0 mol 63 unq 0 iso 0 dist 6.49343 12.2413 9.78739 4.44607 6.42443 12.0704 numMergedOcc 0
1 mol 63 unq 0 iso 1 dist 9.78739 12.2413 6.49343 12.0704 6.42443 4.44607 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.52643 5.76037 5.41357 10.9916 8.6701 7.48046 numMergedOcc 0
3 mol 64 unq 0 iso 1 dist 5.41357 5.76037 8.52643 7.48046 8.6701 10.9916 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 5.73235 10.0928 7.48127 5.50078 9.50939 11.6853 numMergedOcc 0
5 mol 76 unq 0 iso 1 dist 7.48127 10.0928 5.73235 11.6853 9.50939 5.50078 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 9.90256 6.69898 7.57471 13.3292 9.20673 6.90315 numMergedOcc 0
7 mol 87 unq 0 iso 1 dist 7.57471 6.69898 9.90256 6.90315 9.20673 13.3292 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.54778 8.36743 8.57909 5.72803 5.87382 4.5348 numMergedOcc 0
9 mol 114 unq 0 iso 1 dist 8.57909 8.36743 6.54778 4.5348 5.87382 5.72803 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.79195 12.1681 9.2759 4.37065 8.98028 15.7191 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 9.2759 12.1681 5.79195 15.7191 8.98028 4.37065 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 5.79195 9.34083 8.76088 4.37065 8.98028 13.5318 numMergedOcc 0
13 mol 133 unq 1 iso 1 dist 8.76088 9.34083 5.79195 13.5318 8.98028 4.37065 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.2759 11.2107 8.76088 15.7191 8.98028 13.5318 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 8.76088 11.2107 9.2759 13.5318 8.98028 15.7191 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 8.6953 10.8037 9.18753 3.54257 9.0735 8.03052 numMergedOcc 0
17 mol 148 unq 0 iso 1 dist 9.18753 10.8037 8.6953 8.03052 9.0735 3.54257 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 8.65967 10.8647 9.15244 3.59609 9.03593 8.06512 numMergedOcc 0
19 mol 150 unq 0 iso 1 dist 9.15244 10.8647 8.65967 8.06512 9.03593 3.59609 numMergedOcc 0
20 mol 165 unq 0 iso 0 dist 9.8755 11.6064 7.21397 14.2934 8.00005 6.22764 numMergedOcc 0
21 mol 165 unq 0 iso 1 dist 7.21397 11.6064 9.8755 6.22764 8.00005 14.2934 numMergedOcc 0
22 mol 165 unq 1 iso 0 dist 9.8755 8.38499 8.46714 14.2934 8.00005 7.58478 numMergedOcc 0
23 mol 165 unq 1 iso 1 dist 8.46714 8.38499 9.8755 7.58478 8.00005 14.2934 numMergedOcc 0
24 mol 165 unq 1 iso 0 dist 7.21397 8.33453 8.46714 6.22764 8.00005 7.58478 numMergedOcc 0
25 mol 165 unq 1 iso 1 dist 8.46714 8.33453 7.21397 7.58478 8.00005 6.22764 numMergedOcc 0
26 mol 182 unq 0 iso 0 dist 8.27913 9.61687 8.85111 5.28013 9.75791 5.89583 numMergedOcc 0
27 mol 182 unq 0 iso 1 dist 8.85111 9.61687 8.27913 5.89583 9.75791 5.28013 numMergedOcc 0
28 mol 182 unq 1 iso 0 dist 8.27913 9.61687 8.85111 11.1857 7.52751 5.07242 numMergedOcc 0
29 mol 182 unq 1 iso 1 dist 8.85111 9.61687 8.27913 5.07242 7.52751 11.1857 numMergedOcc 0
30 mol 182 unq 2 iso 0 dist 8.27913 11.427 6.38335 5.28013 9.75791 12.2157 numMergedOcc 0
31 mol 182 unq 2 iso 1 dist 6.38335 11.427 8.27913 12.2157 9.75791 5.28013 numMergedOcc 0
32 mol 182 unq 3 iso 0 dist 8.27913 11.427 6.38335 11.1857 7.52751 5.36021 numMergedOcc 0
33 mol 182 unq 3 iso 1 dist 6.38335 11.427 8.27913 5.36021 7.52751 11.1857 numMergedOcc 0
34 mol 182 unq 2 iso 0 dist 8.85111 9.71185 6.38335 5.89583 9.75791 12.2157 numMergedOcc 0
35 mol 182 unq 2 iso 1 dist 6.38335 9.71185 8.85111 12.2157 9.75791 5.89583 numMergedOcc 0
36 mol 182 unq 3 iso 0 dist 8.85111 9.71185 6.38335 5.07242 7.52751 5.36021 numMergedOcc 0
37 mol 182 unq 3 iso 1 dist 6.38335 9.71185 8.85111 5.36021 7.52751 5.07242 numMergedOcc 0
38 mol 212 unq 0 iso 0 dist 7.6819 5.4231 6.36102 9.36407 9.49715 6.05395 numMergedOcc 0
39 mol 212 unq 0 iso 1 dist 6.36102 5.4231 7.6819 6.05395 9.49715 9.36407 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 6.23677 5.49559 9.04741 10.602 7.80646 9.49122 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 9.04741 5.49559 6.23677 9.49122 7.80646 10.602 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.23677 5.92863 7.31608 10.602 7.80646 6.23998 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 7.31608 5.92863 6.23677 6.23998 7.80646 10.602 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 9.04741 5.57847 7.31608 9.49122 7.80646 6.23998 numMergedOcc 0
45 mol 224 unq 1 iso 1 dist 7.31608 5.57847 9.04741 6.23998 7.80646 9.49122 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 7.96226 10.9623 8.82663 6.23998 5.95109 4.93894 numMergedOcc 0
47 mol 224 unq 2 iso 1 dist 8.82663 10.9623 7.96226 4.93894 5.95109 6.23998 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 8.47036 7.8679 9.14989 8.43767 7.51295 9.09648 numMergedOcc 0
49 mol 230 unq 0 iso 1 dist 9.14989 7.8679 8.47036 9.09648 7.51295 8.43767 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 8.26312 7.99748 7.58554 10.9985 5.4687 10.9079 numMergedOcc 0
51 mol 239 unq 0 iso 1 dist 7.58554 7.99748 8.26312 10.9079 5.4687 10.9985 numMergedOcc 0
52 mol 261 unq 0 iso 0 dist 6.0437 4.70691 4.85199 4.0136 7.14871 4.30068 numMergedOcc 0
53 mol 261 unq 0 iso 1 dist 4.85199 4.70691 6.0437 4.30068 7.14871 4.0136 numMergedOcc 0
54 mol 261 unq 1 iso 0 dist 6.0437 9.51335 9.13604 4.0136 7.14871 10.2597 numMergedOcc 0
55 mol 261 unq 1 iso 1 dist 9.13604 9.51335 6.0437 10.2597 7.14871 4.0136 numMergedOcc 0
56 mol 261 unq 1 iso 0 dist 4.85199 6.43452 9.13604 4.30068 7.14871 10.2597 numMergedOcc 0
57 mol 261 unq 1 iso 1 dist 9.13604 6.43452 4.85199 10.2597 7.14871 4.30068 numMergedOcc 0
58 mol 277 unq 0 iso 0 dist 6.66936 11.3688 8.15119 14.4215 9.07744 5.11865 numMergedOcc 0
59 mol 277 unq 0 iso 1 dist 8.15119 11.3688 6.66936 5.11865 9.07744 14.4215 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 6.04225 4.79603 5.00258 4.01024 7.21879 4.4471 numMergedOcc 0
61 mol 282 unq 0 iso 1 dist 5.00258 4.79603 6.04225 4.4471 7.21879 4.01024 numMergedOcc 0
62 mol 282 unq 1 iso 0 dist 6.04225 9.24679 8.22117 4.01024 7.21879 10.1631 numMergedOcc 0
63 mol 282 unq 1 iso 1 dist 8.22117 9.24679 6.04225 10.1631 7.21879 4.01024 numMergedOcc 0
64 mol 282 unq 1 iso 0 dist 5.00258 5.92133 8.22117 4.4471 7.21879 10.1631 numMergedOcc 0
65 mol 282 unq 1 iso 1 dist 8.22117 5.92133 5.00258 10.1631 7.21879 4.4471 numMergedOcc 0
66 mol 282 unq 2 iso 0 dist 9.98886 5.92133 6.81887 12.5442 9.60384 7.00145 numMergedOcc 0
67 mol 282 unq 2 iso 1 dist 6.81887 5.92133 9.98886 7.00145 9.60384 12.5442 numMergedOcc 0
