0 mol 34 unq 0 iso 0 dist 6.8228 12.1875 8.28811 11.5345 5.08831 9.33027 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.8228 12.1875 8.28811 10.0221 6.54316 7.32707 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 6.8228 12.1875 8.28811 15.5864 11.3171 7.90574 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 6.8228 10.8966 6.29253 11.5345 5.08831 8.2946 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 6.8228 10.8966 6.29253 10.0221 6.54316 9.25346 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.49518 4.94442 8.57393 11.6742 7.26324 9.0008 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.58771 4.94442 6.04885 11.6742 10.2724 9.0008 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.5359 6.59429 5.42653 15.5152 9.48551 9.56752 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.90905 5.84535 6.53104 9.39356 5.98956 7.52142 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 9.10374 6.21982 8.48719 8.73563 4.96984 6.50043 numMergedOcc 0
10 mol 146 unq 1 iso 0 dist 9.10374 6.21982 8.48719 7.92203 7.70916 9.44952 numMergedOcc 0
11 mol 146 unq 2 iso 0 dist 8.21621 5.91626 8.48719 9.64915 4.96984 6.50043 numMergedOcc 0
12 mol 146 unq 3 iso 0 dist 8.21621 5.91626 8.48719 11.7079 7.70916 9.44952 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 7.33878 5.57892 4.7785 13.1438 6.57631 8.73468 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 7.33878 5.57892 4.7785 14.8131 8.40891 9.73927 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 7.48646 5.63277 4.79493 13.2533 6.56068 8.73558 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 7.48646 5.63277 4.79493 14.8227 8.32178 9.66129 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 7.03206 11.5452 9.89595 13.5457 11.7605 5.81122 numMergedOcc 0
18 mol 157 unq 0 iso 0 dist 8.93658 8.85542 8.90403 14.2637 11.3969 6.455 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 8.99521 8.44379 5.61473 14.8822 9.50998 8.1931 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.09318 9.20205 9.03093 14.2049 15.0148 7.02079 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 6.09318 9.20205 9.03093 9.94034 5.93253 5.88802 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 6.43566 9.94758 7.54244 16.5812 12.9347 7.48269 numMergedOcc 0
23 mol 256 unq 1 iso 0 dist 6.43566 9.94758 7.54244 12.8878 8.03672 6.71249 numMergedOcc 0
24 mol 256 unq 2 iso 0 dist 6.43566 9.94758 7.54244 12.0847 5.9572 9.18903 numMergedOcc 0
25 mol 256 unq 3 iso 0 dist 8.66626 11.4498 7.54244 18.7906 12.9347 7.48269 numMergedOcc 0
26 mol 256 unq 4 iso 0 dist 8.66626 11.4498 7.54244 15.6977 8.03672 6.71249 numMergedOcc 0
27 mol 256 unq 5 iso 0 dist 8.66626 11.4498 7.54244 11.7652 5.9572 9.18903 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 9.03526 5.38386 7.05438 10.2078 10.7441 7.48235 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 8.03252 5.38386 7.08899 10.2078 3.5882 7.48235 numMergedOcc 0
