0 mol 9 unq 0 iso 0 dist 9.79863 8.46229 7.50668 7.36079 10.6492 7.05346 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 14.6525 12.3309 8.44506 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 9.42315 8.85372 6.44499 6.90782 9.90053 7.77916 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 7.87523 9.60416 7.26086 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 6.84906 12.0445 8.729 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 5.01124 9.73461 5.74857 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.37388 7.95871 5.19652 7.39793 9.73461 5.74857 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 6.99491 12.0195 9.29384 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 9.19555 5.80441 6.93557 5.05257 13.0248 9.18528 numMergedOcc 0
9 mol 207 unq 0 iso 0 dist 7.98453 9.18896 5.62653 9.17928 11.7406 8.85547 numMergedOcc 0
10 mol 207 unq 1 iso 0 dist 7.98453 9.18896 5.62653 12.5598 12.691 7.96797 numMergedOcc 0
11 mol 212 unq 0 iso 0 dist 9.74234 8.062 9.83647 11.009 7.90906 6.29767 numMergedOcc 0
12 mol 212 unq 1 iso 0 dist 9.74234 8.062 9.83647 12.2246 18.2516 8.74585 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 8.38755 7.30003 6.38157 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 7.78418 15.7621 8.92743 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 9.33775 5.57702 10.9466 7.78418 15.7621 5.77318 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 9.82329 11.623 7.77998 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 9.27027 7.82899 6.64096 5.76954 8.14632 9.95546 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 10.6333 12.9634 9.53063 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.03983 6.42725 7.27401 12.2782 15.636 8.59697 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.43775 7.36905 6.46871 5.7394 9.54836 7.52281 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 6.43775 6.83408 6.62911 5.7394 9.54836 6.42588 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 7.03782 8.49076 13.8866 4.85537 10.28 7.52109 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 7.03782 8.49076 13.8866 9.69449 13.8628 7.44083 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 9.04647 9.65265 5.56999 14.2269 8.9766 7.4099 numMergedOcc 0
