0 mol 9 unq 0 iso 0 dist 7.25179 4.75933 6.33889 14.2876 11.0722 9.82483 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.72522 6.35665 6.33889 15.3427 11.0722 9.82483 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 10.7829 9.75144 12.9279 6.00575 8.62284 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.96262 4.79472 6.33365 13.5034 5.90778 9.48876 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 8.64872 4.79472 5.15851 13.5034 9.12189 9.48876 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 4.75701 8.43244 8.39016 7.63894 8.89062 7.54496 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 9.89618 12.4268 8.39016 6.17315 8.89062 7.54496 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.94909 11.1266 7.92688 12.9002 8.6769 9.4062 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 6.40792 9.78198 8.19104 15.5713 11.5685 8.06396 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 6.40792 9.78198 8.19104 13.3927 8.83949 8.01587 numMergedOcc 0
10 mol 140 unq 2 iso 0 dist 7.81701 5.88778 8.19104 12.5833 11.5685 8.06396 numMergedOcc 0
11 mol 140 unq 3 iso 0 dist 7.81701 5.88778 8.19104 12.1361 8.83949 8.01587 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.25604 5.5355 6.88137 6.96911 7.7635 7.04913 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 9.09857 9.00192 8.31897 13.7762 6.6407 7.54706 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.94593 11.0605 9.31887 17.7728 13.9336 7.01126 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 7.94593 11.0605 9.31887 15.5617 11.873 6.58434 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 6.44896 6.15396 8.36822 10.9886 7.0057 8.53433 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 9.14737 7.69844 8.99696 12.9676 15.4462 9.71865 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.1663 7.28957 4.26212 11.7533 5.90341 7.78247 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 9.1663 7.28957 4.26212 6.98756 5.84474 7.37935 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.84872 13.4086 9.58736 21.7745 15.0089 9.31673 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 8.79626 12.9417 7.32211 15.3883 6.65703 9.31673 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 9.39147 11.562 8.61104 13.9206 6.34358 6.01071 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 7.70059 7.2163 8.61104 10.0629 6.34358 6.01071 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 9.5107 7.39322 6.07192 14.4738 5.99459 8.53148 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 10.3538 5.60748 6.39918 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.45818 8.80851 7.47164 10.8629 6.04016 9.24121 numMergedOcc 0
