0 mol 4 unq 0 iso 0 dist 9.12428 11.2197 7.06429 5.12621 8.24634 7.14866 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.12428 11.2197 7.06429 14.8379 9.16617 5.50517 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 9.12428 11.2197 7.06429 15.2242 8.87255 4.73956 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 5.24341 5.99923 7.39855 10.2986 9.47063 6.96992 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.67661 5.24208 7.39855 11.7959 9.47063 6.96992 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 6.41045 4.77352 6.10339 10.4834 8.40416 8.6996 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 5.52992 5.34698 5.9844 4.61383 8.83487 6.12335 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.27389 8.96033 7.09757 6.29197 7.26024 3.72006 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 9.27389 8.96033 7.09757 6.71259 6.36086 5.2359 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.67557 11.0833 8.81824 13.5302 7.54568 13.2941 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.44723 13.1737 9.65888 4.61044 6.29233 10.3153 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 7.44723 13.1737 9.65888 6.44454 5.42406 6.73369 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.9053 4.43662 6.64326 4.19752 8.647 6.03833 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 8.02366 12.1591 6.32146 6.49767 7.33273 13.3098 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 9.06702 7.42371 9.07173 7.42577 6.73956 9.39191 numMergedOcc 0
15 mol 182 unq 1 iso 0 dist 9.06702 7.42371 9.07173 4.49268 7.09394 3.6277 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.52924 13.6456 7.23959 5.63231 6.03688 9.6084 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 8.11407 10.6811 9.73419 11.6019 6.16414 7.87274 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 8.11407 10.6811 9.73419 9.98867 7.33701 12.04 numMergedOcc 0
19 mol 206 unq 2 iso 0 dist 8.11407 10.6811 9.73419 9.88398 8.0871 15.182 numMergedOcc 0
20 mol 206 unq 3 iso 0 dist 8.11407 16.1363 9.99824 11.6019 6.16414 6.55611 numMergedOcc 0
21 mol 206 unq 4 iso 0 dist 8.11407 16.1363 9.99824 9.98867 7.33701 7.22859 numMergedOcc 0
22 mol 206 unq 5 iso 0 dist 8.11407 16.1363 9.99824 9.88398 8.0871 9.80396 numMergedOcc 0
23 mol 206 unq 6 iso 0 dist 8.95375 10.6811 6.11803 11.6019 7.75885 7.87274 numMergedOcc 0
24 mol 206 unq 7 iso 0 dist 9.29007 5.24963 6.11803 6.64436 7.75885 7.87274 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 7.69358 12.3956 5.8473 10.4922 7.6595 5.58975 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 7.69358 8.97107 6.78929 10.4922 7.6595 10.4681 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 6.84604 4.72877 5.77089 10.7698 6.62841 7.27472 numMergedOcc 0
