0 mol 13 unq 0 iso 0 dist 8.75871 9.64318 11.7492 7.04754 8.47514 14.8878 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 8.75871 9.64318 11.7492 9.78361 7.39086 17.267 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.1366 8.1133 10.5092 10.107 6.01053 13.5516 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 8.1366 8.44727 14.829 10.107 6.01053 18.3437 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 7.53599 8.98326 10.9502 11.4329 9.4228 18.7262 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 8.29395 9.3973 9.1215 9.3844 7.39438 15.4479 numMergedOcc 0
6 mol 21 unq 1 iso 0 dist 6.51419 7.01513 8.64046 7.33018 7.39438 13.5668 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 7.29373 9.85555 9.05723 5.46715 9.89546 6.6263 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.94809 6.72469 8.98281 5.53078 9.18809 12.0495 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.35752 7.10218 12.0556 5.53115 5.62694 11.0158 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.02428 9.6088 8.39722 13.4868 8.72013 14.9977 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 6.85803 9.57959 11.1523 5.45706 9.13454 14.8434 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.40368 9.47287 11.9733 12.7556 7.13306 18.2276 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 6.58855 8.89822 9.907 5.3864 6.21943 13.0153 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.13982 6.04336 4.4877 4.70216 9.37545 9.3498 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.13982 6.04336 4.4877 6.13422 6.02579 7.05695 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 8.13982 9.00537 11.4066 4.70216 9.37545 13.6831 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 8.13982 9.00537 11.4066 6.13422 6.02579 11.651 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 9.1579 9.36144 6.40912 13.5094 7.03546 11.3281 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 9.1579 9.36144 6.40912 15.3449 9.62822 15.8401 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 9.67363 7.78879 7.62763 12.2549 5.31041 12.3187 numMergedOcc 0
