A1C9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C4 | sing | 1.47Å | 1.46Å | |
| N2 | C5 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.50Å | 1.53Å | |
| C6 | C7 | sing | 1.54Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.50Å | |
| C8 | C9 | sing | 1.50Å | 1.50Å | |
| C9 | C10 | sing | 1.54Å | 1.49Å | |
| C10 | C11 | sing | 1.46Å | 1.50Å | |
| C5 | C11 | sing | 1.54Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 123.4° | 120.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C1 | N1 | H4 | 118.3° | 120.0° |
| N1 | C2 | O1 | 123.0° | 120.0° |
| N1 | C2 | C3 | 116.1° | 120.0° |
| C2 | N1 | H4 | 118.3° | 120.0° |
| O1 | C2 | C3 | 120.9° | 120.0° |
| C2 | C3 | N2 | 116.3° | 109.5° |
| C2 | C3 | H5 | 107.7° | 109.5° |
| C2 | C3 | H6 | 107.7° | 109.5° |
| C3 | N2 | C4 | 112.1° | 111.0° |
| C3 | N2 | C5 | 116.2° | 111.0° |
| N2 | C3 | H5 | 107.7° | 109.5° |
| N2 | C3 | H6 | 107.7° | 109.5° |
| C4 | N2 | C5 | 114.0° | 111.0° |
| N2 | C4 | H7 | 109.5° | 109.5° |
| N2 | C4 | H8 | 109.5° | 109.5° |
| N2 | C4 | H9 | 109.5° | 109.5° |
| N2 | C5 | C6 | 112.9° | 109.6° |
| N2 | C5 | C11 | 108.9° | 109.6° |
| N2 | C5 | H10 | 107.4° | 109.7° |
| C5 | C6 | C7 | 113.1° | 112.5° |
| C6 | C5 | C11 | 113.5° | 108.6° |
| C6 | C5 | H10 | 106.9° | 109.6° |
| C5 | C6 | H11 | 108.6° | 108.9° |
| C5 | C6 | H12 | 108.6° | 108.9° |
| C6 | C7 | C8 | 115.1° | 112.8° |
| C7 | C6 | H11 | 108.6° | 108.9° |
| C7 | C6 | H12 | 108.6° | 108.9° |
| C6 | C7 | H13 | 108.0° | 108.8° |
| C6 | C7 | H14 | 108.0° | 108.8° |
| C7 | C8 | C9 | 115.7° | 112.5° |
| C8 | C7 | H13 | 108.1° | 108.8° |
| C8 | C7 | H14 | 108.1° | 108.8° |
| C7 | C8 | H15 | 107.9° | 108.9° |
| C7 | C8 | H16 | 107.9° | 108.9° |
| C8 | C9 | C10 | 115.3° | 108.5° |
| C9 | C8 | H15 | 107.9° | 108.9° |
| C9 | C8 | H16 | 107.9° | 108.9° |
| C8 | C9 | H17 | 108.0° | 109.7° |
| C8 | C9 | H18 | 108.0° | 109.6° |
| C9 | C10 | C11 | 116.5° | 112.4° |
| C9 | C10 | H19 | 107.7° | 108.9° |
| C10 | C9 | H17 | 108.0° | 109.6° |
| C10 | C9 | H18 | 108.0° | 109.6° |
| C9 | C10 | H22 | 107.7° | 108.8° |
| C10 | C11 | C5 | 117.5° | 112.4° |
| C11 | C10 | H19 | 107.7° | 108.9° |
| C10 | C11 | H21 | 107.4° | 108.9° |
| C11 | C10 | H22 | 107.7° | 108.9° |
| C10 | C11 | H23 | 107.4° | 108.9° |
| C5 | C11 | H21 | 107.4° | 108.9° |
| C11 | C5 | H10 | 106.8° | 109.7° |
| C5 | C11 | H23 | 107.4° | 108.8° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H19 | C10 | H22 | 109.5° | 108.8° |
| H21 | C11 | H23 | 109.5° | 108.9° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.4° |
| H7 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| H11 | C6 | H12 | 109.5° | 108.7° |
| H13 | C7 | H14 | 109.5° | 108.7° |
| H15 | C8 | H16 | 109.5° | 108.8° |
| H17 | C9 | H18 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H4 | 180.0° | 180.0° |
| C1 | N1 | C2 | O1 | 3.6° | 0.0° |
| C1 | N1 | C2 | C3 | 176.9° | 180.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.1° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | O1 | C3 | 179.5° | 180.0° |
| N1 | C2 | C3 | N2 | 44.1° | 180.0° |
| C2 | N1 | C1 | H1 | 180.0° | 60.0° |
| C2 | N1 | C1 | H2 | 60.0° | 180.0° |
| C2 | N1 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | C3 | H5 | 165.1° | 60.0° |
| N1 | C2 | C3 | H6 | 76.8° | 60.0° |
| O1 | C2 | C3 | N2 | 136.3° | 0.0° |
| O1 | C2 | C3 | H5 | 15.4° | 120.0° |
| O1 | C2 | C3 | H6 | 102.7° | 120.0° |
| O1 | C2 | N1 | H4 | 176.4° | 180.0° |
| C2 | C3 | N2 | H5 | 121.0° | 120.0° |
| C2 | C3 | N2 | H6 | 121.0° | 120.1° |
| C2 | C3 | N2 | C4 | 68.2° | 66.0° |
| C2 | C3 | N2 | C5 | 158.3° | 170.0° |
| C2 | C3 | H5 | H6 | 116.9° | 120.0° |
| C3 | C2 | N1 | H4 | 3.1° | 0.0° |
| C3 | N2 | C4 | C5 | 134.6° | 124.0° |
| C3 | N2 | C5 | C6 | 54.8° | 174.9° |
| C3 | N2 | C5 | C11 | 72.2° | 66.0° |
| N2 | C3 | H5 | H6 | 116.8° | 120.0° |
| C3 | N2 | C4 | H7 | 180.0° | 60.1° |
| C3 | N2 | C4 | H8 | 60.0° | 179.9° |
| C3 | N2 | C4 | H9 | 60.0° | 60.0° |
| C3 | N2 | C5 | H10 | 172.5° | 54.5° |
| C4 | N2 | C5 | C6 | 77.8° | 61.1° |
| C4 | N2 | C5 | C11 | 155.2° | 58.0° |
| C4 | N2 | C3 | H5 | 52.8° | 54.0° |
| C4 | N2 | C3 | H6 | 170.8° | 174.0° |
| N2 | C4 | H7 | H8 | 120.0° | 120.0° |
| N2 | C4 | H7 | H9 | 120.0° | 120.1° |
| N2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C4 | N2 | C5 | H10 | 39.8° | 178.5° |
| N2 | C5 | C6 | C11 | 124.6° | 119.7° |
| N2 | C5 | C6 | H10 | 117.9° | 120.5° |
| N2 | C5 | C6 | C7 | 149.6° | 146.1° |
| N2 | C5 | C11 | C10 | 167.6° | 160.3° |
| N2 | C5 | C11 | H10 | 115.8° | 120.6° |
| N2 | C5 | C11 | H21 | 46.5° | 39.6° |
| C5 | N2 | C3 | H5 | 80.7° | 70.0° |
| C5 | N2 | C3 | H6 | 37.3° | 50.0° |
| C5 | N2 | C4 | H7 | 45.4° | 63.9° |
| C5 | N2 | C4 | H8 | 165.4° | 56.1° |
| C5 | N2 | C4 | H9 | 74.6° | 176.0° |
| N2 | C5 | C6 | H11 | 29.1° | 25.3° |
| N2 | C5 | C6 | H12 | 89.9° | 93.0° |
| N2 | C5 | C11 | H23 | 71.2° | 79.0° |
| C5 | C6 | C7 | H11 | 120.5° | 120.8° |
| C5 | C6 | C7 | H12 | 120.5° | 120.8° |
| C5 | C6 | C7 | C8 | 62.6° | 41.7° |
| C6 | C5 | C11 | C10 | 65.7° | 80.0° |
| C6 | C5 | C11 | H10 | 117.5° | 119.7° |
| C6 | C5 | C11 | H21 | 173.2° | 159.3° |
| C5 | C6 | H11 | H12 | 118.4° | 118.5° |
| C5 | C6 | C7 | H13 | 58.2° | 79.2° |
| C5 | C6 | C7 | H14 | 176.6° | 162.5° |
| C6 | C5 | C11 | H23 | 55.5° | 40.7° |
| C6 | C7 | C8 | H13 | 120.8° | 120.9° |
| C6 | C7 | C8 | H14 | 120.8° | 120.8° |
| C6 | C7 | C8 | C9 | 59.7° | 41.7° |
| C7 | C6 | C5 | C11 | 85.9° | 94.1° |
| C7 | C6 | C5 | H10 | 31.6° | 25.6° |
| C7 | C6 | H11 | H12 | 118.4° | 118.5° |
| C6 | C7 | H13 | H14 | 117.4° | 118.4° |
| C6 | C7 | C8 | H15 | 179.4° | 79.1° |
| C6 | C7 | C8 | H16 | 61.2° | 162.5° |
| C7 | C8 | C9 | H15 | 120.9° | 120.8° |
| C7 | C8 | C9 | H16 | 120.9° | 120.8° |
| C7 | C8 | C9 | C10 | 83.2° | 94.1° |
| C8 | C7 | C6 | H11 | 176.9° | 162.5° |
| C8 | C7 | C6 | H12 | 57.9° | 79.1° |
| C8 | C7 | H13 | H14 | 117.5° | 118.3° |
| C7 | C8 | H15 | H16 | 117.2° | 118.5° |
| C7 | C8 | C9 | H17 | 37.6° | 25.6° |
| C7 | C8 | C9 | H18 | 155.9° | 146.2° |
| C8 | C9 | C10 | H17 | 120.9° | 119.8° |
| C8 | C9 | C10 | H18 | 120.9° | 119.7° |
| C8 | C9 | C10 | C11 | 70.8° | 80.0° |
| C8 | C9 | C10 | H19 | 168.2° | 159.2° |
| C9 | C8 | C7 | H13 | 61.2° | 162.6° |
| C9 | C8 | C7 | H14 | 179.5° | 79.1° |
| C9 | C8 | H15 | H16 | 117.2° | 118.5° |
| C8 | C9 | H17 | H18 | 117.3° | 120.5° |
| C8 | C9 | C10 | H22 | 50.2° | 40.7° |
| C9 | C10 | C11 | H19 | 121.0° | 120.8° |
| C9 | C10 | C11 | H22 | 121.0° | 120.6° |
| C9 | C10 | C11 | C5 | 4.3° | 61.9° |
| C9 | C10 | H19 | H22 | 116.8° | 118.5° |
| C9 | C10 | C11 | H21 | 116.9° | 177.3° |
| C10 | C9 | C8 | H15 | 155.9° | 26.6° |
| C10 | C9 | C8 | H16 | 37.7° | 145.1° |
| C10 | C9 | H17 | H18 | 117.4° | 120.4° |
| C9 | C10 | C11 | H23 | 125.4° | 58.7° |
| C10 | C11 | C5 | H21 | 121.1° | 120.8° |
| C10 | C11 | C5 | H23 | 121.2° | 120.7° |
| C11 | C10 | H19 | H22 | 116.8° | 118.6° |
| C10 | C11 | H21 | H23 | 116.3° | 118.6° |
| C10 | C11 | C5 | H10 | 51.9° | 39.8° |
| C11 | C10 | C9 | H17 | 50.1° | 39.8° |
| C11 | C10 | C9 | H18 | 168.4° | 160.3° |
| C5 | C11 | C10 | H19 | 125.3° | 177.3° |
| C5 | C11 | H21 | H23 | 116.4° | 118.5° |
| C11 | C5 | C6 | H11 | 153.6° | 145.1° |
| C11 | C5 | C6 | H12 | 34.7° | 26.7° |
| C5 | C11 | C10 | H22 | 116.7° | 58.7° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | N1 | H4 | 0.0° | 120.0° |
| H2 | C1 | N1 | H4 | 120.0° | 0.0° |
| H3 | C1 | N1 | H4 | 120.1° | 120.0° |
| H19 | C10 | C11 | H21 | 4.1° | 56.5° |
| H19 | C10 | C9 | H17 | 70.9° | 81.0° |
| H19 | C10 | C9 | H18 | 47.4° | 39.5° |
| H19 | C10 | C11 | H23 | 113.5° | 62.1° |
| H21 | C11 | C5 | H10 | 69.3° | 81.0° |
| H21 | C11 | C10 | H22 | 122.1° | 62.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H10 | C5 | C6 | H11 | 88.9° | 95.2° |
| H10 | C5 | C6 | H12 | 152.2° | 146.4° |
| H10 | C5 | C11 | H23 | 173.0° | 160.5° |
| H11 | C6 | C7 | H13 | 62.3° | 41.6° |
| H11 | C6 | C7 | H14 | 56.0° | 76.7° |
| H12 | C6 | C7 | H13 | 178.8° | 160.0° |
| H12 | C6 | C7 | H14 | 62.9° | 41.7° |
| H13 | C7 | C8 | H15 | 59.7° | 41.8° |
| H13 | C7 | C8 | H16 | 177.9° | 76.6° |
| H14 | C7 | C8 | H15 | 58.6° | 160.1° |
| H14 | C7 | C8 | H16 | 59.6° | 41.7° |
| H15 | C8 | C9 | H17 | 83.3° | 146.3° |
| H15 | C8 | C9 | H18 | 35.0° | 93.1° |
| H16 | C8 | C9 | H17 | 158.5° | 95.2° |
| H16 | C8 | C9 | H18 | 83.2° | 25.4° |
| H17 | C9 | C10 | H22 | 171.1° | 160.5° |
| H18 | C9 | C10 | H22 | 70.6° | 79.0° |
| H22 | C10 | C11 | H23 | 4.4° | 179.4° |
