0 mol 83 unq 0 iso 0 dist 7.6104 13.468 7.2118 6.72584 4.48523 7.69755 7.36012 5.48555 12.0034 8.94777 numMergedOcc 0
1 mol 83 unq 1 iso 0 dist 7.6104 13.468 7.2118 6.72584 4.48523 7.69755 14.1233 10.4604 5.68174 9.47551 numMergedOcc 0
2 mol 83 unq 2 iso 0 dist 7.6104 13.468 7.2118 6.72584 4.48523 7.69755 10.5201 6.77845 9.39588 9.94528 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 6.29879 6.92975 5.79195 7.84085 4.63862 9.35049 9.45934 6.9268 8.75242 4.82356 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 6.29879 6.92975 5.79195 7.84085 4.63862 9.35049 5.10912 8.19166 6.45333 8.83476 numMergedOcc 0
5 mol 210 unq 0 iso 0 dist 6.61789 5.87078 8.05949 9.72463 4.68656 7.95917 17.8528 14.1595 13.3519 9.49242 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 7.58632 5.53796 5.86911 12.0334 14.085 9.46274 20.5728 22.9052 17.6762 9.68612 numMergedOcc 0
7 mol 239 unq 0 iso 0 dist 6.55222 13.0572 8.86185 17.5848 13.8399 7.24545 18.0499 13.0992 5.29911 8.37701 numMergedOcc 0
8 mol 257 unq 0 iso 0 dist 8.36731 6.35062 8.09912 6.19418 3.67174 8.23073 10.3089 13.4138 15.5338 9.82105 numMergedOcc 0
9 mol 272 unq 0 iso 0 dist 8.19595 9.49668 6.69245 8.3872 5.32967 9.30035 9.05279 11.3957 8.01135 9.99134 numMergedOcc 0
10 mol 272 unq 1 iso 0 dist 8.19595 4.36153 7.90763 8.3872 5.32967 9.51185 9.05279 11.3957 7.26353 9.99134 numMergedOcc 0
11 mol 272 unq 2 iso 0 dist 8.56255 13.1454 6.69245 13.1269 5.32967 9.30035 19.3851 11.3957 8.01135 9.99134 numMergedOcc 0
12 mol 272 unq 3 iso 0 dist 8.56255 13.7982 7.90763 13.1269 5.32967 9.51185 19.3851 11.3957 7.26353 9.99134 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 9.40407 9.16384 8.40726 13.7167 8.01657 6.25845 13.7515 12.2535 5.27724 6.16127 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 9.40407 9.16384 8.40726 13.7167 8.01657 6.25845 13.7515 12.2535 5.27724 6.16127 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 9.40407 9.16384 8.40726 13.7167 8.01657 6.25845 13.7515 12.2535 5.27724 6.16127 numMergedOcc 0
