0 mol 0 unq 0 iso 0 dist 8.82652 4.18909 5.88757 7.55723 5.56852 6.80636 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.82652 12.7194 8.66548 19.2787 12.9149 9.23213 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.96415 5.13744 8.81608 6.22892 6.88805 6.36911 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.96415 5.13744 8.81608 14.5008 13.156 9.36807 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.88243 12.0778 7.03126 16.384 9.53718 9.33535 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.88243 12.0778 7.03126 11.2558 5.61579 8.26899 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.12959 12.0704 9.4866 11.272 5.31985 6.21982 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.12959 12.0704 9.4866 19.5833 15.4159 8.19682 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.11547 5.26193 9.84457 12.5472 10.2496 8.67367 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.20195 5.43722 5.52149 13.6135 11.5407 8.94837 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.20195 5.43722 5.52149 9.56984 5.91192 7.77454 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 9.70788 4.85796 7.05845 10.0841 7.63293 7.31468 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 9.70788 4.85796 7.05845 8.90592 11.903 7.7056 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 5.55218 5.49358 7.29911 9.91732 4.91785 9.38946 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 5.55218 7.00069 5.36254 8.66709 7.10286 7.39644 numMergedOcc 0
15 mol 155 unq 2 iso 0 dist 5.55218 7.00069 5.36254 9.91732 4.91785 7.36102 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 6.95244 8.94838 8.62366 12.7969 12.4131 7.93331 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 6.95244 8.94838 8.62366 14.545 12.5815 6.98095 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 6.95244 8.94838 8.62366 9.61566 8.63452 8.31897 numMergedOcc 0
19 mol 173 unq 3 iso 0 dist 6.11224 8.94838 6.52508 12.7969 6.91529 7.93331 numMergedOcc 0
20 mol 173 unq 4 iso 0 dist 6.11224 8.94838 6.52508 14.545 9.44845 6.98095 numMergedOcc 0
21 mol 173 unq 5 iso 0 dist 6.11224 8.94838 6.52508 9.61566 3.74688 8.31897 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.39573 11.4382 6.76746 13.3844 5.71898 4.93785 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 5.61604 6.7915 5.73635 9.59965 4.88992 6.73313 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.57781 11.3098 5.73591 13.3678 5.13732 8.19953 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 5.36326 9.20195 5.73591 7.04127 5.13732 8.19953 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 8.68934 8.2025 8.27411 12.332 3.95629 9.5707 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 8.68934 10.6553 7.36208 12.0854 5.53885 6.25105 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 8.68934 10.6553 7.36208 12.332 3.95629 7.85175 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 8.31815 5.32456 9.38131 10.639 13.378 5.38637 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 8.31815 5.32456 9.38131 10.7268 10.4966 6.55759 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 8.31815 6.26991 6.85253 12.7043 5.79187 8.96531 numMergedOcc 0
32 mol 238 unq 3 iso 0 dist 8.31815 6.26991 6.85253 10.7268 10.4966 7.02475 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 8.40328 10.0667 6.23661 13.6279 10.067 7.48005 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 8.40328 10.0667 6.23661 14.9752 7.09907 8.37865 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 5.38409 10.6582 8.84523 8.82094 5.12237 7.67853 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 8.45524 5.96784 8.84523 9.80332 5.12237 7.67853 numMergedOcc 0
37 mol 272 unq 2 iso 0 dist 9.66055 5.96784 6.95241 9.80332 5.41667 7.67853 numMergedOcc 0
