0 mol 11 unq 0 iso 0 dist 9.42607 13.2938 9.07476 6.49709 5.8961 6.84216 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.20956 4.4067 6.09937 6.49709 4.73237 8.68293 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 6.45965 4.86477 6.09533 5.32149 6.47139 9.1397 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 8.67226 9.00405 7.17695 12.5983 6.21227 6.09002 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.07029 7.18898 7.89667 12.8678 5.3315 8.31381 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.00045 16.7918 8.03895 10.6426 4.4651 7.91148 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.00045 14.0325 5.68873 10.6426 4.4651 6.59794 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 7.92498 7.50896 7.08403 12.6882 14.0364 7.02367 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.14274 5.18887 6.01857 11.7083 11.1675 7.42146 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.3907 12.1473 6.80798 8.47907 4.42285 4.42563 numMergedOcc 0
10 mol 122 unq 1 iso 0 dist 9.14875 7.85654 6.80798 10.5967 4.42285 4.42563 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.74947 6.34139 6.41183 11.4846 5.91683 9.3273 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 9.71025 5.71332 8.26128 6.44195 5.88662 8.89394 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 9.04436 10.9436 9.37245 7.75045 4.12904 8.16252 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.08229 5.60897 6.10021 6.53913 5.48405 5.36671 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 9.19569 12.9917 9.58901 6.28961 4.34424 9.37946 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 6.01542 7.69413 8.24013 12.8445 10.9928 5.72327 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 6.01542 7.69413 8.24013 11.9617 10.8591 5.81301 numMergedOcc 0
18 mol 277 unq 2 iso 0 dist 6.01542 7.69413 8.24013 15.6155 12.5803 9.81201 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 9.33149 13.8352 5.28731 9.82717 4.16039 5.03601 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 5.77107 5.32175 5.28731 6.44657 4.16039 5.03601 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.38338 7.70421 9.1471 10.2092 5.25853 9.18744 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 6.38338 9.73619 7.84189 10.3643 7.19628 5.30118 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 6.38338 9.73619 7.84189 14.8282 11.7959 8.98698 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 6.38338 7.70421 9.1471 10.2092 5.25853 9.18744 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 6.38338 9.73619 7.84189 10.3643 7.19628 5.30118 numMergedOcc 0
26 mol 288 unq 2 iso 0 dist 6.38338 9.73619 7.84189 14.8282 11.7959 8.98698 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 6.38338 7.70421 9.1471 10.2092 5.25853 9.18744 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 6.38338 9.73619 7.84189 10.3643 7.19628 5.30118 numMergedOcc 0
29 mol 289 unq 2 iso 0 dist 6.38338 9.73619 7.84189 14.8282 11.7959 8.98698 numMergedOcc 0
