0 mol 13 unq 0 iso 0 dist 8.05984 6.67016 9.11447 7.97656 11.1987 5.78148 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.05984 6.67016 9.11447 11.8686 12.0488 6.26071 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 8.05984 6.67016 9.11447 14.9969 14.2112 8.43325 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 4.9128 7.13575 9.41723 8.42147 7.59143 7.71107 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.03277 12.6692 6.42785 17.2149 8.84655 8.33077 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 9.03277 9.65804 6.82089 11.8602 10.3933 9.28592 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 5.96285 9.78167 7.01133 14.0332 10.1972 5.49226 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 5.96285 9.78167 7.01133 13.5686 8.54341 6.28351 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 8.583 9.16009 6.28417 14.5291 6.53652 7.72144 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 9.66843 8.3352 7.13269 13.074 4.57561 7.25742 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 6.84347 10.9098 7.01126 11.4946 11.1651 7.35824 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 6.84347 5.31207 6.58434 11.4946 11.1651 9.17364 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.3134 8.88917 5.98771 12.1615 5.25267 4.92088 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 5.20764 5.49143 5.98771 8.0974 5.25267 4.92088 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 5.59438 6.78683 6.21206 10.2743 6.47974 8.77887 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.55725 10.7217 9.79691 15.1561 13.6975 6.60567 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 8.55725 10.7217 9.79691 12.8586 6.08211 7.62942 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 6.35728 5.20422 5.10114 8.49704 6.67959 6.38157 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.34104 7.69431 7.1372 9.17826 6.43754 8.03442 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.73204 8.7465 7.25677 10.9325 9.92201 6.57903 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.73204 8.7465 7.25677 9.76735 7.29899 9.65707 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 6.73204 11.1293 6.73126 12.5967 6.21891 9.3936 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 9.79549 6.85098 6.353 14.0198 5.9438 8.0241 numMergedOcc 0
23 mol 282 unq 1 iso 0 dist 9.69725 8.9468 6.353 9.12049 5.9438 8.0241 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 9.20616 10.9639 8.32473 14.1357 6.17102 9.13907 numMergedOcc 0
