5NO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | N23 | sing | 1.46Å | 1.45Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | doub | 1.41Å | 1.38Å | Aromatic |
| N23 | C15 | sing | 1.36Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| O13 | C12 | doub | 1.22Å | 1.22Å | |
| C17 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| C17 | N16 | sing | 1.36Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C15 | N16 | doub | 1.30Å | 1.35Å | Aromatic |
| C12 | N11 | sing | 1.35Å | 1.42Å | |
| C12 | N04 | sing | 1.35Å | 1.42Å | |
| C14 | N11 | sing | 1.46Å | 1.44Å | |
| C03 | N04 | sing | 1.47Å | 1.44Å | |
| C03 | C01 | sing | 1.53Å | 1.52Å | |
| N11 | C06 | sing | 1.39Å | 1.44Å | |
| N04 | C05 | sing | 1.39Å | 1.44Å | |
| C06 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C07 | N08 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| O28 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C26 | 108.6° | 109.5° |
| O28 | C27 | H21 | 109.7° | 109.5° |
| O28 | C27 | H22 | 109.7° | 109.5° |
| C27 | O28 | H23 | 109.5° | 113.9° |
| C27 | C26 | C25 | 112.8° | 109.5° |
| C27 | C26 | H6 | 108.6° | 109.5° |
| C27 | C26 | H7 | 108.6° | 109.5° |
| C26 | C27 | H21 | 109.7° | 109.4° |
| C26 | C27 | H22 | 109.7° | 109.5° |
| C26 | C25 | C24 | 112.4° | 109.5° |
| C25 | C26 | H6 | 108.6° | 109.4° |
| C25 | C26 | H7 | 108.7° | 109.4° |
| C26 | C25 | H19 | 108.7° | 109.5° |
| C26 | C25 | H20 | 108.8° | 109.4° |
| C25 | C24 | N23 | 114.0° | 109.5° |
| C25 | C24 | H4 | 108.4° | 109.4° |
| C25 | C24 | H5 | 108.3° | 109.4° |
| C24 | C25 | H19 | 108.8° | 109.5° |
| C24 | C25 | H20 | 108.7° | 109.4° |
| C24 | N23 | C22 | 125.0° | 126.3° |
| C24 | N23 | C15 | 126.7° | 126.3° |
| N23 | C24 | H4 | 108.3° | 109.5° |
| N23 | C24 | H5 | 108.3° | 109.5° |
| C20 | C21 | C22 | 120.1° | 119.7° |
| C21 | C20 | C19 | 120.6° | 120.5° |
| C21 | C20 | H2 | 119.7° | 119.8° |
| C20 | C21 | H3 | 119.9° | 120.2° |
| C21 | C22 | N23 | 133.1° | 134.2° |
| C21 | C22 | C17 | 119.3° | 119.8° |
| C22 | C21 | H3 | 120.0° | 120.1° |
| C20 | C19 | C18 | 119.4° | 120.7° |
| C19 | C20 | H2 | 119.7° | 119.8° |
| C20 | C19 | H18 | 120.3° | 119.7° |
| N23 | C22 | C17 | 107.5° | 106.0° |
| C22 | N23 | C15 | 108.3° | 107.3° |
| C22 | C17 | C18 | 120.4° | 119.5° |
| C22 | C17 | N16 | 106.7° | 106.9° |
| N23 | C15 | C14 | 127.4° | 124.9° |
| N23 | C15 | N16 | 108.3° | 110.1° |
| C19 | C18 | C17 | 120.2° | 119.9° |
| C19 | C18 | H17 | 119.9° | 120.1° |
| C18 | C19 | H18 | 120.3° | 119.6° |
| C03 | C02 | C01 | 60.1° | 60.0° |
| C02 | C03 | N04 | 133.4° | 117.5° |
| C02 | C03 | C01 | 59.8° | 60.0° |
| C03 | C02 | H10 | 120.0° | 117.5° |
| C03 | C02 | H11 | 120.0° | 117.5° |
| C02 | C03 | H12 | 108.8° | 117.5° |
| C02 | C01 | C03 | 60.1° | 60.0° |
| C02 | C01 | H8 | 120.0° | 117.5° |
| C02 | C01 | H9 | 120.0° | 117.5° |
| C01 | C02 | H10 | 120.0° | 117.5° |
| C01 | C02 | H11 | 120.0° | 117.5° |
| O13 | C12 | N11 | 125.8° | 125.2° |
| O13 | C12 | N04 | 126.1° | 125.2° |
| C18 | C17 | N16 | 132.9° | 133.6° |
| C17 | C18 | H17 | 119.9° | 120.1° |
| C17 | N16 | C15 | 109.2° | 109.7° |
| C14 | C15 | N16 | 124.3° | 125.0° |
| C15 | C14 | N11 | 113.3° | 109.5° |
| C15 | C14 | H15 | 108.5° | 109.5° |
| C15 | C14 | H16 | 108.5° | 109.5° |
| N11 | C12 | N04 | 108.1° | 109.7° |
| C12 | N11 | C14 | 124.5° | 125.8° |
| C12 | N11 | C06 | 108.1° | 108.3° |
| C12 | N04 | C03 | 126.1° | 125.8° |
| C12 | N04 | C05 | 107.9° | 108.4° |
| C14 | N11 | C06 | 127.4° | 125.9° |
| N11 | C14 | H15 | 108.5° | 109.5° |
| N11 | C14 | H16 | 108.5° | 109.5° |
| N04 | C03 | C01 | 127.0° | 117.5° |
| C03 | N04 | C05 | 126.0° | 125.8° |
| N04 | C03 | H12 | 109.9° | 115.6° |
| C03 | C01 | H8 | 120.0° | 117.5° |
| C03 | C01 | H9 | 120.0° | 117.5° |
| C01 | C03 | H12 | 108.8° | 117.5° |
| N11 | C06 | C05 | 107.8° | 106.7° |
| N11 | C06 | C07 | 132.7° | 134.2° |
| N04 | C05 | C06 | 108.2° | 106.9° |
| N04 | C05 | C10 | 135.1° | 134.5° |
| C05 | C06 | C07 | 119.5° | 119.1° |
| C06 | C05 | C10 | 116.7° | 118.5° |
| C06 | C07 | N08 | 121.1° | 120.4° |
| C06 | C07 | H13 | 119.4° | 119.8° |
| C05 | C10 | C09 | 120.2° | 118.8° |
| C05 | C10 | H1 | 119.9° | 120.6° |
| C07 | N08 | C09 | 122.1° | 122.1° |
| N08 | C07 | H13 | 119.5° | 119.8° |
| C10 | C09 | N08 | 120.4° | 121.1° |
| C09 | C10 | H1 | 119.9° | 120.6° |
| C10 | C09 | H14 | 119.8° | 119.4° |
| N08 | C09 | H14 | 119.8° | 119.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 115.6° |
| H10 | C02 | H11 | 109.5° | 115.6° |
| H15 | C14 | H16 | 109.4° | 109.4° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C26 | H21 | 119.9° | 120.0° |
| O28 | C27 | C26 | H22 | 119.9° | 120.0° |
| O28 | C27 | C26 | C25 | 168.2° | 180.0° |
| O28 | C27 | C26 | H6 | 71.3° | 60.0° |
| O28 | C27 | C26 | H7 | 47.7° | 60.0° |
| O28 | C27 | H21 | H22 | 120.4° | 120.0° |
| C27 | C26 | C25 | H6 | 120.5° | 120.0° |
| C27 | C26 | C25 | H7 | 120.5° | 120.0° |
| C27 | C26 | C25 | C24 | 170.0° | 180.0° |
| C27 | C26 | H6 | H7 | 118.5° | 120.1° |
| C27 | C26 | C25 | H19 | 69.5° | 60.0° |
| C27 | C26 | C25 | H20 | 49.6° | 60.0° |
| C26 | C27 | H21 | H22 | 120.4° | 120.0° |
| C26 | C27 | O28 | H23 | 180.0° | 180.0° |
| C26 | C25 | C24 | H19 | 120.4° | 120.0° |
| C26 | C25 | C24 | H20 | 120.4° | 119.9° |
| C26 | C25 | C24 | N23 | 165.3° | 180.0° |
| C26 | C25 | C24 | H4 | 74.1° | 60.0° |
| C26 | C25 | C24 | H5 | 44.6° | 60.0° |
| C25 | C26 | H6 | H7 | 118.5° | 119.9° |
| C26 | C25 | H19 | H20 | 118.7° | 120.0° |
| C25 | C26 | C27 | H21 | 48.3° | 60.0° |
| C25 | C26 | C27 | H22 | 71.9° | 60.0° |
| C25 | C24 | N23 | H4 | 120.7° | 120.0° |
| C25 | C24 | N23 | H5 | 120.7° | 120.0° |
| C25 | C24 | N23 | C22 | 112.1° | 95.1° |
| C25 | C24 | N23 | C15 | 68.9° | 85.1° |
| C25 | C24 | H4 | H5 | 118.0° | 119.9° |
| C24 | C25 | C26 | H6 | 49.6° | 60.0° |
| C24 | C25 | C26 | H7 | 69.5° | 60.0° |
| C24 | C25 | H19 | H20 | 118.6° | 120.0° |
| C24 | N23 | C22 | C21 | 0.9° | 0.0° |
| C24 | N23 | C22 | C15 | 179.1° | 179.9° |
| C24 | N23 | C22 | C17 | 179.5° | 180.0° |
| C24 | N23 | C15 | C14 | 0.0° | 0.1° |
| C24 | N23 | C15 | N16 | 179.3° | 179.9° |
| N23 | C24 | H4 | H5 | 117.9° | 120.1° |
| N23 | C24 | C25 | H19 | 44.8° | 60.0° |
| N23 | C24 | C25 | H20 | 74.3° | 60.0° |
| C20 | C21 | C22 | H3 | 180.0° | 179.9° |
| C21 | C20 | C19 | H2 | 180.0° | 179.9° |
| C20 | C21 | C22 | N23 | 179.6° | 180.0° |
| C20 | C21 | C22 | C17 | 0.0° | 0.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.1° |
| C21 | C20 | C19 | H18 | 179.9° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C21 | C22 | N23 | C17 | 179.7° | 180.0° |
| C21 | C22 | N23 | C15 | 180.0° | 179.9° |
| C21 | C22 | C17 | C18 | 0.0° | 0.1° |
| C21 | C22 | C17 | N16 | 179.9° | 180.0° |
| C22 | C21 | C20 | H2 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C20 | C19 | C18 | H17 | 179.8° | 179.9° |
| N23 | C22 | C17 | C18 | 179.7° | 179.9° |
| N23 | C22 | C17 | N16 | 0.3° | 0.1° |
| C22 | N23 | C15 | C14 | 179.1° | 180.0° |
| C22 | N23 | C15 | N16 | 0.2° | 0.2° |
| N23 | C22 | C21 | H3 | 0.4° | 0.1° |
| C22 | N23 | C24 | H4 | 127.2° | 144.9° |
| C22 | N23 | C24 | H5 | 8.5° | 24.9° |
| C17 | C22 | N23 | C15 | 0.3° | 0.2° |
| C22 | C17 | C18 | C19 | 0.1° | 0.1° |
| C22 | C17 | C18 | N16 | 179.9° | 179.9° |
| C22 | C17 | N16 | C15 | 0.2° | 0.1° |
| C17 | C22 | C21 | H3 | 179.9° | 179.9° |
| C22 | C17 | C18 | H17 | 179.8° | 180.0° |
| N23 | C15 | N16 | C17 | 0.0° | 0.2° |
| N23 | C15 | C14 | N16 | 179.1° | 179.7° |
| N23 | C15 | C14 | N11 | 84.8° | 97.2° |
| C15 | N23 | C24 | H4 | 51.8° | 34.9° |
| C15 | N23 | C24 | H5 | 170.4° | 155.0° |
| N23 | C15 | C14 | H15 | 35.8° | 22.8° |
| N23 | C15 | C14 | H16 | 154.6° | 142.8° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | N16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H2 | 179.9° | 180.0° |
| C03 | C02 | C01 | H10 | 109.5° | 107.5° |
| C03 | C02 | C01 | H11 | 109.5° | 107.5° |
| C02 | C03 | N04 | C12 | 30.8° | 60.0° |
| C02 | C03 | N04 | C01 | 81.1° | 68.6° |
| C02 | C03 | N04 | H12 | 144.4° | 145.6° |
| C02 | C03 | C01 | H12 | 101.3° | 107.4° |
| C02 | C03 | N04 | C05 | 149.3° | 119.9° |
| C03 | C02 | C01 | H8 | 109.5° | 107.5° |
| C03 | C02 | C01 | H9 | 109.5° | 107.4° |
| C03 | C02 | H10 | H11 | 144.6° | 145.8° |
| C02 | C01 | H8 | H9 | 144.6° | 145.8° |
| C01 | C02 | H10 | H11 | 144.7° | 145.6° |
| O13 | C12 | N11 | N04 | 179.8° | 180.0° |
| O13 | C12 | N11 | C14 | 0.4° | 0.0° |
| O13 | C12 | N04 | C03 | 0.1° | 0.1° |
| O13 | C12 | N11 | C06 | 179.8° | 180.0° |
| O13 | C12 | N04 | C05 | 179.9° | 180.0° |
| C18 | C17 | N16 | C15 | 179.8° | 180.0° |
| C17 | C18 | C19 | H18 | 179.8° | 179.8° |
| C17 | N16 | C15 | C14 | 179.3° | 180.0° |
| N16 | C17 | C18 | H17 | 0.1° | 0.0° |
| C15 | C14 | N11 | C12 | 133.2° | 83.6° |
| C15 | C14 | N11 | H15 | 120.6° | 120.0° |
| C15 | C14 | N11 | H16 | 120.6° | 120.0° |
| C15 | C14 | N11 | C06 | 47.5° | 96.4° |
| C15 | C14 | H15 | H16 | 118.2° | 120.0° |
| N16 | C15 | C14 | N11 | 96.0° | 83.1° |
| N16 | C15 | C14 | H15 | 143.4° | 156.9° |
| N16 | C15 | C14 | H16 | 24.5° | 36.9° |
| C12 | N11 | C14 | C06 | 179.3° | 180.0° |
| N11 | C12 | N04 | C03 | 179.8° | 179.9° |
| N11 | C12 | N04 | C05 | 0.3° | 0.0° |
| C12 | N11 | C06 | C05 | 0.3° | 0.1° |
| C12 | N11 | C06 | C07 | 179.8° | 180.0° |
| C12 | N11 | C14 | H15 | 12.7° | 156.4° |
| C12 | N11 | C14 | H16 | 106.2° | 36.4° |
| N04 | C12 | N11 | C14 | 179.7° | 180.0° |
| C12 | N04 | C03 | C05 | 179.9° | 179.9° |
| C12 | N04 | C03 | C01 | 50.3° | 8.6° |
| N04 | C12 | N11 | C06 | 0.4° | 0.0° |
| C12 | N04 | C05 | C06 | 0.1° | 0.0° |
| C12 | N04 | C05 | C10 | 179.9° | 180.0° |
| C12 | N04 | C03 | H12 | 175.2° | 154.4° |
| C14 | N11 | C06 | C05 | 179.7° | 180.0° |
| C14 | N11 | C06 | C07 | 0.5° | 0.0° |
| N11 | C14 | H15 | H16 | 118.3° | 120.0° |
| N04 | C03 | C01 | H12 | 134.9° | 145.1° |
| C03 | N04 | C05 | C06 | 180.0° | 180.0° |
| C03 | N04 | C05 | C10 | 0.0° | 0.1° |
| N04 | C03 | C01 | H8 | 126.7° | 145.0° |
| N04 | C03 | C01 | H9 | 14.3° | 0.1° |
| N04 | C03 | C02 | H10 | 136.4° | 0.1° |
| N04 | C03 | C02 | H11 | 4.6° | 145.0° |
| C01 | C03 | N04 | C05 | 129.7° | 171.4° |
| C03 | C01 | H8 | H9 | 144.7° | 145.6° |
| N11 | C06 | C05 | N04 | 0.1° | 0.0° |
| N11 | C06 | C05 | C07 | 179.9° | 180.0° |
| N11 | C06 | C05 | C10 | 179.9° | 180.0° |
| N11 | C06 | C07 | N08 | 179.8° | 180.0° |
| N11 | C06 | C07 | H13 | 0.2° | 0.0° |
| C06 | N11 | C14 | H15 | 168.1° | 23.7° |
| C06 | N11 | C14 | H16 | 73.1° | 143.6° |
| N04 | C05 | C06 | C10 | 180.0° | 180.0° |
| N04 | C05 | C06 | C07 | 180.0° | 180.0° |
| N04 | C05 | C10 | C09 | 179.9° | 180.0° |
| N04 | C05 | C10 | H1 | 0.1° | 0.3° |
| C05 | N04 | C03 | H12 | 4.9° | 25.7° |
| C05 | C06 | C07 | N08 | 0.1° | 0.1° |
| C06 | C05 | C10 | C09 | 0.0° | 0.0° |
| C06 | C05 | C10 | H1 | 180.0° | 179.8° |
| C05 | C06 | C07 | H13 | 179.9° | 180.0° |
| C07 | C06 | C05 | C10 | 0.0° | 0.0° |
| C06 | C07 | N08 | H13 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 0.0° | 0.1° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C05 | C10 | C09 | N08 | 0.1° | 0.1° |
| C05 | C10 | C09 | H14 | 179.9° | 179.7° |
| C07 | N08 | C09 | C10 | 0.0° | 0.1° |
| C07 | N08 | C09 | H14 | 179.9° | 179.6° |
| C10 | C09 | N08 | H14 | 180.0° | 179.8° |
| N08 | C09 | C10 | H1 | 179.9° | 179.8° |
| C09 | N08 | C07 | H13 | 180.0° | 179.9° |
| H1 | C10 | C09 | H14 | 0.1° | 0.0° |
| H2 | C20 | C21 | H3 | 0.0° | 0.1° |
| H2 | C20 | C19 | H18 | 0.1° | 0.1° |
| H4 | C24 | C25 | H19 | 165.5° | 180.0° |
| H4 | C24 | C25 | H20 | 46.4° | 60.0° |
| H5 | C24 | C25 | H19 | 75.9° | 60.0° |
| H5 | C24 | C25 | H20 | 165.0° | 179.9° |
| H6 | C26 | C25 | H19 | 170.0° | 179.9° |
| H6 | C26 | C25 | H20 | 70.9° | 60.0° |
| H6 | C26 | C27 | H21 | 168.8° | 180.0° |
| H6 | C26 | C27 | H22 | 48.6° | 60.0° |
| H7 | C26 | C25 | H19 | 51.0° | 60.0° |
| H7 | C26 | C25 | H20 | 170.1° | 179.9° |
| H7 | C26 | C27 | H21 | 72.2° | 60.0° |
| H7 | C26 | C27 | H22 | 167.6° | 180.0° |
| H8 | C01 | C02 | H10 | 0.0° | 145.0° |
| H8 | C01 | C02 | H11 | 141.0° | 0.1° |
| H8 | C01 | C03 | H12 | 8.2° | 0.1° |
| H9 | C01 | C02 | H10 | 141.0° | 0.1° |
| H9 | C01 | C02 | H11 | 0.0° | 145.0° |
| H9 | C01 | C03 | H12 | 149.3° | 145.0° |
| H10 | C02 | C03 | H12 | 8.2° | 145.0° |
| H11 | C02 | C03 | H12 | 149.2° | 0.1° |
| H17 | C18 | C19 | H18 | 0.2° | 0.1° |
| H21 | C27 | O28 | H23 | 60.1° | 60.0° |
| H22 | C27 | O28 | H23 | 60.1° | 60.0° |
