0 mol 60 unq 0 iso 0 dist 9.34193 6.02523 6.65867 13.1258 8.97364 9.66932 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 8.0955 11.1551 9.52206 5.15472 8.89417 7.00155 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 8.0955 11.1551 9.52206 9.30737 9.95255 9.45154 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 8.0955 14.1527 8.69945 5.15472 8.89417 14.3423 numMergedOcc 0
4 mol 93 unq 3 iso 0 dist 8.0955 14.1527 8.69945 9.30737 9.95255 8.76259 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 4.94406 6.62867 7.67564 11.3708 7.14031 12.9271 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 4.94406 11.2334 8.60103 11.3708 7.14031 12.2431 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.2337 12.7928 7.67564 7.43547 7.14031 12.9271 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.2337 7.89992 8.60103 7.43547 7.14031 12.2431 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 7.78223 12.2493 8.55826 9.76297 8.42878 5.78064 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 9.2657 15.509 8.74577 12.5885 6.33431 6.58625 numMergedOcc 0
11 mol 125 unq 1 iso 0 dist 9.2657 18.0039 9.7728 12.5885 6.33431 6.67445 numMergedOcc 0
12 mol 125 unq 2 iso 0 dist 9.2657 4.77979 6.75122 12.5885 6.33431 8.12341 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.86237 7.12885 6.52844 4.68204 9.73158 7.72162 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.86237 7.12885 6.52844 9.09658 7.59327 7.95267 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.35385 13.3661 8.81111 7.20376 6.75376 11.3783 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 8.35864 13.3661 5.66405 7.20376 9.10042 11.3783 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 8.35864 13.3661 5.66405 10.1764 9.75059 11.1002 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 8.35864 13.3661 5.66405 14.3045 6.83404 5.63251 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.32227 4.68339 5.13522 5.46268 5.9976 5.6621 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.32227 4.68339 5.13522 4.78734 6.86566 6.65278 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 9.25835 5.5542 5.99212 8.75377 9.7361 6.27876 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.53805 16.0835 6.58212 8.03698 6.21159 10.8189 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.99783 5.21255 5.62421 12.9926 9.36796 9.72372 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.32649 12.5811 5.75839 7.31769 9.73541 9.70769 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 4.68783 8.77577 9.58168 4.30062 5.9627 9.38829 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 7.49913 14.4383 9.68583 11.806 8.984 4.15342 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.85331 15.3115 9.34312 4.76167 7.00243 14.8724 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.85331 6.87665 7.53905 4.76167 7.00243 5.01805 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 5.92532 5.95045 9.35976 5.10104 8.20644 10.7039 numMergedOcc 0
