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- C = 1.5 (.5,.5,.5)
- O = 1.4 (1.,0.,0.)
- N = 1.5 (0.,0.,1.)
- P = 2.0 (.85,.85,0.)
- P : 46.347 28.164 24.578
- O : 45.406 28.422 25.706
- O : 45.629 27.787 23.198
- O : 47.521 27.264 24.829
- O : 46.996 29.585 24.375
- C : 46.289 30.658 24.013
- C : 46.879 31.746 24.811
- C : 46.481 31.713 26.283
- O : 47.524 32.291 27.038
- C : 45.202 32.528 26.297
- C : 45.284 33.569 25.052
- O : 46.448 33.051 24.318
- N : 44.302 34.189 24.465
- C : 43.468 35.225 25.073
- O : 43.329 35.406 26.217
- N : 42.242 35.518 24.485
- C : 42.150 35.468 23.094
- O : 41.340 36.045 22.398
- C : 43.211 34.634 22.500
- C : 43.700 33.610 23.367
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