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- C = 1.5 (.5,.5,.5)
- O = 1.4 (1.,0.,0.)
- N = 1.5 (0.,0.,1.)
- H = 0.90 (1.0, 1.0, 1.0)
- ; PHE 8
- N : 25.073 22.661 7.836
- C : 26.036 22.471 8.899
- C : 25.330 22.382 10.270
- O : 25.630 21.551 11.137
- C : 27.241 23.458 8.933
- C : 28.237 23.234 9.997
- C : 29.410 22.459 9.781
- C : 28.048 23.742 11.298
- C : 30.352 22.179 10.801
- C : 28.909 23.463 12.311
- C : 30.060 22.704 12.061
- H : 25.181 23.488 7.222
- H : 26.722 21.657 8.796
- H : 27.617 23.414 7.875
- H : 26.831 24.464 8.972
- H : 29.565 22.079 8.843
- H : 27.149 24.310 11.450
- H : 31.179 21.620 10.638
- H : 28.791 23.848 13.232
- H : 30.785 22.506 12.831
- O : 24.421 23.301 10.588
-