0 mol 7 unq 0 iso 0 dist 6.16125 6.3236 7.31201 12.8676 10.789 7.10621 20.9845 20.1368 14.6665 9.8603 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.34656 15.0884 6.36911 13.0935 6.06176 8.41585 17.9044 10.9688 10.6104 5.51421 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.34656 6.3236 9.36807 12.8676 10.515 7.10621 20.9845 20.1827 14.6665 9.8603 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 5.97065 10.1933 9.16962 12.8678 11.887 8.34347 14.5971 17.1125 15.0931 9.7522 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.43229 5.98221 7.76729 11.172 10.9739 5.83991 11.363 13.1716 6.75472 5.02717 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 9.80337 10.3931 7.34519 19.5766 13.1312 9.30299 16.1661 13.306 8.60326 9.42513 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.59094 11.0811 7.92688 8.95433 4.68409 7.11802 15.4773 11.5756 5.37072 9.50322 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.59094 11.0811 7.92688 13.7786 12.2037 8.00618 15.4773 11.5756 5.37072 5.82404 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 9.4422 12.4033 8.62646 6.53913 6.58937 9.87651 4.88159 9.19849 8.66436 5.59806 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 6.45574 9.66021 5.4638 9.7911 14.8164 5.23741 8.48065 numMergedOcc 0
10 mol 235 unq 1 iso 0 dist 5.71896 6.01036 9.58736 8.14407 9.66021 5.4638 10.656 14.8164 5.23741 8.48065 numMergedOcc 0
11 mol 235 unq 2 iso 0 dist 8.3229 17.1296 9.58736 15.9155 9.66021 5.4638 22.1301 14.8164 5.23741 8.48065 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.89216 11.0676 6.91569 16.8665 10.9761 6.57393 20.9369 17.1186 10.3859 9.13537 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 6.62086 7.30165 9.29858 9.75977 13.069 5.72887 9.52763 12.9182 12.521 9.94315 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 6.62086 7.30165 9.29858 9.75977 13.069 5.72887 4.74813 9.77231 9.18011 8.59074 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 6.62086 7.30165 9.29858 9.75977 13.069 5.72887 4.99355 10.2583 4.7157 6.2365 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 6.50118 5.18833 9.29858 10.5161 13.069 5.72887 14.3608 12.9182 12.521 9.94315 numMergedOcc 0
17 mol 238 unq 5 iso 0 dist 6.50118 5.18833 9.29858 10.5161 13.069 5.72887 10.0091 9.77231 9.18011 8.59074 numMergedOcc 0
18 mol 238 unq 6 iso 0 dist 6.50118 5.18833 9.29858 10.5161 13.069 5.72887 6.4298 10.2583 4.7157 6.2365 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 5.50677 14.447 9.0012 10.1737 5.12409 6.24356 16.4662 11.0809 3.93713 8.19504 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 8.75957 14.447 9.5784 10.1737 9.67998 6.24356 16.4662 11.1852 3.93713 8.19504 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 6.27189 9.92738 7.67853 12.454 6.64985 8.48753 15.0607 11.6311 5.26991 9.64596 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 7.86196 9.62211 9.03492 7.77765 6.17102 8.15665 6.22911 11.886 10.2761 7.98617 numMergedOcc 0
