0 mol 7 unq 0 iso 0 dist 8.8255 6.0865 6.10226 5.1316 9.49401 6.46501 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8255 7.91041 5.80034 5.1316 9.49401 5.25379 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.8255 13.0659 9.83056 5.1316 9.49401 9.14866 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.87499 13.1527 8.51968 10.8609 7.27643 4.97535 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.37592 12.5179 9.69775 7.48124 8.41903 8.69972 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 7.37592 11.7701 9.01202 7.48124 8.41903 5.89561 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.37149 5.9344 8.02004 6.57673 9.05101 6.21391 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.81788 9.86312 9.18431 6.22691 5.98441 11.3454 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.81788 9.86312 9.18431 7.96366 5.61819 5.20596 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 7.01323 10.199 9.77304 6.22691 5.45873 11.5684 numMergedOcc 0
10 mol 91 unq 3 iso 0 dist 7.01323 10.199 9.77304 7.96366 6.97995 15.1247 numMergedOcc 0
11 mol 91 unq 4 iso 0 dist 6.26129 10.7001 9.18431 10.7783 5.98441 11.3454 numMergedOcc 0
12 mol 91 unq 5 iso 0 dist 6.26129 10.7001 9.18431 5.57242 5.61819 5.20596 numMergedOcc 0
13 mol 91 unq 6 iso 0 dist 5.8881 13.2946 9.77304 10.7783 5.45873 11.5684 numMergedOcc 0
14 mol 91 unq 7 iso 0 dist 5.8881 13.2946 9.77304 5.57242 6.97995 15.1247 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.22064 6.10047 7.97262 8.1428 7.57714 10.7454 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 6.86607 5.70764 5.4981 10.6301 9.13011 6.00221 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 7.55818 7.38057 8.50624 6.45206 8.8483 6.88424 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 9.41761 9.38757 6.33896 6.34447 8.73987 9.31513 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.33469 10.3719 5.47448 4.94738 7.62513 7.03654 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 8.83261 7.2313 6.87275 5.48766 8.04121 4.60741 numMergedOcc 0
