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- C = 1.5 (.5,.5,.5)
- O = 1.4 (1.,0.,0.)
- N = 1.5 (0.,0.,1.)
- N : -6.086 25.904 15.389
- C : -5.416 24.609 15.552
- C : -4.609 23.960 14.428
- O : -3.582 23.291 14.674
- C : -6.460 23.564 15.941
- C : -7.226 23.846 17.286
- C : -8.491 24.247 17.473
- C : -6.707 23.663 18.569
- N : -8.752 24.394 18.892
- C : -7.712 24.006 19.519
- C : -5.476 23.243 19.016
- C : -7.564 23.947 20.906
- C : -5.332 23.200 20.417
- C : -6.345 23.499 21.316
- O : -5.095 24.183 13.219
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