0 mol 7 unq 0 iso 0 dist 6.10226 9.49401 6.46501 4.24307 5.77374 11.4767 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 9.49401 5.25379 4.24307 8.57437 11.4767 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.28226 9.52901 6.73919 6.98135 9.33202 14.0537 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.28226 9.52901 6.73919 4.31442 6.55004 11.4019 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.28226 9.52901 6.73919 9.07263 7.16614 13.7295 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 7.28226 9.52901 6.73919 12.8734 9.35188 15.8935 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.77304 5.45873 11.5684 4.23182 9.83906 5.51406 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 9.77304 6.97995 15.1247 4.23182 9.83906 10.8615 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.44186 8.62881 4.7483 4.01477 6.59382 5.59552 numMergedOcc 0
9 mol 108 unq 0 iso 0 dist 6.29966 8.50992 4.70778 7.65804 5.52402 9.51844 numMergedOcc 0
10 mol 108 unq 1 iso 0 dist 6.29966 8.50992 4.70778 9.35984 6.79804 10.9819 numMergedOcc 0
11 mol 108 unq 2 iso 0 dist 9.31725 9.88259 12.5554 14.3699 5.52402 17.8123 numMergedOcc 0
12 mol 108 unq 3 iso 0 dist 9.31725 9.88259 12.5554 11.9597 6.79804 16.1748 numMergedOcc 0
13 mol 108 unq 4 iso 0 dist 9.31725 8.00008 4.70778 14.3699 5.52402 9.51844 numMergedOcc 0
14 mol 108 unq 5 iso 0 dist 9.31725 8.00008 4.70778 11.9597 6.79804 10.9819 numMergedOcc 0
15 mol 108 unq 6 iso 0 dist 9.57358 7.79698 4.70778 13.8903 5.52402 9.51844 numMergedOcc 0
16 mol 108 unq 7 iso 0 dist 9.57358 7.79698 4.70778 13.7036 6.79804 10.9819 numMergedOcc 0
17 mol 108 unq 8 iso 0 dist 5.38329 7.18748 4.70778 4.85222 5.52402 9.51844 numMergedOcc 0
18 mol 108 unq 9 iso 0 dist 5.38329 7.18748 4.70778 10.7411 6.79804 10.9819 numMergedOcc 0
19 mol 108 unq 10 iso 0 dist 7.62421 7.18748 6.76634 4.85222 7.57593 9.51844 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.77889 8.9967 6.14427 4.26345 8.89412 12.7913 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 9.18505 9.68996 18.7407 6.45157 8.63817 14.4891 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 6.51568 6.23981 11.0332 9.19308 7.42783 11.2801 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 6.51568 5.92441 5.61269 9.19308 7.42783 12.2742 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.5831 9.33455 16.0222 5.55026 9.36753 14.6064 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.86905 6.62283 11.9863 8.46302 8.20243 12.6054 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 6.86905 8.60978 13.0383 8.46302 8.20243 16.6768 numMergedOcc 0
