0 mol 59 unq 0 iso 0 dist 9.59244 4.07863 6.23899 5.81747 10.6918 8.17564 7.69638 11.1914 9.43355 5.87788 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 9.59244 4.07863 6.23899 5.81747 10.6918 8.17564 11.9788 6.435 7.9327 15.4376 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 9.59244 4.07863 6.23899 6.81975 7.5168 7.19213 7.69638 11.1914 9.43355 5.46359 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 9.59244 4.07863 6.23899 6.81975 7.5168 7.19213 11.9788 6.435 7.9327 13.0982 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 9.59244 4.07863 6.23899 10.0694 9.2891 6.94351 7.69638 11.1914 9.43355 16.3671 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 9.59244 4.07863 6.23899 10.0694 9.2891 6.94351 11.9788 6.435 7.9327 5.83238 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 16.5061 9.43289 9.30724 15.4206 9.60325 9.56752 11.109 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 5.9179 4.97513 8.39016 11.2844 9.43289 9.30724 11.4116 9.60325 9.56752 11.109 numMergedOcc 0
8 mol 90 unq 2 iso 0 dist 9.34782 4.97513 6.99355 11.2844 3.97343 9.30724 11.4116 7.25602 9.56752 11.109 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.3476 7.38295 8.95838 8.4733 5.92984 7.26955 12.2067 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 11.8884 9.58951 9.47892 8.4733 5.92984 7.26955 4.09788 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 6.7973 9.64056 9.86313 16.1588 14.7279 7.62575 15.842 11.0769 9.80845 8.61147 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 6.7973 9.64056 9.86313 16.1588 14.7279 7.62575 13.2147 10.4923 7.55196 5.45915 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.84952 10.9006 7.37327 15.972 6.20895 9.70025 13.401 5.63555 8.9289 6.02828 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 13.7548 12.6449 7.79085 9.41148 6.2188 7.10413 9.77057 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.70279 6.17401 7.07392 12.5589 10.0878 6.48753 9.41148 6.2188 7.10413 9.30551 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 7.70279 6.17401 7.07392 12.4712 8.32185 7.83802 9.41148 6.2188 7.10413 10.6834 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 8.48065 5.52698 8.21247 8.92054 6.84447 8.19915 10.8785 7.60081 7.95766 3.93066 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.32451 4.81145 6.05141 10.0444 6.76977 6.24435 11.9862 10.7081 8.09718 5.18265 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.32451 4.81145 6.05141 10.0444 6.76977 6.24435 11.4318 5.50308 6.73446 4.30687 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 13.3981 12.7699 9.53092 8.90398 8.75685 8.71497 11.7116 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.43858 12.5468 9.0012 18.4172 11.2529 8.44015 13.7665 7.52936 5.91213 5.29885 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 8.43858 15.8008 9.5784 18.4172 11.2529 6.21206 13.7665 7.52936 7.34094 5.29885 numMergedOcc 0
