M0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C6 | doub | 1.31Å | 1.39Å | Aromatic |
| N3 | C1 | sing | 1.33Å | 1.34Å | Aromatic |
| C | N | sing | 1.46Å | 1.50Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | N | sing | 1.39Å | 1.40Å | |
| C1 | C2 | doub | 1.39Å | 1.47Å | Aromatic |
| N | C4 | sing | 1.35Å | 1.45Å | |
| N2 | C2 | sing | 1.38Å | 1.35Å | Aromatic |
| N2 | C7 | sing | 1.46Å | 1.49Å | |
| C2 | C3 | sing | 1.41Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C4 | O1 | doub | 1.22Å | 1.29Å | |
| C4 | N1 | sing | 1.34Å | 1.45Å | |
| C3 | N1 | sing | 1.35Å | 1.46Å | |
| C3 | O | doub | 1.22Å | 1.27Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| C9 | N4 | sing | 1.47Å | 1.51Å | |
| C8 | O3 | sing | 1.43Å | 1.46Å | |
| N4 | C10 | sing | 1.47Å | 1.50Å | |
| N4 | C13 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O2 | sing | 1.43Å | 1.45Å | |
| C12 | O2 | sing | 1.43Å | 1.45Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N3 | C1 | 109.1° | 109.8° |
| N3 | C6 | N2 | 112.5° | 109.7° |
| N3 | C6 | H7 | 123.7° | 125.1° |
| N3 | C1 | N | 132.0° | 133.9° |
| N3 | C1 | C2 | 102.7° | 107.3° |
| C | N | C1 | 121.4° | 119.9° |
| C | N | C4 | 120.2° | 120.0° |
| N | C | H1 | 109.5° | 109.4° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H3 | 109.5° | 109.5° |
| C6 | N2 | C2 | 103.4° | 107.0° |
| C6 | N2 | C7 | 126.1° | 126.5° |
| N2 | C6 | H7 | 123.8° | 125.2° |
| N | C1 | C2 | 125.4° | 118.8° |
| C1 | N | C4 | 118.3° | 120.1° |
| C1 | C2 | N2 | 112.4° | 106.2° |
| C1 | C2 | C3 | 116.7° | 119.2° |
| N | C4 | O1 | 118.3° | 119.1° |
| N | C4 | N1 | 119.2° | 121.7° |
| C2 | N2 | C7 | 130.5° | 126.5° |
| N2 | C2 | C3 | 130.9° | 134.6° |
| N2 | C7 | C8 | 116.2° | 109.5° |
| N2 | C7 | H8 | 107.8° | 109.5° |
| N2 | C7 | H9 | 107.8° | 109.5° |
| C2 | C3 | N1 | 118.3° | 119.2° |
| C2 | C3 | O | 117.4° | 120.4° |
| C7 | C8 | C9 | 110.8° | 109.5° |
| C7 | C8 | O3 | 107.1° | 109.5° |
| C8 | C7 | H8 | 107.8° | 109.4° |
| C8 | C7 | H9 | 107.8° | 109.5° |
| C7 | C8 | H10 | 107.9° | 109.5° |
| O1 | C4 | N1 | 122.5° | 119.2° |
| C4 | N1 | C3 | 122.1° | 121.0° |
| C4 | N1 | C5 | 123.6° | 119.5° |
| N1 | C3 | O | 124.2° | 120.4° |
| C3 | N1 | C5 | 114.3° | 119.5° |
| N1 | C5 | H4 | 109.5° | 109.5° |
| N1 | C5 | H5 | 109.4° | 109.5° |
| N1 | C5 | H6 | 109.4° | 109.5° |
| C8 | C9 | N4 | 113.3° | 109.5° |
| C9 | C8 | O3 | 114.5° | 109.5° |
| C9 | C8 | H10 | 107.5° | 109.4° |
| C8 | C9 | H12 | 108.5° | 109.4° |
| C8 | C9 | H13 | 108.5° | 109.4° |
| C9 | N4 | C10 | 111.0° | 111.0° |
| C9 | N4 | C13 | 113.7° | 111.0° |
| N4 | C9 | H12 | 108.5° | 109.5° |
| N4 | C9 | H13 | 108.5° | 109.5° |
| O3 | C8 | H10 | 108.7° | 109.5° |
| C8 | O3 | H11 | 109.5° | 114.0° |
| C10 | N4 | C13 | 108.7° | 110.8° |
| N4 | C10 | C11 | 114.2° | 109.2° |
| N4 | C10 | H21 | 108.2° | 109.4° |
| N4 | C10 | H22 | 108.3° | 109.5° |
| N4 | C13 | C12 | 112.7° | 109.3° |
| N4 | C13 | H15 | 108.7° | 109.5° |
| N4 | C13 | H16 | 108.7° | 109.5° |
| C10 | C11 | O2 | 116.3° | 109.3° |
| C10 | C11 | H19 | 107.8° | 109.5° |
| C10 | C11 | H20 | 107.8° | 109.5° |
| C11 | C10 | H21 | 108.3° | 109.5° |
| C11 | C10 | H22 | 108.3° | 109.6° |
| C13 | C12 | O2 | 114.7° | 109.2° |
| C12 | C13 | H15 | 108.7° | 109.5° |
| C12 | C13 | H16 | 108.7° | 109.5° |
| C13 | C12 | H17 | 108.1° | 109.5° |
| C13 | C12 | H18 | 108.1° | 109.5° |
| C11 | O2 | C12 | 116.9° | 113.7° |
| O2 | C11 | H19 | 107.7° | 109.5° |
| O2 | C11 | H20 | 107.7° | 109.5° |
| O2 | C12 | H17 | 108.1° | 109.5° |
| O2 | C12 | H18 | 108.1° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.6° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C6 | N2 | H7 | 180.0° | 179.9° |
| C6 | N3 | C1 | N | 179.3° | 179.8° |
| C6 | N3 | C1 | C2 | 0.5° | 0.4° |
| N3 | C6 | N2 | C2 | 1.1° | 0.1° |
| N3 | C6 | N2 | C7 | 179.3° | 180.0° |
| N3 | C1 | N | C | 0.1° | 0.7° |
| C1 | N3 | C6 | N2 | 1.1° | 0.2° |
| N3 | C1 | N | C2 | 178.5° | 179.3° |
| N3 | C1 | N | C4 | 178.7° | 179.4° |
| N3 | C1 | C2 | N2 | 0.2° | 0.4° |
| N3 | C1 | C2 | C3 | 179.9° | 179.8° |
| C1 | N3 | C6 | H7 | 178.9° | 179.7° |
| C | N | C1 | C4 | 178.7° | 180.0° |
| C | N | C1 | C2 | 178.6° | 180.0° |
| C | N | C4 | O1 | 1.9° | 0.0° |
| C | N | C4 | N1 | 179.9° | 179.7° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| N | C | H1 | H3 | 120.0° | 120.0° |
| N | C | H2 | H3 | 120.0° | 120.1° |
| C6 | N2 | C2 | C1 | 0.8° | 0.3° |
| C6 | N2 | C2 | C7 | 179.6° | 180.0° |
| C6 | N2 | C2 | C3 | 179.3° | 179.9° |
| C6 | N2 | C7 | C8 | 80.4° | 95.0° |
| C6 | N2 | C7 | H8 | 40.6° | 25.0° |
| C6 | N2 | C7 | H9 | 158.7° | 145.0° |
| N | C1 | C2 | N2 | 178.7° | 179.9° |
| N | C1 | C2 | C3 | 1.2° | 0.3° |
| C1 | N | C4 | O1 | 179.4° | 180.0° |
| C1 | N | C4 | N1 | 1.1° | 0.2° |
| C1 | N | C | H1 | 180.0° | 180.0° |
| C1 | N | C | H2 | 60.0° | 60.0° |
| C1 | N | C | H3 | 60.0° | 60.1° |
| C2 | C1 | N | C4 | 0.1° | 0.1° |
| C1 | C2 | N2 | C3 | 179.9° | 179.8° |
| C1 | C2 | N2 | C7 | 179.6° | 179.7° |
| C1 | C2 | C3 | N1 | 1.0° | 0.2° |
| C1 | C2 | C3 | O | 176.9° | 179.8° |
| N | C4 | O1 | N1 | 178.2° | 179.8° |
| N | C4 | N1 | C3 | 1.3° | 0.3° |
| N | C4 | N1 | C5 | 178.9° | 179.7° |
| C4 | N | C | H1 | 1.3° | 0.0° |
| C4 | N | C | H2 | 118.7° | 120.0° |
| C4 | N | C | H3 | 121.3° | 120.0° |
| C2 | N2 | C7 | C8 | 99.1° | 85.0° |
| N2 | C2 | C3 | N1 | 178.9° | 180.0° |
| N2 | C2 | C3 | O | 3.2° | 0.0° |
| C2 | N2 | C6 | H7 | 178.9° | 179.9° |
| C2 | N2 | C7 | H8 | 139.9° | 155.0° |
| C2 | N2 | C7 | H9 | 21.8° | 35.0° |
| C7 | N2 | C2 | C3 | 0.3° | 0.0° |
| N2 | C7 | C8 | H8 | 121.0° | 120.1° |
| N2 | C7 | C8 | H9 | 121.0° | 120.0° |
| N2 | C7 | C8 | C9 | 166.9° | 175.0° |
| N2 | C7 | C8 | O3 | 41.3° | 65.0° |
| C7 | N2 | C6 | H7 | 0.7° | 0.1° |
| N2 | C7 | H8 | H9 | 117.0° | 120.0° |
| N2 | C7 | C8 | H10 | 75.7° | 55.0° |
| C2 | C3 | N1 | C4 | 0.2° | 0.0° |
| C2 | C3 | N1 | O | 177.8° | 180.0° |
| C2 | C3 | N1 | C5 | 180.0° | 180.0° |
| C7 | C8 | C9 | O3 | 121.4° | 120.0° |
| C7 | C8 | C9 | H10 | 117.7° | 120.0° |
| C7 | C8 | C9 | N4 | 170.5° | 177.2° |
| C7 | C8 | O3 | H10 | 116.4° | 120.0° |
| C8 | C7 | H8 | H9 | 116.9° | 119.9° |
| C7 | C8 | O3 | H11 | 180.0° | 60.0° |
| C7 | C8 | C9 | H12 | 68.9° | 62.7° |
| C7 | C8 | C9 | H13 | 49.9° | 57.2° |
| O1 | C4 | N1 | C3 | 179.4° | 180.0° |
| O1 | C4 | N1 | C5 | 0.7° | 0.0° |
| C4 | N1 | C3 | C5 | 179.9° | 180.0° |
| C4 | N1 | C3 | O | 177.9° | 180.0° |
| C4 | N1 | C5 | H4 | 180.0° | 0.0° |
| C4 | N1 | C5 | H5 | 60.0° | 120.0° |
| C4 | N1 | C5 | H6 | 60.0° | 120.0° |
| C3 | N1 | C5 | H4 | 0.1° | 180.0° |
| C3 | N1 | C5 | H5 | 119.9° | 60.0° |
| C3 | N1 | C5 | H6 | 120.1° | 60.0° |
| O | C3 | N1 | C5 | 2.2° | 0.0° |
| N1 | C5 | H4 | H5 | 120.0° | 120.0° |
| N1 | C5 | H4 | H6 | 120.0° | 120.0° |
| N1 | C5 | H5 | H6 | 119.9° | 120.0° |
| C8 | C9 | N4 | H12 | 120.6° | 120.0° |
| C8 | C9 | N4 | H13 | 120.6° | 120.0° |
| C9 | C8 | O3 | H10 | 120.2° | 120.0° |
| C8 | C9 | N4 | C10 | 151.1° | 75.7° |
| C8 | C9 | N4 | C13 | 85.9° | 160.6° |
| C9 | C8 | C7 | H8 | 45.9° | 64.9° |
| C9 | C8 | C7 | H9 | 72.1° | 55.0° |
| C9 | C8 | O3 | H11 | 56.6° | 60.0° |
| C8 | C9 | H12 | H13 | 118.2° | 119.9° |
| N4 | C9 | C8 | O3 | 68.1° | 62.7° |
| C9 | N4 | C10 | C13 | 125.7° | 123.8° |
| C9 | N4 | C10 | C11 | 167.0° | 177.7° |
| C9 | N4 | C13 | C12 | 173.1° | 177.6° |
| N4 | C9 | C8 | H10 | 52.8° | 57.2° |
| N4 | C9 | H12 | H13 | 118.3° | 120.1° |
| C9 | N4 | C13 | H15 | 52.6° | 57.7° |
| C9 | N4 | C13 | H16 | 66.4° | 62.4° |
| C9 | N4 | C10 | H21 | 46.3° | 62.5° |
| C9 | N4 | C10 | H22 | 72.3° | 57.7° |
| O3 | C8 | C7 | H8 | 79.7° | 55.1° |
| O3 | C8 | C7 | H9 | 162.3° | 175.0° |
| O3 | C8 | C9 | H12 | 52.5° | 57.3° |
| O3 | C8 | C9 | H13 | 171.3° | 177.2° |
| N4 | C10 | C11 | H21 | 120.7° | 119.8° |
| N4 | C10 | C11 | H22 | 120.7° | 119.9° |
| C10 | N4 | C13 | C12 | 62.7° | 58.6° |
| N4 | C10 | C11 | O2 | 8.9° | 56.8° |
| C10 | N4 | C9 | H12 | 88.3° | 164.3° |
| C10 | N4 | C9 | H13 | 30.6° | 44.2° |
| C10 | N4 | C13 | H15 | 176.8° | 178.5° |
| C10 | N4 | C13 | H16 | 57.8° | 61.4° |
| N4 | C10 | C11 | H19 | 112.1° | 63.1° |
| N4 | C10 | C11 | H20 | 129.8° | 176.8° |
| N4 | C10 | H21 | H22 | 117.8° | 120.1° |
| C13 | N4 | C10 | C11 | 41.3° | 58.5° |
| N4 | C13 | C12 | H15 | 120.5° | 119.9° |
| N4 | C13 | C12 | H16 | 120.5° | 119.9° |
| N4 | C13 | C12 | O2 | 32.0° | 56.9° |
| C13 | N4 | C9 | H12 | 34.6° | 40.6° |
| C13 | N4 | C9 | H13 | 153.5° | 79.5° |
| N4 | C13 | H15 | H16 | 118.5° | 120.1° |
| N4 | C13 | C12 | H17 | 88.8° | 63.1° |
| N4 | C13 | C12 | H18 | 152.7° | 176.8° |
| C13 | N4 | C10 | H21 | 79.4° | 61.3° |
| C13 | N4 | C10 | H22 | 162.0° | 178.5° |
| C10 | C11 | O2 | H19 | 121.0° | 119.9° |
| C10 | C11 | O2 | H20 | 121.0° | 120.0° |
| C10 | C11 | O2 | C12 | 41.6° | 58.7° |
| C10 | C11 | H19 | H20 | 116.9° | 120.1° |
| C11 | C10 | H21 | H22 | 117.9° | 120.2° |
| C13 | C12 | O2 | C11 | 20.7° | 58.7° |
| C13 | C12 | O2 | H17 | 120.8° | 119.9° |
| C13 | C12 | O2 | H18 | 120.7° | 119.9° |
| C12 | C13 | H15 | H16 | 118.5° | 120.1° |
| C13 | C12 | H17 | H18 | 117.6° | 120.1° |
| C11 | O2 | C12 | H17 | 141.4° | 61.3° |
| C11 | O2 | C12 | H18 | 100.1° | 178.6° |
| O2 | C11 | H19 | H20 | 116.9° | 120.1° |
| O2 | C11 | C10 | H21 | 129.5° | 63.0° |
| O2 | C11 | C10 | H22 | 111.8° | 176.7° |
| O2 | C12 | C13 | H15 | 152.5° | 176.8° |
| O2 | C12 | C13 | H16 | 88.5° | 63.1° |
| O2 | C12 | H17 | H18 | 117.6° | 120.1° |
| C12 | O2 | C11 | H19 | 79.4° | 61.3° |
| C12 | O2 | C11 | H20 | 162.6° | 178.7° |
| H1 | C | H2 | H3 | 120.0° | 119.9° |
| H4 | C5 | H5 | H6 | 120.0° | 120.0° |
| H8 | C7 | C8 | H10 | 163.3° | 175.1° |
| H9 | C7 | C8 | H10 | 45.3° | 65.0° |
| H10 | C8 | O3 | H11 | 63.6° | 180.0° |
| H10 | C8 | C9 | H12 | 173.4° | 177.2° |
| H10 | C8 | C9 | H13 | 67.8° | 62.8° |
| H15 | C13 | C12 | H17 | 31.7° | 56.9° |
| H15 | C13 | C12 | H18 | 86.8° | 63.3° |
| H16 | C13 | C12 | H17 | 150.7° | 177.0° |
| H16 | C13 | C12 | H18 | 32.2° | 56.9° |
| H19 | C11 | C10 | H21 | 8.6° | 177.0° |
| H19 | C11 | C10 | H22 | 127.2° | 56.8° |
| H20 | C11 | C10 | H21 | 109.5° | 57.0° |
| H20 | C11 | C10 | H22 | 9.1° | 63.3° |
