0 mol 55 unq 0 iso 0 dist 5.12277 9.3341 6.96815 10.1436 8.24934 9.89804 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 8.59587 8.9161 12.5052 6.17 13.8354 8.54555 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 8.59587 7.31505 10.083 6.17 13.8354 7.0386 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.42914 7.42828 5.75219 10.1359 8.01351 6.93893 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 8.17327 5.98441 5.75219 11.3866 8.01351 6.93893 numMergedOcc 0
5 mol 91 unq 2 iso 0 dist 9.52936 5.45873 5.75219 9.36488 8.01351 6.93893 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.00874 7.24843 6.87756 10.4382 13.1731 7.13064 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 9.00874 7.63783 5.82092 10.4382 13.1731 7.8962 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.45085 8.82036 7.77088 9.91621 12.4674 9.13614 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.1717 7.57714 4.46354 8.04699 5.68406 8.46376 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.8319 7.57714 6.74216 8.04699 9.46329 8.46376 numMergedOcc 0
11 mol 247 unq 0 iso 0 dist 6.52457 8.46644 4.46 10.2114 6.23164 6.29945 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 8.80432 9.41595 9.13835 5.3246 11.8129 7.60896 numMergedOcc 0
13 mol 256 unq 0 iso 0 dist 8.83662 8.73597 10.3221 10.8411 16.6899 7.54955 numMergedOcc 0
14 mol 256 unq 1 iso 0 dist 8.83662 8.73597 10.3221 17.3254 18.9517 9.65136 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 7.81282 9.62872 6.60208 11.0702 10.7109 8.30195 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 6.08019 9.62872 4.19643 11.0702 9.79758 8.30195 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 9.69573 9.33975 13.1787 13.3704 11.6585 7.42529 numMergedOcc 0
18 mol 280 unq 1 iso 0 dist 9.69573 9.33975 13.1787 16.3083 21.4157 9.38952 numMergedOcc 0
19 mol 280 unq 2 iso 0 dist 6.42515 9.33975 6.58462 13.3704 7.61357 7.42529 numMergedOcc 0
20 mol 280 unq 3 iso 0 dist 6.42515 9.33975 6.58462 16.3083 15.1791 9.38952 numMergedOcc 0
21 mol 280 unq 4 iso 0 dist 9.8581 7.18775 6.58462 14.1092 7.61357 7.42529 numMergedOcc 0
22 mol 280 unq 5 iso 0 dist 9.8581 7.18775 6.58462 11.5286 15.1791 9.38952 numMergedOcc 0
