0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 13.9585 12.2471 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 13.9585 10.2729 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.83056 8.88982 6.09254 13.9585 7.21217 7.10621 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.49518 6.60918 6.25083 5.05215 9.04385 4.86568 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.67926 8.13365 10.0637 10.5449 16.4411 6.86014 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.98333 8.19077 9.58231 6.12182 12.6659 7.50293 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.78459 9.17862 8.88286 15.821 15.7605 7.27724 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 5.38954 9.60425 6.29427 5.17524 7.70533 9.84395 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.78409 8.09965 9.75166 8.45411 12.4824 8.14887 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 9.78409 8.09965 9.75166 11.3174 8.40046 9.30299 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.7267 7.00798 6.37892 5.57978 11.8905 8.54584 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 7.7267 7.00798 6.37892 6.05033 12.5449 8.53613 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 9.79676 7.94863 11.8666 7.58865 16.086 9.28393 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.18505 8.94909 6.73114 8.76089 12.7635 7.11802 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.18505 8.94909 6.73114 6.80087 10.4418 8.00618 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.59193 9.37459 13.2016 8.41711 16.056 5.87555 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.59193 9.37459 13.2016 4.82496 13.9355 8.87437 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 9.59193 9.0847 14.0443 14.8573 22.0387 8.56324 numMergedOcc 0
18 mol 152 unq 3 iso 0 dist 9.59193 9.0847 14.0443 8.41711 16.056 6.70283 numMergedOcc 0
19 mol 152 unq 4 iso 0 dist 9.59193 9.0847 14.0443 4.82496 13.9355 7.16148 numMergedOcc 0
20 mol 152 unq 5 iso 0 dist 9.59193 6.00061 7.99896 8.41711 16.056 8.67331 numMergedOcc 0
21 mol 152 unq 6 iso 0 dist 9.59193 6.00061 7.99896 4.82496 13.9355 8.05741 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 8.71294 5.41229 5.13245 4.51874 10.8927 6.69288 numMergedOcc 0
23 mol 178 unq 1 iso 0 dist 8.71294 8.57378 9.05082 4.51874 10.8927 6.43573 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.02183 8.80581 5.16386 10.209 11.5992 7.63312 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 12.9245 10.156 7.26832 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 8.14413 7.86668 5.82028 5.06314 9.67457 6.18308 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.47309 8.47457 13.2364 5.15333 12.6878 6.65832 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.47309 8.47457 13.2364 8.1404 9.2491 6.60589 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 9.47309 8.47457 13.2364 15.1783 17.4981 9.16166 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 7.37405 6.15754 6.00143 11.8245 12.2364 8.34494 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 7.37405 6.15754 6.00143 12.4455 10.6898 6.56247 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 7.37405 6.15754 6.00143 14.0876 14.5683 9.36357 numMergedOcc 0
33 mol 234 unq 3 iso 0 dist 7.37405 8.9413 9.8423 12.4455 10.6898 9.45496 numMergedOcc 0
34 mol 234 unq 4 iso 0 dist 7.37405 8.9413 9.8423 14.0876 14.5683 6.7625 numMergedOcc 0
35 mol 234 unq 5 iso 0 dist 9.42966 6.6281 6.00143 6.65785 12.2364 8.34494 numMergedOcc 0
36 mol 234 unq 6 iso 0 dist 9.42966 6.6281 6.00143 10.0624 10.6898 6.56247 numMergedOcc 0
37 mol 234 unq 7 iso 0 dist 9.42966 6.6281 6.00143 13.9869 14.5683 9.36357 numMergedOcc 0
38 mol 234 unq 8 iso 0 dist 9.5831 4.91961 6.16697 11.5103 5.89084 9.45496 numMergedOcc 0
39 mol 234 unq 9 iso 0 dist 9.5831 4.91961 6.16697 4.98993 8.47009 6.7625 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 6.02845 5.99137 9.92965 13.7629 18.5885 9.81562 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 6.02845 5.99137 9.92965 13.3575 17.3842 7.68742 numMergedOcc 0
42 mol 236 unq 2 iso 0 dist 6.02845 5.99137 9.92965 5.03598 9.90092 6.27581 numMergedOcc 0
43 mol 236 unq 3 iso 0 dist 9.35599 5.99137 13.9306 13.7629 22.9635 9.81562 numMergedOcc 0
44 mol 236 unq 4 iso 0 dist 9.35599 5.99137 13.9306 13.3575 21.5876 7.68742 numMergedOcc 0
45 mol 236 unq 5 iso 0 dist 9.35599 5.99137 13.9306 5.03598 14.0237 6.27581 numMergedOcc 0
46 mol 239 unq 0 iso 0 dist 5.62744 6.92721 5.29737 9.00069 6.37342 6.16342 numMergedOcc 0
47 mol 239 unq 1 iso 0 dist 7.76984 6.92721 11.4465 9.00069 15.8376 6.16342 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.8726 5.31858 9.22664 6.60345 8.58088 6.42289 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 5.48552 9.74679 8.53687 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 8.87598 5.29682 6.59107 5.56656 10.8647 8.13497 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 8.87598 6.20344 11.1778 5.56656 10.8647 7.88519 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 8.87598 6.20344 11.1778 6.08432 14.2398 7.84554 numMergedOcc 0
53 mol 259 unq 4 iso 0 dist 8.87598 6.20344 11.1778 10.3156 15.0974 7.46176 numMergedOcc 0
54 mol 259 unq 5 iso 0 dist 8.87598 6.20344 11.1778 9.55719 18.1936 9.18903 numMergedOcc 0
55 mol 265 unq 0 iso 0 dist 5.14122 8.59825 7.8929 11.5105 13.4214 8.4218 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 5.72197 7.34596 4.58403 4.36798 5.67266 8.76532 numMergedOcc 0
57 mol 282 unq 1 iso 0 dist 5.72197 7.12228 5.04235 4.36798 5.67266 6.33524 numMergedOcc 0
