0 mol 25 unq 0 iso 0 dist 9.22151 8.00738 6.11127 6.63966 8.50222 11.4912 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.22122 8.00738 5.30154 6.63966 7.55264 11.4912 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.53042 8.94022 6.10646 5.9029 7.12365 11.7632 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.2147 9.3727 10.1786 5.78327 9.81166 13.5012 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.00902 8.7005 7.53829 8.07487 5.73743 11.6967 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 9.00902 8.2802 12.9568 8.07487 5.73743 15.1149 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.85841 6.04768 11.3905 4.81103 5.78706 7.14031 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.78839 9.40173 11.3905 7.22196 5.78706 7.14031 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.05602 8.31266 15.089 11.0132 6.65501 18.9652 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.05602 8.51459 13.8849 11.0132 6.65501 18.8241 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.00285 6.04768 4.67519 4.81103 5.59328 7.14031 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 8.02354 9.40173 4.67519 7.22196 5.59328 7.14031 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.22596 9.66995 4.86592 6.21679 7.80975 5.75014 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.56324 6.36749 9.75737 11.0196 7.38135 14.4785 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.85527 8.05937 7.45148 7.21894 8.99399 7.20249 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.90247 9.99409 8.91338 6.56225 6.2479 12.1629 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 6.58792 9.99409 11.85 6.56225 6.22122 12.1629 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.89211 6.71099 6.2188 7.46856 8.50102 9.78181 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.67917 8.52162 8.1195 5.11183 7.57812 10.6756 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 5.67917 8.52162 8.1195 6.32646 8.69104 5.92374 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 5.70546 8.6522 12.6264 4.99186 7.23721 13.0066 numMergedOcc 0
