0 mol 7 unq 0 iso 0 dist 7.10621 6.1206 7.12508 7.67927 11.143 4.80709 5.44992 5.72491 8.15894 11.7902 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 7.67927 11.143 6.1206 7.12508 4.80709 5.44992 5.72491 11.7902 8.15894 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 3.98483 9.78006 9.64824 7.05919 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 3.98483 9.78006 7.05919 9.64824 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 5.97304 6.60423 10.8583 14.2818 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 5.97304 6.60423 14.2818 10.8583 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 13.4985 7.26086 8.75597 13.4099 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 6.48948 7.02507 7.03983 5.92242 3.9764 9.6331 13.4985 7.26086 13.4099 8.75597 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.10456 7.54889 10.4782 5.2571 3.9764 6.70343 6.934 7.26086 12.2279 8.75597 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 6.934 7.26086 8.75597 12.2279 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 8.0427 7.57713 6.38762 8.56707 6.43433 4.99604 10.2181 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 7.71338 8.0427 7.57713 8.47988 6.95317 6.38762 8.56707 6.43433 10.2181 4.99604 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.88312 7.69765 11.835 9.42082 6.07067 11.044 7.21418 5.74857 14.0614 10.3973 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 7.21418 5.74857 10.3973 14.0614 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.86662 9.1998 12.8086 8.69531 7.41373 5.83782 5.12325 8.20836 6.99345 5.11043 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 5.12325 8.20836 5.11043 6.99345 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 5.59424 9.78634 9.53265 5.64942 6.35474 5.9655 7.0057 7.24199 15.493 11.7494 numMergedOcc 0
17 mol 192 unq 0 iso 1 dist 5.59424 5.64942 6.35474 9.78634 9.53265 5.9655 7.0057 7.24199 11.7494 15.493 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 5.59424 9.78634 9.53265 7.43054 5.25965 7.70298 7.0057 7.24199 15.493 11.7133 numMergedOcc 0
19 mol 192 unq 1 iso 1 dist 5.59424 7.43054 5.25965 9.78634 9.53265 7.70298 7.0057 7.24199 11.7133 15.493 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 5.59424 5.64942 6.35474 7.43054 5.25965 3.60331 7.0057 7.24199 11.7494 11.7133 numMergedOcc 0
21 mol 192 unq 1 iso 1 dist 5.59424 7.43054 5.25965 5.64942 6.35474 3.60331 7.0057 7.24199 11.7133 11.7494 numMergedOcc 0
22 mol 192 unq 2 iso 0 dist 7.00794 6.97962 6.35474 6.79229 5.25965 3.60331 8.51255 7.24199 11.7494 11.7133 numMergedOcc 0
23 mol 192 unq 2 iso 1 dist 7.00794 6.79229 5.25965 6.97962 6.35474 3.60331 8.51255 7.24199 11.7133 11.7494 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 6.00706 6.74196 8.84507 8.36842 6.02502 8.10209 6.42798 7.862 7.97027 4.9876 numMergedOcc 0
25 mol 222 unq 0 iso 1 dist 6.00706 8.36842 6.02502 6.74196 8.84507 8.10209 6.42798 7.862 4.9876 7.97027 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 6.00706 6.74196 8.84507 9.75472 5.18677 9.49218 6.42798 7.862 7.97027 8.23353 numMergedOcc 0
27 mol 222 unq 1 iso 1 dist 6.00706 9.75472 5.18677 6.74196 8.84507 9.49218 6.42798 7.862 8.23353 7.97027 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 6.00706 8.36842 6.02502 9.75472 5.18677 3.53707 6.42798 7.862 4.9876 8.23353 numMergedOcc 0
29 mol 222 unq 1 iso 1 dist 6.00706 9.75472 5.18677 8.36842 6.02502 3.53707 6.42798 7.862 8.23353 4.9876 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.46176 9.63573 5.21606 7.66153 11.8896 10.3051 5.60748 8.55558 12.8954 13.1388 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 7.46176 7.66153 11.8896 9.63573 5.21606 10.3051 5.60748 8.55558 13.1388 12.8954 numMergedOcc 0
