0 mol 34 unq 0 iso 0 dist 9.13116 8.77484 7.32707 11.7849 8.80175 3.85603 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.13116 9.00089 9.25346 11.7849 8.80175 4.42374 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.70029 6.37567 6.24515 14.9137 9.02925 8.56189 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.70029 5.92759 6.47855 14.9137 9.02925 11.3851 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.91743 7.19373 9.48031 7.07118 9.76979 7.29013 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 5.75355 5.14632 9.48031 9.43746 9.76979 7.29013 numMergedOcc 0
6 mol 39 unq 4 iso 0 dist 7.78346 5.90834 9.48031 10.3308 9.76979 7.29013 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.98874 13.452 7.34031 7.26691 6.28603 7.13338 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.98874 13.452 7.34031 6.03108 8.80303 8.64653 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 9.98874 13.452 7.34031 12.9989 7.11491 4.28224 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.20373 12.6895 6.30987 13.0814 5.27979 10.2702 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 5.67362 7.64232 7.46994 6.94617 9.83914 10.3452 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.05937 11.0594 7.26955 10.6622 6.21165 3.71283 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.43112 10.8174 6.21403 5.55879 5.13405 5.45 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.09693 6.51469 6.21403 3.40022 5.13405 5.45 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.38183 11.2477 7.31037 14.7238 8.40695 8.16657 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.38183 11.2477 7.31037 16.6977 9.35867 11.0792 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.30857 5.09374 7.60254 10.3305 6.12453 7.8982 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.30857 5.09374 7.60254 10.6619 9.87447 6.7031 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.70008 8.70736 9.19117 7.30777 4.51777 6.54263 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 6.70008 5.46731 6.26365 7.30777 4.51777 3.63393 numMergedOcc 0
21 mol 175 unq 2 iso 0 dist 9.92784 5.46731 7.04177 7.30777 4.9606 3.63393 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.99409 10.168 5.95304 8.21964 9.20617 10.4087 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 9.31961 6.25507 9.18903 11.4428 8.08629 8.80744 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.88238 7.4578 6.43034 3.60894 6.23115 6.50127 numMergedOcc 0
