0 mol 7 unq 0 iso 0 dist 6.36911 9.87885 7.92429 6.88805 8.81608 12.8006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 6.1206 7.92429 13.156 8.81608 12.8006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 7.67927 11.2233 13.156 8.81608 17.4215 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 6.08338 5.93898 4.28381 14.0241 9.35562 9.6925 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 6.08338 5.93898 4.28381 4.20001 8.63857 9.62989 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.68559 7.26268 5.57199 10.7345 7.11053 11.9642 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 7.45237 8.70192 10.5834 9.26784 8.94353 17.0626 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 7.45237 8.70192 10.5834 10.2083 7.30265 14.8778 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.624 9.74228 9.88768 5.72408 9.37102 13.1318 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 8.624 9.74228 9.88768 3.94376 5.4605 10.6668 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 8.624 9.74228 9.88768 6.19288 6.53824 10.9996 numMergedOcc 0
11 mol 72 unq 3 iso 0 dist 6.77912 7.12321 9.88768 10.0679 9.37102 13.1318 numMergedOcc 0
12 mol 72 unq 4 iso 0 dist 6.77912 7.12321 9.88768 5.69391 5.4605 10.6668 numMergedOcc 0
13 mol 72 unq 5 iso 0 dist 6.77912 7.12321 9.88768 4.03844 6.53824 10.9996 numMergedOcc 0
14 mol 72 unq 6 iso 0 dist 7.321 9.55118 6.74416 7.47371 9.14817 10.6668 numMergedOcc 0
15 mol 72 unq 7 iso 0 dist 7.321 9.55118 6.74416 9.67587 9.76686 12.6707 numMergedOcc 0
16 mol 72 unq 8 iso 0 dist 7.321 9.55118 6.74416 7.07356 9.437 13.7925 numMergedOcc 0
17 mol 72 unq 9 iso 0 dist 7.321 9.10345 5.63793 7.47371 9.14817 13.9797 numMergedOcc 0
18 mol 72 unq 10 iso 0 dist 7.321 9.10345 5.63793 9.67587 9.76686 14.9302 numMergedOcc 0
19 mol 72 unq 11 iso 0 dist 7.321 9.10345 5.63793 7.07356 9.437 13.1216 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 6.21982 6.72869 4.00608 5.31985 9.4866 9.59729 numMergedOcc 0
21 mol 76 unq 1 iso 0 dist 8.19682 9.85905 4.00608 15.4159 9.4866 9.59729 numMergedOcc 0
22 mol 86 unq 0 iso 0 dist 7.79359 7.90423 9.49725 5.9022 5.88159 12.1672 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 5.87358 7.07971 5.15674 6.35679 8.38791 12.0841 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 6.63111 8.0168 7.65564 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 7.64585 6.39384 5.65471 6.95773 7.65255 7.65564 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 6.62561 6.10127 6.95589 7.20875 9.94053 12.9113 numMergedOcc 0
27 mol 117 unq 1 iso 0 dist 7.63616 8.19331 5.56883 3.77029 9.94053 10.2505 numMergedOcc 0
28 mol 130 unq 0 iso 0 dist 7.66168 9.98797 4.02212 11.1455 8.9677 12.7744 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 11.5407 5.52149 9.54071 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 11.5407 5.52149 13.1518 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 13.8904 7.59939 17.1073 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 9.52936 5.96423 11.6883 13.8904 7.59939 18.0211 numMergedOcc 0
33 mol 195 unq 0 iso 0 dist 8.36117 9.03441 9.33403 6.04871 5.87439 11.3524 numMergedOcc 0
34 mol 195 unq 1 iso 0 dist 6.77578 9.03441 4.191 6.04871 8.18059 11.3524 numMergedOcc 0
35 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 4.72944 5.461 7.90657 numMergedOcc 0
36 mol 213 unq 1 iso 0 dist 6.0965 8.21793 4.31175 10.1881 8.65196 9.67366 numMergedOcc 0
37 mol 213 unq 2 iso 0 dist 9.59129 8.21793 4.89372 10.1881 5.461 9.67366 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 7.82944 9.35274 4.03073 10.9161 8.98681 13.0062 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 4.7456 5.93063 9.81207 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 9.62609 6.91318 11.5454 14.6485 9.8009 15.751 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 8.17891 5.23634 4.09934 4.1511 7.79951 6.09335 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 6.95902 6.91318 4.09934 4.69247 7.79951 6.09335 numMergedOcc 0
43 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 3.95629 8.27411 11.2575 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 15.9732 6.96257 15.8278 numMergedOcc 0
45 mol 234 unq 2 iso 0 dist 7.85175 7.81215 10.5304 3.95629 7.36208 11.2575 numMergedOcc 0
46 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 8.26028 7.02029 10.8515 numMergedOcc 0
47 mol 235 unq 1 iso 0 dist 6.98084 6.29377 7.34601 8.26028 7.02029 12.5813 numMergedOcc 0
48 mol 235 unq 2 iso 0 dist 7.32211 5.1823 4.47008 10.7187 7.02029 10.8515 numMergedOcc 0
49 mol 235 unq 3 iso 0 dist 7.32211 5.70635 7.34601 10.7187 7.02029 12.5813 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 6.55759 9.12776 15.4844 10.4966 9.38131 15.1027 numMergedOcc 0
51 mol 238 unq 1 iso 0 dist 7.02475 9.12776 13.037 10.4966 6.85253 15.1027 numMergedOcc 0
52 mol 238 unq 2 iso 0 dist 7.67322 9.12776 9.75095 5.71717 7.39547 4.66186 numMergedOcc 0
53 mol 238 unq 3 iso 0 dist 7.19008 9.12776 6.12722 11.0772 5.43613 9.51483 numMergedOcc 0
54 mol 238 unq 4 iso 0 dist 7.19008 9.12776 6.12722 5.71717 7.24334 4.66186 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 10.282 8.84648 16.6762 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 7.48005 9.63573 9.98303 10.067 6.23661 10.9441 numMergedOcc 0
57 mol 259 unq 2 iso 0 dist 7.48005 7.66153 14.0829 10.282 8.84648 17.7558 numMergedOcc 0
58 mol 259 unq 3 iso 0 dist 7.48005 7.66153 14.0829 10.067 6.23661 16.4118 numMergedOcc 0
