0 mol 8 unq 0 iso 0 dist 6.27477 8.76702 8.02605 9.69819 10.3253 6.22971 7.55301 8.99126 14.849 16.9132 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.52969 7.04193 11.6716 9.42188 9.11373 5.6342 12.9126 8.26899 18.0433 16.1794 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.52969 7.15486 10.6169 9.42188 9.11373 8.2405 12.9126 8.26899 13.7148 16.1794 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.91446 9.26343 13.8729 6.6157 7.16919 9.75737 7.39527 4.76815 14.448 7.09065 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 11.6898 8.72704 14.4345 14.4265 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.69757 9.64856 11.0599 8.74658 8.23791 6.26504 12.4356 8.6243 16.8701 11.4282 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 9.69757 6.38977 5.55373 8.74658 8.23791 7.7567 12.4356 8.6243 12.5969 11.4282 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 9.14007 7.42649 9.43674 6.70767 6.93652 11.8898 5.26989 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 5.6688 6.29863 5.6044 5.54495 6.93764 14.5723 9.93639 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 14.3955 6.94688 15.7174 10.3766 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 15.6271 6.71012 16.3976 10.7723 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 6.21588 5.86489 11.2903 13.2566 5.90931 16.9866 11.641 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.06306 9.40939 11.2306 8.53661 15.1193 8.47474 6.32328 8.45368 14.581 13.5848 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 5.87056 9.32448 6.00424 5.31715 8.83563 14.4583 10.4957 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 6.18486 9.93154 9.51866 9.84311 6.48027 10.7656 5.31715 8.83563 14.4583 13.792 numMergedOcc 0
15 mol 227 unq 2 iso 0 dist 6.18486 9.93154 9.51866 8.85568 6.67321 10.3825 5.31715 8.83563 14.4583 9.28891 numMergedOcc 0
16 mol 227 unq 3 iso 0 dist 6.18486 9.18218 4.48529 5.87056 9.32448 9.76735 5.31715 8.83563 12.9801 10.4957 numMergedOcc 0
17 mol 227 unq 4 iso 0 dist 6.18486 9.18218 4.48529 9.84311 6.48027 5.10635 5.31715 8.83563 12.9801 13.792 numMergedOcc 0
18 mol 227 unq 5 iso 0 dist 6.18486 9.18218 4.48529 8.85568 6.67321 8.86483 5.31715 8.83563 12.9801 9.28891 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.29203 7.62771 5.40359 8.03226 10.3871 6.54814 11.091 9.90142 5.9216 10.6749 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.29203 7.80166 10.0191 8.03226 10.3871 14.388 11.091 9.90142 10.7386 10.6749 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 7.62771 9.29203 5.40359 8.03226 6.54814 10.3871 12.4266 9.68513 12.5477 14.4678 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 7.62771 9.29203 5.40359 8.03226 6.54814 10.3871 11.091 5.9216 9.90142 10.6749 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 7.62771 7.80166 10.1648 8.03226 6.54814 14.388 12.4266 9.68513 9.29858 14.4678 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 7.62771 7.80166 10.1648 8.03226 6.54814 14.388 11.091 5.9216 10.7386 10.6749 numMergedOcc 0
25 mol 238 unq 6 iso 0 dist 7.80166 9.29203 10.0191 8.03226 14.388 10.3871 12.4266 9.29858 12.5477 14.4678 numMergedOcc 0
26 mol 238 unq 7 iso 0 dist 7.80166 7.62771 10.1648 8.03226 14.388 6.54814 12.4266 9.29858 9.68513 14.4678 numMergedOcc 0
27 mol 282 unq 0 iso 0 dist 7.90792 7.70229 4.66602 5.94224 6.6348 8.2662 6.63358 7.32347 10.4802 6.8972 numMergedOcc 0
