0 mol 7 unq 0 iso 0 dist 7.38748 6.22892 5.0893 9.96415 4.65291 6.88805 7.15287 6.8464 8.41585 5.99459 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 8.14598 5.37421 5.69214 9.20254 12.0295 6.86014 7.95042 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 9.899 4.63989 13.4227 9.73304 16.8033 9.67592 15.4984 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 7.50921 7.78799 10.9021 5.87956 10.2053 7.38797 12.595 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 6.97936 6.1999 6.77898 10.2219 14.6364 6.97941 9.76346 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 8.92801 9.63295 9.40823 8.39573 3.97523 5.93724 12.5935 12.8027 7.63312 9.01624 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 8.39573 9.76508 5.93724 12.5935 11.9989 7.63312 9.01624 numMergedOcc 0
7 mol 214 unq 0 iso 0 dist 5.86911 9.4835 13.1789 8.44407 4.54444 13.9529 14.5108 19.5839 8.82096 19.873 numMergedOcc 0
8 mol 214 unq 1 iso 0 dist 5.86911 9.4835 13.1789 6.0155 7.05353 8.52282 14.5108 19.5839 8.82096 13.9627 numMergedOcc 0
9 mol 214 unq 2 iso 0 dist 5.86911 9.4835 13.1789 8.89981 12.9344 8.48942 14.5108 19.5839 8.82096 13.7978 numMergedOcc 0
10 mol 214 unq 3 iso 0 dist 7.89258 9.4835 10.1543 8.44407 5.33718 13.9529 14.5108 17.6894 8.82096 19.873 numMergedOcc 0
11 mol 214 unq 4 iso 0 dist 7.89258 9.4835 10.1543 6.0155 5.12324 8.52282 14.5108 17.6894 8.82096 13.9627 numMergedOcc 0
12 mol 214 unq 5 iso 0 dist 7.89258 9.4835 10.1543 8.89981 12.8738 8.48942 14.5108 17.6894 8.82096 13.7978 numMergedOcc 0
13 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 7.5808 9.46802 9.46742 11.4946 18.1661 8.77153 13.9583 numMergedOcc 0
14 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 7.5808 9.46802 9.46742 13.1422 19.8848 8.6166 16.7527 numMergedOcc 0
15 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 7.5808 13.1129 9.46742 11.4946 20.1459 8.77153 13.9583 numMergedOcc 0
16 mol 223 unq 3 iso 0 dist 8.87456 9.94212 17.7343 7.5808 13.1129 9.46742 13.1422 20.15 8.6166 16.7527 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 9.67162 10.7395 4.66414 5.52669 9.44496 8.04248 8.23087 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 4.71683 6.73134 7.41812 9.67162 10.7395 4.66414 5.27568 9.13551 8.35971 11.5798 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 9.6327 8.78474 13.987 9.78068 9.04358 6.42289 15.8864 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 7.25618 8.81059 4.51422 9.6327 11.3267 13.987 9.78068 10.0455 6.42289 15.8864 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 8.15119 8.35794 7.94155 9.91103 13.1828 17.6038 5.77904 4.81916 9.7748 8.9682 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 8.15119 8.35794 7.94155 7.0603 10.6994 14.772 5.77904 4.81916 9.7748 6.92711 numMergedOcc 0
