0 mol 5 unq 0 iso 0 dist 8.61584 7.44679 8.72524 13.4042 6.98121 8.87945 13.8389 12.0333 6.98653 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.61584 7.44679 8.72524 13.4042 6.98121 8.87945 17.1779 14.3446 10.4477 8.68577 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.61584 7.44679 8.72524 13.4042 6.98121 8.87945 16.6595 14.8032 9.22937 9.70883 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 8.43134 12.2207 9.77719 12.1071 4.3475 9.2146 11.9747 6.76158 16.4255 8.53424 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 8.43134 12.2207 9.77719 12.1071 4.3475 9.2146 14.3271 7.423 16.0765 7.08766 numMergedOcc 0
5 mol 28 unq 2 iso 0 dist 8.43134 12.2207 9.77719 12.1071 4.3475 9.2146 12.8218 5.89257 13.6412 4.82199 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.09741 9.91837 7.15918 11.2729 4.3421 7.62463 10.7721 7.30934 5.4118 5.24346 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.99482 7.98077 6.53198 10.4795 5.23075 4.30875 9.12524 10.0487 3.52445 7.02358 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 7.642 5.68862 5.87263 6.85177 6.5732 7.65903 5.73931 6.18165 3.18152 5.10589 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 7.642 5.68862 5.87263 8.88729 4.14139 5.97653 5.73931 6.18165 3.18152 4.63336 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 7.642 5.68862 5.87263 11.5631 7.73206 7.75523 5.73931 6.18165 3.18152 6.10715 numMergedOcc 0
11 mol 243 unq 0 iso 0 dist 6.30075 5.76716 7.42359 11.4332 6.56644 9.53137 10.6784 8.35328 7.66826 4.55853 numMergedOcc 0
12 mol 243 unq 1 iso 0 dist 9.7462 9.67191 7.42359 15.8367 6.56644 9.53137 15.977 8.35328 7.66826 4.55853 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 7.5129 15.3558 7.97307 15.0955 8.90225 8.51564 16.6935 10.5948 8.22506 7.04263 numMergedOcc 0
14 mol 260 unq 1 iso 0 dist 7.5129 15.3558 7.97307 15.0955 8.90225 8.51564 12.7836 5.33278 3.68866 6.48099 numMergedOcc 0
15 mol 260 unq 2 iso 0 dist 7.5129 9.31424 8.52702 5.33881 4.38276 9.73217 12.1108 7.13397 15.6308 8.62655 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 9.1299 4.38471 7.37164 8.27196 7.52677 6.22311 4.69872 10.8476 5.96434 6.24487 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 9.1299 4.38471 7.37164 8.27196 7.52677 6.22311 4.69872 10.8476 5.96434 6.24487 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.1299 4.38471 7.37164 8.27196 7.52677 6.22311 4.69872 10.8476 5.96434 6.24487 numMergedOcc 0
