0 mol 32 unq 0 iso 0 dist 7.6082 13.5196 8.89682 16.8661 11.483 8.34024 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.24687 4.38241 8.89682 11.584 11.483 8.34024 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.56911 6.91704 8.39015 12.7939 5.30537 9.43446 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 7.68053 7.84652 8.39015 9.16721 5.30537 9.43446 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.41491 11.1197 8.6728 12.4961 5.54452 7.42204 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 7.09617 6.9006 8.23566 13.7132 11.6733 8.15733 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 9.71431 6.72551 8.97683 9.29817 7.01157 9.13723 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 9.50277 9.33806 8.97683 12.9845 7.01157 9.13723 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.28645 9.10324 9.37708 9.45003 10.9659 7.12413 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 9.64864 11.3821 5.69866 13.9778 5.17358 5.40592 numMergedOcc 0
10 mol 199 unq 0 iso 0 dist 9.61894 5.74514 7.29716 10.9755 6.30608 8.97577 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 9.76309 7.9703 7.15386 17.174 9.91543 9.97733 numMergedOcc 0
12 mol 211 unq 1 iso 0 dist 6.42375 7.9703 7.73993 17.174 13.4388 9.97733 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.71569 8.72971 5.69733 10.5513 5.24956 6.35728 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 8.18597 7.03513 7.99145 11.3168 10.2228 8.34104 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 5.53473 5.62491 9.26487 10.8854 9.81894 9.9594 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.04647 5.88732 7.24089 10.1897 5.06637 5.42845 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 7.91992 4.54209 9.42812 8.96092 7.4578 6.73204 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 9.69083 12.4856 6.15136 14.8039 6.66242 8.30268 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 5.96202 5.49773 6.15136 11.4638 6.66242 8.30268 numMergedOcc 0
20 mol 283 unq 2 iso 0 dist 9.55068 5.8402 6.15136 12.6785 6.66242 8.30268 numMergedOcc 0
