0 mol 20 unq 0 iso 0 dist 8.45034 13.3556 9.4228 9.20585 8.67928 8.96335 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.10646 4.91484 8.8018 8.92283 5.76475 6.35516 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.95705 10.4607 8.8018 4.26037 5.76475 6.35516 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.26289 5.998 9.32771 4.34206 7.43769 6.52881 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 8.26289 5.998 9.32771 6.01868 5.2315 10.2374 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 4.83495 6.88024 8.99376 9.04331 7.77766 15.5623 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.57112 5.89399 6.84197 12.9454 9.18792 7.16919 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.10397 3.89035 6.92671 5.11507 6.97739 6.12107 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.10397 3.89035 6.92671 5.77916 8.4705 5.42531 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.43487 11.0812 5.82487 14.8221 5.9758 9.76608 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.97052 8.67499 5.82487 13.6711 5.9758 9.76608 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 7.3324 5.19652 5.82487 9.69428 5.9758 9.76608 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.29634 12.1192 8.20715 4.01593 7.84768 10.9441 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 6.29634 5.3154 6.16081 4.01593 7.84768 6.42402 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.80778 13.46 8.75049 8.9356 8.966 14.8102 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 6.58803 13.7612 8.75049 6.26174 8.966 14.8102 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 9.96967 12.9605 8.75049 5.53181 8.966 14.8102 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 6.31523 4.64588 8.75049 14.5316 8.966 14.8102 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.33272 14.7094 9.83935 5.18732 7.81069 11.7429 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 8.71602 4.94882 9.16817 6.24225 7.51714 8.98536 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 5.68936 4.24014 7.27415 4.20164 6.72501 7.04666 numMergedOcc 0
21 mol 251 unq 0 iso 0 dist 6.32455 12.3975 9.207 9.91455 7.81441 12.5663 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 7.81415 11.0354 8.25636 10.5903 7.36223 5.72887 numMergedOcc 0
