0 mol 13 unq 0 iso 0 dist 5.04036 6.39939 7.98679 8.37063 6.00386 5.99004 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.04036 6.39939 7.98679 6.80844 9.78622 9.65051 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 9.44958 14.2898 7.98679 9.76679 6.00386 5.99004 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 9.44958 14.2898 7.98679 18.8272 9.78622 9.65051 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.27883 12.015 9.63403 19.6422 14.262 9.13116 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.03812 10.0797 7.03307 7.41011 5.75226 5.81645 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 7.03812 6.29545 7.25707 7.41011 5.75226 6.75026 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 5.74389 6.32283 6.40693 9.90174 4.28426 8.87151 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.28282 5.26304 6.66954 6.40355 8.88275 9.61367 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.95651 4.1125 9.05259 4.98783 12.5077 6.48163 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.1835 6.49348 7.12072 13.149 8.22571 9.21645 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 6.62468 12.1443 9.13191 11.8403 11.923 6.87196 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.27702 4.34786 6.48674 7.46875 6.3223 5.43662 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 9.3832 4.04072 9.79069 10.849 13.082 8.68243 numMergedOcc 0
14 mol 163 unq 1 iso 0 dist 6.0247 12.5525 9.79069 16.5124 13.082 8.68243 numMergedOcc 0
15 mol 163 unq 2 iso 0 dist 6.40873 8.81556 9.79069 13.4876 13.082 8.68243 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.81373 4.13135 5.0804 10.317 5.71442 6.47859 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 8.28871 14.7332 7.21655 13.4154 5.86656 6.12402 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 7.94668 10.3515 7.21655 11.8791 5.86656 6.12402 numMergedOcc 0
