0 mol 17 unq 0 iso 0 dist 6.25587 4.67638 7.25951 10.6511 7.92012 7.31113 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 6.25587 10.6511 7.92012 4.67638 7.25951 7.31113 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.28637 13.5841 5.86181 4.14121 6.3253 9.9801 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.28637 4.14121 6.3253 13.5841 5.86181 9.9801 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.28637 13.5841 5.86181 11.667 5.80568 5.64041 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 9.28637 11.667 5.80568 13.5841 5.86181 5.64041 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 9.28637 4.14121 6.3253 11.667 5.80568 7.57412 numMergedOcc 0
7 mol 20 unq 1 iso 1 dist 9.28637 11.667 5.80568 4.14121 6.3253 7.57412 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 6.85457 7.57027 8.89417 13.1982 9.95255 9.11219 numMergedOcc 0
9 mol 93 unq 0 iso 1 dist 6.85457 13.1982 9.95255 7.57027 8.89417 9.11219 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 5.38064 10.5343 9.5057 5.88248 5.75014 5.59227 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 5.38064 5.88248 5.75014 10.5343 9.5057 5.59227 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.21272 5.30646 6.84835 14.1825 8.42748 9.63809 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 8.21272 14.1825 8.42748 5.30646 6.84835 9.63809 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 8.53734 13.6177 5.25109 16.0184 8.21618 3.98338 numMergedOcc 0
15 mol 171 unq 0 iso 1 dist 8.53734 16.0184 8.21618 13.6177 5.25109 3.98338 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 6.08141 9.13275 5.25109 11.3808 8.21618 3.98338 numMergedOcc 0
17 mol 171 unq 1 iso 1 dist 6.08141 11.3808 8.21618 9.13275 5.25109 3.98338 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.89987 5.16569 7.32087 14.8476 8.86197 9.87773 numMergedOcc 0
19 mol 181 unq 0 iso 1 dist 9.89987 14.8476 8.86197 5.16569 7.32087 9.87773 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.71614 9.80925 6.60053 13.4246 9.36796 4.20321 numMergedOcc 0
21 mol 192 unq 0 iso 1 dist 9.71614 13.4246 9.36796 9.80925 6.60053 4.20321 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 8.81185 5.47621 6.60053 8.27422 9.36796 4.20321 numMergedOcc 0
23 mol 192 unq 1 iso 1 dist 8.81185 8.27422 9.36796 5.47621 6.60053 4.20321 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.70651 14.8728 9.78181 4.03628 9.8664 16.4381 numMergedOcc 0
25 mol 232 unq 0 iso 1 dist 8.70651 4.03628 9.8664 14.8728 9.78181 16.4381 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 9.44925 11.4465 6.73712 5.31758 9.35704 10.2665 numMergedOcc 0
27 mol 280 unq 0 iso 1 dist 9.44925 5.31758 9.35704 11.4465 6.73712 10.2665 numMergedOcc 0
