C3 H7 N O2 89.09 264 314 1.42 C 3.1133 2.7796 1.817 0 0.0 30.0 C 2.0036 2.0206 1.1013 1 -25.98076211353316 45.0 C 1.964 0.5868 1.6215 3 -51.96152422706632 29.999999999999993 N 0.7338 2.7669 1.2777 2 -25.980762113533174 75.0 O 4.1888 3.0708 1.0506 1 25.980762113533153 45.000000000000014 O 3.171 3.1403 2.9781 0 0.0 0.0 alanine_a1 alanine_a2 1 alanine_a1 alanine_a5 1 alanine_a1 alanine_a6 2 alanine_a2 alanine_a3 1 alanine_a2 alanine_a4 1