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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)
- ; ILE 81
- N : 31.609 16.686 22.106
- C : 31.161 16.157 20.845
- C : 30.674 14.727 21.035
- O : 31.031 13.972 21.912
- C : 32.209 16.118 19.740
- C : 33.361 15.235 20.139
- C : 32.604 17.578 19.455
- C : 34.474 15.144 19.090
- H : 32.217 16.132 22.623
- H : 30.306 16.721 20.515
- H : 31.831 15.833 18.771
- H : 33.719 15.659 21.097
- H : 33.033 14.208 20.392
- H : 32.702 18.077 20.442
- H : 33.322 17.820 18.725
- H : 31.629 17.986 19.113
- H : 34.426 16.152 18.618
- H : 35.462 14.777 19.264
- H : 34.074 14.382 18.331
- O : 29.835 14.358 20.052
-