A1INA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB4 | CA4 | sing | 1.53Å | 1.53Å | |
| N4 | CA4 | sing | 1.46Å | 1.46Å | |
| N4 | C3 | sing | 1.35Å | 1.45Å | |
| CA3 | C3 | sing | 1.51Å | 1.53Å | |
| O4 | C4 | sing | 1.43Å | 1.17Å | |
| CA4 | C4 | sing | 1.53Å | 1.61Å | |
| C3 | O3 | doub | 1.21Å | 1.18Å | |
| C4 | C15 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| CA3 | H6 | sing | 1.09Å | 1.10Å | |
| CA3 | H7 | sing | 1.09Å | 1.10Å | |
| CA3 | H8 | sing | 1.09Å | 1.10Å | |
| CA4 | H9 | sing | 1.09Å | 1.10Å | |
| CB4 | H10 | sing | 1.09Å | 1.10Å | |
| CB4 | H11 | sing | 1.09Å | 1.10Å | |
| CB4 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB4 | CA4 | N4 | 105.7° | 109.5° |
| CB4 | CA4 | C4 | 108.0° | 109.5° |
| CB4 | CA4 | H9 | 111.1° | 109.5° |
| CA4 | CB4 | H10 | 109.5° | 109.4° |
| CA4 | CB4 | H11 | 109.5° | 109.5° |
| CA4 | CB4 | H12 | 109.4° | 109.5° |
| CA4 | N4 | C3 | 123.1° | 120.0° |
| N4 | CA4 | C4 | 109.6° | 109.5° |
| N4 | CA4 | H9 | 112.2° | 109.5° |
| CA4 | N4 | H13 | 118.5° | 120.0° |
| N4 | C3 | CA3 | 119.5° | 120.0° |
| N4 | C3 | O3 | 120.7° | 119.9° |
| C3 | N4 | H13 | 118.4° | 119.9° |
| CA3 | C3 | O3 | 119.7° | 120.0° |
| C3 | CA3 | H6 | 109.5° | 109.5° |
| C3 | CA3 | H7 | 109.5° | 109.5° |
| C3 | CA3 | H8 | 109.5° | 109.5° |
| O4 | C4 | CA4 | 106.6° | 109.5° |
| O4 | C4 | C15 | 127.3° | 109.5° |
| O4 | C4 | H1 | 106.1° | 109.5° |
| C4 | O4 | H2 | 109.5° | 114.0° |
| CA4 | C4 | C15 | 110.1° | 109.5° |
| CA4 | C4 | H1 | 101.6° | 109.5° |
| C4 | CA4 | H9 | 110.0° | 109.4° |
| C15 | C4 | H1 | 102.2° | 109.5° |
| C4 | C15 | H3 | 109.5° | 109.5° |
| C4 | C15 | H4 | 109.4° | 109.5° |
| C4 | C15 | H5 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H3 | C15 | H5 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | CA3 | H7 | 109.4° | 109.4° |
| H6 | CA3 | H8 | 109.5° | 109.4° |
| H7 | CA3 | H8 | 109.5° | 109.5° |
| H10 | CB4 | H11 | 109.4° | 109.5° |
| H10 | CB4 | H12 | 109.5° | 109.5° |
| H11 | CB4 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB4 | CA4 | N4 | C4 | 116.2° | 120.0° |
| CB4 | CA4 | N4 | H9 | 121.3° | 120.1° |
| CB4 | CA4 | N4 | C3 | 163.9° | 84.9° |
| CB4 | CA4 | C4 | O4 | 77.0° | 60.0° |
| CB4 | CA4 | C4 | H9 | 121.4° | 120.0° |
| CB4 | CA4 | C4 | C15 | 141.6° | 180.0° |
| CB4 | CA4 | C4 | H1 | 33.9° | 60.0° |
| CA4 | CB4 | H10 | H11 | 120.0° | 120.0° |
| CA4 | CB4 | H10 | H12 | 120.0° | 120.0° |
| CA4 | CB4 | H11 | H12 | 120.0° | 120.0° |
| CB4 | CA4 | N4 | H13 | 16.0° | 94.9° |
| CA4 | N4 | C3 | H13 | 180.0° | 179.8° |
| CA4 | N4 | C3 | CA3 | 180.0° | 179.8° |
| N4 | CA4 | C4 | O4 | 37.7° | 60.0° |
| N4 | CA4 | C4 | H9 | 123.8° | 119.9° |
| CA4 | N4 | C3 | O3 | 0.1° | 0.1° |
| N4 | CA4 | C4 | C15 | 103.7° | 59.9° |
| N4 | CA4 | C4 | H1 | 148.6° | 180.0° |
| N4 | CA4 | CB4 | H10 | 180.0° | 60.0° |
| N4 | CA4 | CB4 | H11 | 60.0° | 180.0° |
| N4 | CA4 | CB4 | H12 | 60.0° | 60.0° |
| N4 | C3 | CA3 | O3 | 179.9° | 179.6° |
| C3 | N4 | CA4 | C4 | 79.9° | 155.0° |
| N4 | C3 | CA3 | H6 | 179.9° | 89.7° |
| N4 | C3 | CA3 | H7 | 59.9° | 30.3° |
| N4 | C3 | CA3 | H8 | 60.1° | 150.3° |
| C3 | N4 | CA4 | H9 | 42.6° | 35.1° |
| C3 | CA3 | H6 | H7 | 120.0° | 120.0° |
| C3 | CA3 | H6 | H8 | 120.0° | 120.0° |
| C3 | CA3 | H7 | H8 | 120.0° | 120.0° |
| CA3 | C3 | N4 | H13 | 0.0° | 0.4° |
| O4 | C4 | CA4 | C15 | 141.4° | 120.0° |
| O4 | C4 | CA4 | H1 | 110.9° | 120.0° |
| O4 | C4 | C15 | H1 | 121.3° | 120.0° |
| O4 | C4 | C15 | H3 | 180.0° | 59.9° |
| O4 | C4 | C15 | H4 | 60.0° | 180.0° |
| O4 | C4 | C15 | H5 | 60.0° | 60.0° |
| O4 | C4 | CA4 | H9 | 161.6° | 180.0° |
| CA4 | C4 | C15 | H1 | 107.4° | 120.0° |
| CA4 | C4 | O4 | H2 | 180.0° | 59.9° |
| CA4 | C4 | C15 | H3 | 48.7° | 60.0° |
| CA4 | C4 | C15 | H4 | 168.7° | 60.1° |
| CA4 | C4 | C15 | H5 | 71.3° | 179.9° |
| C4 | CA4 | CB4 | H10 | 62.7° | 60.0° |
| C4 | CA4 | CB4 | H11 | 177.3° | 60.0° |
| C4 | CA4 | CB4 | H12 | 57.3° | 180.0° |
| C4 | CA4 | N4 | H13 | 100.1° | 25.1° |
| O3 | C3 | CA3 | H6 | 0.0° | 90.0° |
| O3 | C3 | CA3 | H7 | 120.0° | 150.1° |
| O3 | C3 | CA3 | H8 | 120.0° | 30.0° |
| O3 | C3 | N4 | H13 | 179.9° | 180.0° |
| C15 | C4 | O4 | H2 | 47.4° | 60.0° |
| C4 | C15 | H3 | H4 | 120.0° | 120.1° |
| C4 | C15 | H3 | H5 | 120.0° | 120.0° |
| C4 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C4 | CA4 | H9 | 20.1° | 60.0° |
| H1 | C4 | O4 | H2 | 72.2° | 179.9° |
| H1 | C4 | C15 | H3 | 58.7° | 180.0° |
| H1 | C4 | C15 | H4 | 61.3° | 60.0° |
| H1 | C4 | C15 | H5 | 178.7° | 60.1° |
| H1 | C4 | CA4 | H9 | 87.6° | 60.1° |
| H3 | C15 | H4 | H5 | 120.0° | 119.9° |
| H6 | CA3 | H7 | H8 | 120.0° | 119.9° |
| H9 | CA4 | CB4 | H10 | 58.0° | 180.0° |
| H9 | CA4 | CB4 | H11 | 62.0° | 60.0° |
| H9 | CA4 | CB4 | H12 | 178.0° | 60.1° |
| H9 | CA4 | N4 | H13 | 137.4° | 145.0° |
| H10 | CB4 | H11 | H12 | 120.0° | 120.0° |
