0 mol 14 unq 0 iso 0 dist 8.64855 5.39895 7.28563 11.8313 4.53725 8.51112 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.94714 7.70341 8.51112 10.556 4.53725 7.28563 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.2978 4.84965 6.41856 7.37356 10.1903 8.51213 numMergedOcc 0
3 mol 18 unq 1 iso 0 dist 7.37356 4.84965 8.51213 9.2978 10.1903 6.41856 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.84521 5.00932 8.99509 8.90024 5.06502 8.47617 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 6.84521 5.00932 8.99509 6.78532 5.89973 5.73331 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 6.84521 5.00932 8.99509 11.377 11.1644 8.48694 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.06275 14.8755 8.47617 12.0618 5.06502 8.99509 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 8.06275 14.8755 8.47617 14.4184 6.45462 5.73331 numMergedOcc 0
9 mol 43 unq 5 iso 0 dist 8.06275 14.8755 8.47617 17.8038 10.5986 8.48694 numMergedOcc 0
10 mol 43 unq 6 iso 0 dist 8.90024 5.00932 8.47617 6.84521 5.06502 8.99509 numMergedOcc 0
11 mol 43 unq 7 iso 0 dist 8.90024 5.00932 8.47617 6.78532 6.45462 5.73331 numMergedOcc 0
12 mol 43 unq 8 iso 0 dist 8.90024 5.00932 8.47617 11.377 10.5986 8.48694 numMergedOcc 0
13 mol 43 unq 9 iso 0 dist 6.78532 5.00932 5.73331 6.84521 5.89973 8.99509 numMergedOcc 0
14 mol 43 unq 10 iso 0 dist 6.78532 5.00932 5.73331 8.90024 6.45462 8.47617 numMergedOcc 0
15 mol 43 unq 11 iso 0 dist 6.78532 5.00932 5.73331 11.377 5.46146 8.48694 numMergedOcc 0
16 mol 62 unq 0 iso 0 dist 8.27156 11.3515 9.58156 12.0244 8.62608 6.56664 numMergedOcc 0
17 mol 62 unq 1 iso 0 dist 8.27156 11.2658 7.59416 12.0244 8.62608 9.96382 numMergedOcc 0
18 mol 89 unq 0 iso 0 dist 8.85873 5.19804 5.25504 7.3606 6.88931 7.84991 numMergedOcc 0
19 mol 89 unq 1 iso 0 dist 7.3606 5.19804 7.84991 8.85873 6.88931 5.25504 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 6.86713 11.5826 8.13273 13.3871 6.59884 8.29852 numMergedOcc 0
21 mol 110 unq 0 iso 0 dist 9.9633 12.0707 8.93253 12.1631 4.56913 8.1306 numMergedOcc 0
22 mol 110 unq 1 iso 0 dist 7.77678 6.99654 8.1306 10.6355 4.56913 8.93253 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 9.94179 7.03937 6.29975 13.2418 6.69554 6.53153 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 9.94179 7.03937 6.29975 12.2738 7.6656 8.29673 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 8.94541 9.35663 8.75736 10.5335 7.93571 6.32178 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 8.94541 4.4033 6.76166 10.5335 7.93571 7.2977 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.30919 14.4662 8.75736 10.3264 7.93571 6.32178 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.30919 12.021 6.76166 10.3264 7.93571 7.2977 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 12.6531 5.42328 9.37459 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.34839 14.9554 9.0847 14.5994 6.4896 6.00061 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.34839 14.9554 9.0847 17.6206 10.2431 8.33302 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 6.0639 5.18812 9.71735 6.91355 6.85436 9.04898 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 6.91355 5.18812 9.04898 6.0639 6.85436 9.71735 numMergedOcc 0
34 mol 196 unq 0 iso 0 dist 9.36732 14.2286 7.23126 14.7113 10.2747 4.97115 numMergedOcc 0
35 mol 196 unq 1 iso 0 dist 9.36732 14.2286 7.23126 13.6316 11.8114 9.45804 numMergedOcc 0
36 mol 196 unq 2 iso 0 dist 9.36732 14.2286 7.23126 15.1096 10.1707 9.8486 numMergedOcc 0
37 mol 213 unq 0 iso 0 dist 9.73691 9.92307 8.48081 11.9596 5.45334 7.22234 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.39537 5.81253 8.39522 8.97461 14.0328 5.99187 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 9.39537 5.81253 8.39522 8.89487 15.8898 9.93378 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 8.97461 5.81253 5.99187 9.39537 14.0328 8.39522 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 8.97461 5.81253 5.99187 8.89487 6.85126 9.93378 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 6.94654 11.7816 9.93378 13.7556 15.8898 8.39522 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 6.94654 11.7816 9.93378 11.7526 6.85126 5.99187 numMergedOcc 0
44 mol 238 unq 6 iso 0 dist 8.89487 5.81253 9.93378 9.39537 15.8898 8.39522 numMergedOcc 0
45 mol 238 unq 7 iso 0 dist 8.89487 5.81253 9.93378 8.97461 6.85126 5.99187 numMergedOcc 0
46 mol 240 unq 0 iso 0 dist 7.6664 10.8459 7.0935 11.4891 4.28414 7.12912 numMergedOcc 0
47 mol 243 unq 0 iso 0 dist 7.80612 14.2037 8.69557 16.3818 10.2411 9.39147 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 9.2067 10.9933 5.31858 9.16078 5.30627 5.71851 numMergedOcc 0
49 mol 258 unq 1 iso 0 dist 9.16078 10.9933 5.71851 9.2067 5.30627 5.31858 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 6.94723 4.85466 7.1704 13.2868 9.32522 9.63837 numMergedOcc 0
51 mol 280 unq 1 iso 0 dist 6.52188 9.78637 7.1704 15.6083 9.32522 9.63837 numMergedOcc 0
