0 mol 59 unq 0 iso 0 dist 8.17564 10.6918 6.23899 5.87788 9.43355 11.1914 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.17564 10.6918 6.23899 15.4376 7.9327 6.435 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 7.19213 7.5168 6.23899 5.46359 9.43355 11.1914 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 7.19213 7.5168 6.23899 13.0982 7.9327 6.435 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 6.94351 9.2891 6.23899 16.3671 9.43355 11.1914 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 6.94351 9.2891 6.23899 5.83238 7.9327 6.435 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.07582 10.6118 7.87814 4.91535 5.9249 6.54837 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 9.30724 9.43289 8.39016 11.109 9.56752 9.60325 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 9.30724 3.97343 6.99355 11.109 9.56752 7.25602 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 11.6798 7.1539 8.55834 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.57958 4.71849 5.81965 12.656 5.39745 9.50382 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 7.57958 4.32564 7.06013 11.6798 7.1539 8.51055 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 7.57958 4.32564 7.06013 12.656 5.39745 11.3858 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 7.57958 13.6329 9.70512 11.6798 7.1539 7.76866 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 7.57958 13.6329 9.70512 12.656 5.39745 7.56363 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.90328 10.071 9.39469 12.9454 7.09065 9.36726 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.90328 5.89399 4.76815 12.9454 7.09065 7.16919 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 5.44714 5.19652 6.81812 9.69428 7.33541 9.76608 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 5.21101 9.83981 13.7032 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 4.08294 7.52142 6.40494 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 12.2067 7.26955 5.92984 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 8.95838 5.85391 9.63176 12.2067 7.26955 15.5019 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.95838 11.0075 7.44174 12.2067 7.26955 10.314 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 9.47892 9.58951 7.39889 4.09788 7.26955 5.92984 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 9.47892 18.2257 9.63176 4.09788 7.26955 15.5019 numMergedOcc 0
25 mol 119 unq 5 iso 0 dist 9.47892 9.93013 7.44174 4.09788 7.26955 10.314 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 14.3207 6.46089 10.0059 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 14.3207 6.46089 8.57817 numMergedOcc 0
28 mol 143 unq 2 iso 0 dist 9.9492 9.79072 7.31468 6.3462 6.46089 10.0059 numMergedOcc 0
29 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 6.3462 6.46089 8.57817 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 7.62575 14.7279 9.86313 8.61147 9.80845 11.0769 numMergedOcc 0
31 mol 155 unq 1 iso 0 dist 7.62575 14.7279 9.86313 5.45915 7.55196 10.4923 numMergedOcc 0
32 mol 155 unq 2 iso 0 dist 7.62575 10.4606 7.51198 8.61147 9.80845 5.50031 numMergedOcc 0
33 mol 155 unq 3 iso 0 dist 7.62575 10.4606 7.51198 5.45915 7.55196 6.89781 numMergedOcc 0
34 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 7.6477 8.41245 6.14414 numMergedOcc 0
35 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 5.04427 6.64779 4.72839 numMergedOcc 0
36 mol 173 unq 2 iso 0 dist 9.56248 10.8336 6.98095 7.6477 8.41245 5.27321 numMergedOcc 0
37 mol 173 unq 3 iso 0 dist 9.56248 10.8336 6.98095 5.04427 6.64779 8.07089 numMergedOcc 0
38 mol 173 unq 4 iso 0 dist 9.56248 10.6484 8.31897 7.6477 8.41245 10.8609 numMergedOcc 0
39 mol 173 unq 5 iso 0 dist 9.56248 10.6484 8.31897 5.04427 6.64779 5.70743 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 12.0718 9.06217 6.6251 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 9.15368 9.09989 6.94688 13.7282 9.06217 6.6251 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 9.20477 4.98009 6.94688 10.6331 9.06217 6.6251 numMergedOcc 0
43 mol 181 unq 3 iso 0 dist 5.41368 9.47799 6.71012 12.0718 7.13252 6.6251 numMergedOcc 0
44 mol 181 unq 4 iso 0 dist 7.96182 9.09989 6.71012 13.7282 7.13252 6.6251 numMergedOcc 0
45 mol 181 unq 5 iso 0 dist 7.90237 4.98009 6.71012 10.6331 7.13252 6.6251 numMergedOcc 0
46 mol 181 unq 6 iso 0 dist 9.70025 6.20895 7.37327 6.02828 8.9289 5.63555 numMergedOcc 0
47 mol 181 unq 7 iso 0 dist 6.17129 4.3158 4.93785 6.78739 7.05653 7.77758 numMergedOcc 0
48 mol 181 unq 8 iso 0 dist 5.83596 4.3226 4.93785 11.3693 7.05653 7.77758 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 6.289 7.72655 5.48258 10.7677 8.52969 7.11753 numMergedOcc 0
50 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 9.77057 7.10413 6.2188 numMergedOcc 0
51 mol 232 unq 1 iso 0 dist 7.79085 12.0243 9.62952 9.77057 7.10413 6.09015 numMergedOcc 0
52 mol 232 unq 2 iso 0 dist 6.48753 10.0878 7.07392 9.30551 7.10413 6.2188 numMergedOcc 0
53 mol 232 unq 3 iso 0 dist 6.48753 9.58249 9.62952 9.30551 7.10413 6.09015 numMergedOcc 0
54 mol 232 unq 4 iso 0 dist 7.83802 8.32185 7.07392 10.6834 7.10413 6.2188 numMergedOcc 0
55 mol 232 unq 5 iso 0 dist 7.83802 8.24395 9.62952 10.6834 7.10413 6.09015 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 9.74324 13.6747 5.65339 10.1825 6.54825 7.77516 numMergedOcc 0
57 mol 235 unq 1 iso 0 dist 8.19915 6.84447 8.21247 3.93066 7.95766 7.60081 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 8.52504 10.5784 8.71415 5.62227 7.15195 5.99272 numMergedOcc 0
59 mol 238 unq 1 iso 0 dist 6.24435 6.76977 6.05141 5.18265 8.09718 10.7081 numMergedOcc 0
60 mol 238 unq 2 iso 0 dist 6.24435 6.76977 6.05141 4.30687 6.73446 5.50308 numMergedOcc 0
61 mol 238 unq 3 iso 0 dist 6.24435 10.4548 8.09066 5.18265 8.09718 12.2874 numMergedOcc 0
62 mol 238 unq 4 iso 0 dist 6.24435 10.4548 8.09066 4.30687 6.73446 7.11984 numMergedOcc 0
63 mol 238 unq 5 iso 0 dist 6.24435 10.7712 7.2766 5.18265 8.09718 10.4017 numMergedOcc 0
64 mol 238 unq 6 iso 0 dist 6.24435 10.7712 7.2766 4.30687 6.73446 7.95232 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 11.7116 8.71497 8.81835 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 9.53092 12.7699 8.37865 11.7116 8.71497 8.75685 numMergedOcc 0
67 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 5.29885 5.91213 7.52936 numMergedOcc 0
68 mol 264 unq 1 iso 0 dist 6.21206 11.2529 9.5784 5.29885 7.34094 7.52936 numMergedOcc 0
69 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 9.11162 6.8972 7.80785 numMergedOcc 0
70 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 9.11162 6.8972 6.6348 numMergedOcc 0
71 mol 282 unq 2 iso 0 dist 9.20119 6.32603 8.3411 9.11162 6.8972 6.3458 numMergedOcc 0
72 mol 282 unq 3 iso 0 dist 8.96997 4.64783 6.85028 10.842 6.8972 7.80785 numMergedOcc 0
73 mol 282 unq 4 iso 0 dist 8.96997 10.0286 7.32347 10.842 6.8972 6.6348 numMergedOcc 0
74 mol 282 unq 5 iso 0 dist 8.96997 7.65702 8.3411 10.842 6.8972 6.3458 numMergedOcc 0
75 mol 294 unq 0 iso 0 dist 7.12793 11.2287 7.34205 4.57255 8.87606 10.808 numMergedOcc 0
76 mol 294 unq 1 iso 0 dist 6.21208 6.45145 7.34205 4.44552 8.87606 10.808 numMergedOcc 0
