A1AP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N | sing | 1.34Å | 1.33Å | |
| N | C1 | sing | 1.46Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C | sing | 1.50Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 122.2° | 118.6° |
| O | C | C3 | 119.5° | 118.6° |
| C | N | C1 | 126.1° | 122.9° |
| N | C | C3 | 118.4° | 122.8° |
| C | N | H | 116.9° | 118.5° |
| N | C1 | C2 | 109.4° | 110.0° |
| C1 | N | H | 116.9° | 118.6° |
| N | C1 | H2 | 109.5° | 109.4° |
| N | C1 | H1 | 109.5° | 109.4° |
| C1 | C2 | N1 | 109.8° | 108.8° |
| C2 | C1 | H2 | 109.5° | 109.3° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.4° | 109.6° |
| C1 | C2 | H3 | 109.4° | 109.6° |
| C2 | N1 | C3 | 112.3° | 110.2° |
| C2 | N1 | H5 | 108.8° | 111.0° |
| N1 | C2 | H4 | 109.4° | 109.5° |
| N1 | C2 | H3 | 109.4° | 109.6° |
| N1 | C3 | C | 114.1° | 110.0° |
| N1 | C3 | C4 | 111.6° | 109.4° |
| C3 | N1 | H5 | 108.8° | 111.0° |
| N1 | C3 | H6 | 107.0° | 109.4° |
| C | C3 | C4 | 111.0° | 109.4° |
| C | C3 | H6 | 106.4° | 109.3° |
| C3 | C4 | C5 | 114.9° | 109.5° |
| C3 | C4 | H8 | 108.1° | 109.5° |
| C3 | C4 | H7 | 108.1° | 109.5° |
| C4 | C3 | H6 | 106.3° | 109.4° |
| C4 | C5 | C6 | 112.5° | 109.4° |
| C4 | C5 | C10 | 111.4° | 109.5° |
| C5 | C4 | H8 | 108.1° | 109.4° |
| C5 | C4 | H7 | 108.1° | 109.5° |
| C4 | C5 | H9 | 108.0° | 109.4° |
| C5 | C6 | C7 | 111.7° | 109.4° |
| C6 | C5 | C10 | 108.7° | 109.5° |
| C6 | C5 | H9 | 108.0° | 109.5° |
| C5 | C6 | H10 | 108.9° | 109.5° |
| C5 | C6 | H11 | 108.9° | 109.5° |
| C6 | C7 | C8 | 111.5° | 109.5° |
| C7 | C6 | H10 | 108.9° | 109.5° |
| C7 | C6 | H11 | 108.9° | 109.4° |
| C6 | C7 | H12 | 109.0° | 109.5° |
| C6 | C7 | H13 | 109.0° | 109.5° |
| C7 | C8 | C9 | 111.3° | 109.4° |
| C8 | C7 | H12 | 108.9° | 109.5° |
| C8 | C7 | H13 | 109.0° | 109.5° |
| C7 | C8 | H14 | 109.0° | 109.5° |
| C7 | C8 | H15 | 109.0° | 109.4° |
| C8 | C9 | C10 | 111.3° | 109.5° |
| C9 | C8 | H14 | 109.0° | 109.5° |
| C9 | C8 | H15 | 109.0° | 109.5° |
| C8 | C9 | H16 | 109.0° | 109.5° |
| C8 | C9 | H17 | 109.0° | 109.4° |
| C9 | C10 | C5 | 111.7° | 109.4° |
| C9 | C10 | H18 | 108.9° | 109.5° |
| C9 | C10 | H19 | 108.9° | 109.5° |
| C10 | C9 | H16 | 109.0° | 109.5° |
| C10 | C9 | H17 | 109.0° | 109.5° |
| C10 | C5 | H9 | 108.1° | 109.5° |
| C5 | C10 | H18 | 108.9° | 109.4° |
| C5 | C10 | H19 | 108.9° | 109.5° |
| H8 | C4 | H7 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.4° | 109.5° |
| H18 | C10 | H19 | 109.4° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.3° |
| H4 | C2 | H3 | 109.5° | 109.7° |
| H16 | C9 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C3 | 179.3° | 179.9° |
| O | C | N | C1 | 172.7° | 178.4° |
| O | C | C3 | N1 | 178.7° | 162.8° |
| O | C | C3 | C4 | 54.3° | 42.7° |
| O | C | N | H | 7.3° | 1.7° |
| O | C | C3 | H6 | 61.0° | 77.1° |
| C | N | C1 | H | 180.0° | 180.0° |
| C | N | C1 | C2 | 18.2° | 18.1° |
| N | C | C3 | N1 | 0.6° | 17.2° |
| N | C | C3 | C4 | 126.4° | 137.3° |
| C | N | C1 | H2 | 138.2° | 102.0° |
| C | N | C1 | H1 | 101.8° | 138.4° |
| N | C | C3 | H6 | 118.3° | 102.9° |
| N | C1 | C2 | H2 | 120.0° | 120.2° |
| N | C1 | C2 | H1 | 120.0° | 120.2° |
| N | C1 | C2 | N1 | 52.5° | 50.3° |
| C1 | N | C | C3 | 8.0° | 1.7° |
| N | C1 | H2 | H1 | 120.0° | 119.7° |
| N | C1 | C2 | H4 | 67.6° | 69.5° |
| N | C1 | C2 | H3 | 172.6° | 170.0° |
| C1 | C2 | N1 | H4 | 120.1° | 119.8° |
| C1 | C2 | N1 | H3 | 120.1° | 119.8° |
| C1 | C2 | N1 | C3 | 63.0° | 69.0° |
| C1 | C2 | N1 | H5 | 176.6° | 54.3° |
| C2 | C1 | N | H | 161.8° | 161.8° |
| C2 | C1 | H2 | H1 | 120.0° | 119.7° |
| C1 | C2 | H4 | H3 | 119.8° | 120.4° |
| C2 | N1 | C3 | H5 | 120.4° | 123.3° |
| C2 | N1 | C3 | C | 35.7° | 50.3° |
| C2 | N1 | C3 | C4 | 91.0° | 170.4° |
| N1 | C2 | C1 | H2 | 172.5° | 69.9° |
| N1 | C2 | C1 | H1 | 67.5° | 170.5° |
| N1 | C2 | H4 | H3 | 119.9° | 120.3° |
| C2 | N1 | C3 | H6 | 153.1° | 69.8° |
| N1 | C3 | C | C4 | 127.0° | 120.1° |
| N1 | C3 | C | H6 | 117.7° | 120.1° |
| N1 | C3 | C4 | H6 | 116.3° | 119.8° |
| N1 | C3 | C4 | C5 | 47.2° | 64.1° |
| N1 | C3 | C4 | H8 | 168.0° | 55.9° |
| N1 | C3 | C4 | H7 | 73.6° | 175.9° |
| C3 | N1 | C2 | H4 | 57.1° | 50.8° |
| C3 | N1 | C2 | H3 | 177.0° | 171.2° |
| C | C3 | C4 | H6 | 115.4° | 119.7° |
| C | C3 | C4 | C5 | 175.6° | 175.4° |
| C | C3 | N1 | H5 | 156.2° | 73.0° |
| C | C3 | C4 | H8 | 63.6° | 64.6° |
| C | C3 | C4 | H7 | 54.8° | 55.4° |
| C3 | C | N | H | 172.0° | 178.3° |
| C3 | C4 | C5 | H8 | 120.8° | 120.0° |
| C3 | C4 | C5 | H7 | 120.8° | 120.0° |
| C3 | C4 | C5 | C6 | 98.3° | 65.9° |
| C3 | C4 | C5 | C10 | 139.4° | 174.2° |
| C4 | C3 | N1 | H5 | 29.4° | 47.1° |
| C3 | C4 | H8 | H7 | 117.5° | 120.0° |
| C3 | C4 | C5 | H9 | 20.8° | 54.2° |
| C4 | C5 | C6 | C10 | 123.9° | 120.0° |
| C4 | C5 | C6 | H9 | 119.1° | 120.0° |
| C4 | C5 | C6 | C7 | 178.4° | 180.0° |
| C4 | C5 | C10 | C9 | 177.3° | 180.0° |
| C4 | C5 | C10 | H9 | 118.5° | 120.0° |
| C5 | C4 | H8 | H7 | 117.6° | 120.0° |
| C4 | C5 | C6 | H10 | 58.1° | 60.0° |
| C4 | C5 | C6 | H11 | 61.3° | 60.0° |
| C4 | C5 | C10 | H18 | 57.0° | 60.0° |
| C4 | C5 | C10 | H19 | 62.3° | 60.0° |
| C5 | C4 | C3 | H6 | 69.1° | 55.7° |
| C5 | C6 | C7 | H10 | 120.3° | 120.0° |
| C5 | C6 | C7 | H11 | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 56.1° | 60.0° |
| C6 | C5 | C10 | C9 | 58.2° | 60.0° |
| C6 | C5 | C10 | H9 | 117.0° | 120.1° |
| C6 | C5 | C4 | H8 | 22.5° | 174.1° |
| C6 | C5 | C4 | H7 | 140.9° | 54.2° |
| C5 | C6 | H10 | H11 | 119.0° | 120.1° |
| C5 | C6 | C7 | H12 | 64.2° | 60.0° |
| C5 | C6 | C7 | H13 | 176.4° | 179.9° |
| C6 | C5 | C10 | H18 | 178.5° | 60.0° |
| C6 | C5 | C10 | H19 | 62.2° | 180.0° |
| C6 | C7 | C8 | H12 | 120.3° | 120.0° |
| C6 | C7 | C8 | H13 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 53.0° | 60.0° |
| C7 | C6 | C5 | C10 | 57.8° | 60.0° |
| C7 | C6 | C5 | H9 | 59.3° | 60.0° |
| C7 | C6 | H10 | H11 | 119.0° | 120.0° |
| C6 | C7 | H12 | H13 | 119.1° | 120.0° |
| C6 | C7 | C8 | H14 | 173.3° | 180.0° |
| C6 | C7 | C8 | H15 | 67.2° | 60.0° |
| C7 | C8 | C9 | H14 | 120.3° | 120.0° |
| C7 | C8 | C9 | H15 | 120.3° | 119.9° |
| C7 | C8 | C9 | C10 | 53.3° | 60.0° |
| C8 | C7 | C6 | H10 | 176.4° | 180.0° |
| C8 | C7 | C6 | H11 | 64.3° | 60.0° |
| C8 | C7 | H12 | H13 | 119.1° | 120.0° |
| C7 | C8 | H14 | H15 | 119.2° | 120.0° |
| C7 | C8 | C9 | H16 | 66.9° | 60.1° |
| C7 | C8 | C9 | H17 | 173.6° | 180.0° |
| C8 | C9 | C10 | H16 | 120.3° | 120.1° |
| C8 | C9 | C10 | H17 | 120.3° | 120.0° |
| C8 | C9 | C10 | C5 | 56.9° | 60.0° |
| C9 | C8 | C7 | H12 | 67.3° | 60.1° |
| C9 | C8 | C7 | H13 | 173.4° | 180.0° |
| C9 | C8 | H14 | H15 | 119.1° | 120.0° |
| C8 | C9 | C10 | H18 | 177.2° | 59.9° |
| C8 | C9 | C10 | H19 | 63.4° | 180.0° |
| C8 | C9 | H16 | H17 | 119.1° | 119.9° |
| C9 | C10 | C5 | H18 | 120.4° | 120.0° |
| C9 | C10 | C5 | H19 | 120.3° | 120.0° |
| C9 | C10 | C5 | H9 | 58.8° | 60.1° |
| C10 | C9 | C8 | H14 | 173.6° | 180.0° |
| C10 | C9 | C8 | H15 | 66.9° | 59.9° |
| C9 | C10 | H18 | H19 | 119.0° | 120.1° |
| C10 | C9 | H16 | H17 | 119.2° | 120.0° |
| C10 | C5 | C4 | H8 | 99.8° | 54.2° |
| C10 | C5 | C4 | H7 | 18.6° | 65.8° |
| C10 | C5 | C6 | H10 | 178.1° | 180.0° |
| C10 | C5 | C6 | H11 | 62.6° | 60.0° |
| C5 | C10 | H18 | H19 | 119.0° | 120.0° |
| C5 | C10 | C9 | H16 | 63.4° | 60.1° |
| C5 | C10 | C9 | H17 | 177.2° | 180.0° |
| H5 | N1 | C2 | H4 | 63.3° | 174.1° |
| H5 | N1 | C2 | H3 | 56.6° | 65.4° |
| H5 | N1 | C3 | H6 | 86.4° | 166.9° |
| H8 | C4 | C5 | H9 | 141.6° | 65.8° |
| H8 | C4 | C3 | H6 | 51.7° | 175.7° |
| H7 | C4 | C5 | H9 | 100.0° | 174.2° |
| H7 | C4 | C3 | H6 | 170.1° | 64.3° |
| H9 | C5 | C6 | H10 | 61.1° | 59.9° |
| H9 | C5 | C6 | H11 | 179.6° | 180.0° |
| H9 | C5 | C10 | H18 | 61.5° | 180.0° |
| H9 | C5 | C10 | H19 | 179.2° | 60.0° |
| H10 | C6 | C7 | H12 | 56.1° | 59.9° |
| H10 | C6 | C7 | H13 | 63.3° | 60.0° |
| H11 | C6 | C7 | H12 | 175.4° | 179.9° |
| H11 | C6 | C7 | H13 | 56.0° | 60.0° |
| H12 | C7 | C8 | H14 | 53.0° | 60.0° |
| H12 | C7 | C8 | H15 | 172.5° | 180.0° |
| H13 | C7 | C8 | H14 | 66.4° | 60.0° |
| H13 | C7 | C8 | H15 | 53.1° | 60.1° |
| H14 | C8 | C9 | H16 | 53.3° | 60.0° |
| H14 | C8 | C9 | H17 | 66.1° | 60.0° |
| H15 | C8 | C9 | H16 | 172.8° | 180.0° |
| H15 | C8 | C9 | H17 | 53.3° | 60.1° |
| H18 | C10 | C9 | H16 | 56.9° | 180.0° |
| H18 | C10 | C9 | H17 | 62.5° | 60.1° |
| H19 | C10 | C9 | H16 | 176.2° | 59.9° |
| H19 | C10 | C9 | H17 | 56.8° | 60.0° |
| H | N | C1 | H2 | 41.8° | 78.0° |
| H | N | C1 | H1 | 78.2° | 41.6° |
| H2 | C1 | C2 | H4 | 52.4° | 170.4° |
| H2 | C1 | C2 | H3 | 67.4° | 49.9° |
| H1 | C1 | C2 | H4 | 172.4° | 50.7° |
| H1 | C1 | C2 | H3 | 52.6° | 69.8° |
