0 mol 20 unq 0 iso 0 dist 9.81561 8.98326 8.26217 6.68339 11.9804 6.54552 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.88078 8.98326 9.51548 6.68339 11.4453 6.54552 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.53599 8.98326 10.9502 6.68339 10.7849 6.54552 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.29373 9.85555 9.05723 5.91728 9.14324 9.23033 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.94809 6.72469 8.98281 6.38389 10.5894 5.88256 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.94809 6.72469 8.98281 9.90566 10.2284 8.63633 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.35752 7.10218 12.0556 12.5791 16.5585 7.75341 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.88238 7.10218 4.3232 12.5791 5.52283 7.75341 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 7.11305 9.32256 12.2217 6.2653 11.6403 6.56673 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 6.85803 9.57959 11.1523 10.3433 13.8476 9.91024 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 6.85803 9.57959 11.1523 8.67837 9.01604 5.60118 numMergedOcc 0
11 mol 108 unq 2 iso 0 dist 5.64136 9.57959 7.29981 10.3433 10.7039 9.91024 numMergedOcc 0
12 mol 108 unq 3 iso 0 dist 5.64136 9.57959 7.29981 8.67837 5.37466 5.60118 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.40368 9.47287 11.9733 6.42728 12.2368 9.88678 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 9.40368 9.47287 11.9733 10.2247 13.6897 7.06547 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.13982 9.00537 11.4066 17.738 21.1549 9.82338 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 7.80503 8.13526 3.57029 13.8513 11.2122 9.68213 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.1579 9.36144 6.40912 8.09615 7.44186 5.83021 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 9.1579 9.36144 6.40912 15.0906 11.9978 9.18711 numMergedOcc 0
19 mol 217 unq 0 iso 0 dist 8.57319 8.28155 4.38808 13.6728 12.7881 8.46235 numMergedOcc 0
20 mol 217 unq 1 iso 0 dist 8.57319 8.28155 4.38808 6.7582 7.01604 5.27487 numMergedOcc 0
