 unq 2 iso 0 dist 4.93681 5.20379 7.57458 9.85239 7.81207 9.23267 numMergedOcc 0
10 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 8.64092 7.18002 13.4776 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 12.8554 9.11204 9.80877 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.52413 4.62432 7.66381 6.21482 7.2793 6.01218 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.52413 4.62432 7.66381 6.47581 9.51091 5.27656 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 9.52413 4.62432 7.66381 16.7739 7.85184 13.9441 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 12.7286 6.49765 14.6356 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 6.11505 5.03046 8.43584 12.0822 6.49765 14.6356 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 6.22964 5.85716 9.38127 10.9033 9.21377 8.22172 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 6.22964 8.09615 6.97859 10.9033 9.21377 5.84459 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 9.73691 11.0017 4.58599 5.23399 8.22569 9.45322 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 9.73691 10.4464 8.78568 5.23399 8.22569 6.81831 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 6.26533 6.20948 8.69184 4.45177 6.34915 6.70515 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.151 13.1772 9.98528 10.3171 9.57499 19.5312 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 8.53324 7.09461 9.02914 10.3171 5.46926 13.3706 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 8.53324 7.09461 9.02914 10.6814 5.13913 12.1739 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 7.23956 7.09461 6.90434 8.60807 9.35539 8.51268 numMergedOcc 0
26 mol 277 unq 4 iso 0 dist 7.23956 7.09461 6.90434 10.3171 8.9682 13.3706 numMergedOcc 0
27 mol 277 unq 5 iso 0 dist 7.23956 7.09461 6.90434 10.6814 6.92711 12.1739 numMergedOcc 0
28 mol 277 unq 6 iso 0 dist 8.33977 17.7336 9.98528 5.04761 9.57499 19.5312 numMergedOcc 0
29 mol 277 unq 7 iso 0 dist 8.66941 16.013 9.02914 5.04761 5.46926 13.3706 numMergedOcc 0
30 mol 277 unq 8 iso 0 dist 8.66941 16.013 9.02914 8.42957 5.13913 12.1739 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 9.82717 14.401 8.71213 13.1909 7.80862 13.9922 numMergedOcc 0
32 mol 285 unq 1 iso 0 dist 8.33653 8.64319 8.71213 12.4844 7.80862 13.9922 numMergedOcc 0
33 mol 285 unq 2 iso 0 dist 6.44657 14.1417 8.71213 7.67857 7.80862 13.9922 numMergedOcc 0
