0 mol 6 unq 0 iso 0 dist 7.76205 5.16051 8.15992 13.4333 9.07564 14.4522 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 7.76205 11.3767 4.82562 13.4333 9.07564 7.33688 numMergedOcc 0
2 mol 6 unq 2 iso 0 dist 7.76205 7.55017 8.85796 13.4333 9.07564 13.7747 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 8.85083 12.6167 8.70331 14.2574 8.78511 4.87576 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 9.6595 10.9459 7.89306 9.14656 4.64187 6.23577 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.6367 5.64505 6.81735 7.72003 9.41463 5.17091 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 9.63946 7.12151 6.81735 11.2137 9.41463 5.17091 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 5.38363 11.6291 7.17133 5.29207 9.08745 15.9536 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.98764 7.13718 4.8983 5.42116 4.27766 5.75925 numMergedOcc 0
9 mol 107 unq 0 iso 0 dist 7.09988 4.25808 7.2168 7.15039 5.31375 9.89064 numMergedOcc 0
10 mol 107 unq 1 iso 0 dist 7.09988 4.25808 7.2168 12.4206 6.49371 13.076 numMergedOcc 0
11 mol 107 unq 2 iso 0 dist 7.73898 9.37941 7.2168 4.80846 5.31375 9.89064 numMergedOcc 0
12 mol 107 unq 3 iso 0 dist 7.73898 9.37941 7.2168 9.55354 6.49371 13.076 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 8.83567 13.6213 9.64908 10.864 5.92828 6.13615 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 8.83567 13.6213 9.64908 9.95307 9.1247 4.49971 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 6.79584 14.3632 9.64908 9.50897 5.92828 6.13615 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 6.79584 14.3632 9.64908 11.9673 9.1247 4.49971 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 7.37255 6.31999 9.27714 6.72578 6.77583 11.3047 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.32969 16.319 7.56217 13.385 4.45769 5.39223 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 9.32969 16.319 7.56217 17.9971 8.99961 7.15294 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 8.47283 8.66568 9.26192 5.10199 7.98864 9.9686 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 7.93054 8.78538 9.53899 5.055 7.66702 10.0389 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 8.80049 9.29917 9.84028 5.08612 5.6417 8.2786 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 8.80049 9.29917 9.84028 5.81569 7.42831 5.20737 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.33881 6.39739 6.90472 9.31424 9.73217 4.35925 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.33881 6.39739 6.90472 10.8164 7.49606 13.8859 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 5.33881 6.39739 6.90472 8.53278 8.06377 13.5662 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.70774 10.1327 4.1545 5.62605 5.13533 6.65084 numMergedOcc 0
