0 mol 2 unq 0 iso 0 dist 8.5893 8.29974 6.13615 14.0366 9.71702 15.7188 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.88525 8.73586 6.13615 11.3269 9.71702 15.7188 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 9.78608 7.55293 7.80501 6.39939 7.64861 10.3416 numMergedOcc 0
3 mol 13 unq 1 iso 0 dist 9.78608 5.37391 9.20629 6.39939 7.64861 10.0776 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 8.45034 7.68085 4.11329 9.20585 8.67928 10.4214 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 5.98456 7.71457 6.29379 4.29919 8.35396 10.0551 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 9.10646 9.76721 13.8923 8.92283 5.76475 13.8486 numMergedOcc 0
7 mol 27 unq 1 iso 0 dist 6.7087 7.95705 9.87826 4.26037 9.74235 5.76475 numMergedOcc 0
8 mol 27 unq 2 iso 0 dist 7.95705 6.7087 9.87826 4.26037 5.76475 9.74235 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 6.59983 9.92579 4.1415 10.0241 8.9303 8.14654 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 9.92579 6.59983 4.1415 10.0241 8.14654 8.9303 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.57191 7.70787 14.366 15.0409 9.69315 18.4536 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 4.83495 5.11803 4.05115 9.04331 7.77766 9.74451 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 9.87572 7.05541 9.85264 13.9156 7.3542 15.9371 numMergedOcc 0
14 mol 151 unq 0 iso 0 dist 8.13302 9.42062 4.05284 11.8762 7.80544 5.59982 numMergedOcc 0
15 mol 151 unq 1 iso 0 dist 5.11555 8.8107 4.05284 12.3644 7.80544 5.59982 numMergedOcc 0
16 mol 151 unq 2 iso 0 dist 9.42062 8.13302 4.05284 11.8762 5.59982 7.80544 numMergedOcc 0
17 mol 151 unq 3 iso 0 dist 8.8107 5.11555 4.05284 12.3644 5.59982 7.80544 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 9.2747 8.45343 6.48594 4.47323 6.73995 8.619 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 8.45343 9.2747 6.48594 4.47323 8.619 6.73995 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.50074 9.58747 7.24167 15.6957 9.60449 11.3494 numMergedOcc 0
