0 mol 28 unq 0 iso 0 dist 5.38074 9.07545 5.59001 4.15828 6.31089 7.07502 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.38074 6.77538 6.54452 4.15828 6.31089 8.48468 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.07545 5.38074 5.59001 4.15828 7.07502 6.31089 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.07545 6.77538 10.8425 4.15828 7.07502 8.48468 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 6.77538 5.38074 6.54452 4.15828 8.48468 6.31089 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 6.77538 9.07545 10.8425 4.15828 8.48468 7.07502 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.62481 8.72896 8.96454 3.75088 8.64444 11.4712 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.05798 5.85818 9.46857 3.71283 8.34342 7.62197 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.85818 9.05798 9.46857 3.71283 7.62197 8.34342 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 8.01587 8.06396 10.6588 12.9241 8.3735 17.0931 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 6.40901 9.40626 7.96704 4.19541 7.22 12.0797 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.01126 6.58434 7.07861 5.31608 6.90373 10.5264 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.42696 9.83885 4.96481 3.72865 5.19567 10.0719 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 7.37935 7.78247 10.4306 10.4239 7.79105 15.2441 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 6.86795 6.23898 6.52821 4.24855 8.98941 5.4621 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 6.86795 6.23898 6.52821 5.31276 6.45381 8.91819 numMergedOcc 0
16 mol 218 unq 2 iso 0 dist 6.23898 6.86795 6.52821 4.24855 5.4621 8.98941 numMergedOcc 0
17 mol 218 unq 3 iso 0 dist 6.23898 6.86795 6.52821 5.31276 8.91819 6.45381 numMergedOcc 0
18 mol 218 unq 4 iso 0 dist 6.61099 9.67381 6.73047 10.7049 8.98941 15.2902 numMergedOcc 0
19 mol 218 unq 5 iso 0 dist 6.61099 9.67381 6.73047 4.36581 6.45381 12.0395 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 5.2361 6.57207 8.15279 14.0295 9.76731 17.8324 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 5.2361 6.57207 8.15279 10.3309 8.38599 15.6169 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.25677 6.73126 6.33096 6.50127 8.78893 4.61089 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 6.73126 7.25677 6.33096 6.50127 4.61089 8.78893 numMergedOcc 0
