0 mol 25 unq 0 iso 0 dist 8.61491 4.4907 6.69002 10.8815 6.29797 11.2116 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 9.89804 17.7567 9.95327 14.0787 8.70598 4.9076 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 9.89804 5.50549 7.50825 14.0787 8.70598 12.4379 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.66506 8.49428 6.91141 14.7163 8.96616 9.26069 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.66506 8.49428 6.91141 11.5216 6.14542 6.25278 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.13535 7.78899 5.30477 5.75925 5.7684 5.17759 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.18097 14.4152 5.79841 8.08787 5.05893 7.43838 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 9.18097 14.4152 5.79841 10.4844 5.71866 6.41855 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.83135 6.87788 5.79841 11.053 5.05893 7.43838 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.83135 6.87788 5.79841 7.97629 5.71866 6.41855 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.13064 5.40647 5.76109 5.84807 9.19977 10.3243 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.8962 5.40647 8.0955 5.84807 7.28831 10.3243 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 8.2232 11.3094 6.69623 11.187 8.24419 4.25315 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.2232 9.69198 6.21951 11.187 8.24419 4.89614 numMergedOcc 0
14 mol 206 unq 2 iso 0 dist 6.07229 8.73597 6.69623 7.49802 8.24419 4.25315 numMergedOcc 0
15 mol 206 unq 3 iso 0 dist 6.07229 4.95828 6.21951 7.49802 8.24419 4.89614 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.33514 17.4612 9.32649 7.86389 9.23863 15.5092 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.25162 6.32212 6.23146 12.9179 6.59036 11.433 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 5.94449 9.69939 6.12347 6.08238 8.98854 11.9254 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 7.66302 8.76427 8.16582 6.08238 9.42255 4.62039 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.67838 6.27756 9.46421 14.3247 8.6233 11.7127 numMergedOcc 0
