N3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O1 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C10 | sing | 1.50Å | 1.51Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C12 | sing | 1.36Å | 1.37Å | |
| N | C20 | sing | 1.46Å | 1.46Å | |
| N | C21 | sing | 1.35Å | 1.34Å | |
| C20 | C5 | sing | 1.50Å | 1.51Å | |
| C21 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.49Å | |
| C9 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.38Å | |
| O2 | C15 | sing | 1.43Å | 1.42Å | |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C3 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C17 | sing | 1.43Å | 1.43Å | |
| O | C2 | sing | 1.43Å | 1.45Å | |
| C8 | C1 | sing | 1.48Å | 1.44Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C | doub | 1.33Å | 1.32Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.08Å | 1.08Å | |
| C | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O1 | C12 | 117.8° | 117.0° |
| O1 | C13 | H12 | 109.5° | 109.5° |
| O1 | C13 | H13 | 109.5° | 109.4° |
| O1 | C13 | H14 | 109.4° | 109.4° |
| C18 | C19 | C20 | 112.3° | 110.9° |
| C19 | C18 | C10 | 114.0° | 111.2° |
| C18 | C19 | H1 | 108.8° | 109.2° |
| C18 | C19 | H2 | 108.7° | 109.2° |
| C19 | C18 | H22 | 108.3° | 109.1° |
| C19 | C18 | H23 | 108.3° | 109.1° |
| C19 | C20 | N | 111.1° | 109.2° |
| C19 | C20 | C5 | 113.2° | 111.2° |
| C20 | C19 | H1 | 108.8° | 109.2° |
| C20 | C19 | H2 | 108.8° | 109.1° |
| C19 | C20 | H21 | 106.1° | 109.1° |
| C18 | C10 | C11 | 119.7° | 120.7° |
| C18 | C10 | C9 | 119.8° | 119.3° |
| C10 | C18 | H22 | 108.3° | 109.2° |
| C10 | C18 | H23 | 108.3° | 109.2° |
| C22 | C21 | N | 115.8° | 120.0° |
| C22 | C21 | O4 | 122.0° | 120.0° |
| C21 | C22 | H6 | 109.5° | 109.5° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C10 | C11 | H15 | 119.7° | 120.0° |
| C11 | C12 | O1 | 124.7° | 119.8° |
| C11 | C12 | C14 | 119.9° | 120.4° |
| C12 | C11 | H15 | 119.7° | 119.9° |
| O1 | C12 | C14 | 115.3° | 119.8° |
| C20 | N | C21 | 122.4° | 120.0° |
| N | C20 | C5 | 112.7° | 109.2° |
| C20 | N | H20 | 118.8° | 120.0° |
| N | C20 | H21 | 106.9° | 109.1° |
| N | C21 | O4 | 122.1° | 120.0° |
| C21 | N | H20 | 118.8° | 120.0° |
| C20 | C5 | C4 | 122.6° | 120.6° |
| C20 | C5 | C6 | 117.2° | 119.3° |
| C5 | C20 | H21 | 106.2° | 109.1° |
| C10 | C9 | C6 | 120.5° | 118.8° |
| C10 | C9 | C16 | 118.6° | 120.2° |
| C12 | C14 | C16 | 119.8° | 119.9° |
| C12 | C14 | O2 | 119.8° | 120.1° |
| C6 | C9 | C16 | 120.9° | 121.0° |
| C9 | C6 | C5 | 120.2° | 118.8° |
| C9 | C6 | C7 | 120.2° | 121.1° |
| C9 | C16 | C14 | 120.6° | 119.6° |
| C9 | C16 | O3 | 119.2° | 120.2° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C5 | C4 | C3 | 118.8° | 120.5° |
| C5 | C4 | H18 | 120.6° | 119.8° |
| C5 | C6 | C7 | 119.5° | 120.2° |
| C16 | C14 | O2 | 120.4° | 120.1° |
| C14 | C16 | O3 | 120.2° | 120.2° |
| C14 | O2 | C15 | 115.5° | 117.0° |
| C4 | C3 | O | 125.2° | 129.6° |
| C4 | C3 | C8 | 121.8° | 119.2° |
| C3 | C4 | H18 | 120.6° | 119.8° |
| C6 | C7 | C8 | 120.3° | 119.5° |
| C6 | C7 | H19 | 119.9° | 120.3° |
| C16 | O3 | C17 | 116.6° | 117.0° |
| O2 | C15 | H9 | 109.5° | 109.5° |
| O2 | C15 | H10 | 109.5° | 109.4° |
| O2 | C15 | H11 | 109.5° | 109.5° |
| O | C3 | C8 | 113.0° | 111.1° |
| C3 | O | C2 | 107.4° | 110.8° |
| C3 | C8 | C7 | 119.3° | 120.5° |
| C3 | C8 | C1 | 106.3° | 107.9° |
| C7 | C8 | C1 | 133.8° | 131.6° |
| C8 | C7 | H19 | 119.8° | 120.2° |
| O3 | C17 | H3 | 109.5° | 109.4° |
| O3 | C17 | H4 | 109.5° | 109.5° |
| O3 | C17 | H5 | 109.5° | 109.4° |
| O | C2 | C1 | 105.2° | 105.8° |
| O | C2 | H16 | 110.5° | 110.1° |
| O | C2 | H17 | 110.5° | 110.2° |
| C8 | C1 | C2 | 106.3° | 104.4° |
| C8 | C1 | C | 127.7° | 127.8° |
| C2 | C1 | C | 125.9° | 127.8° |
| C1 | C2 | H16 | 110.5° | 110.2° |
| C1 | C2 | H17 | 110.5° | 110.2° |
| C1 | C | H24 | 120.0° | 120.0° |
| C1 | C | H25 | 120.0° | 120.0° |
| H1 | C19 | H2 | 109.5° | 109.2° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.4° | 109.4° |
| H6 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H14 | 109.4° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 110.2° |
| H22 | C18 | H23 | 109.5° | 109.1° |
| H24 | C | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | O1 | C12 | C11 | 4.4° | 0.0° |
| C13 | O1 | C12 | C14 | 177.2° | 180.0° |
| O1 | C13 | H12 | H13 | 120.0° | 120.0° |
| O1 | C13 | H12 | H14 | 120.0° | 120.0° |
| O1 | C13 | H13 | H14 | 120.0° | 119.9° |
| C18 | C19 | C20 | H1 | 120.4° | 120.4° |
| C18 | C19 | C20 | H2 | 120.4° | 120.4° |
| C19 | C18 | C10 | H22 | 120.7° | 120.4° |
| C19 | C18 | C10 | H23 | 120.7° | 120.5° |
| C19 | C18 | C10 | C11 | 109.8° | 104.1° |
| C18 | C19 | C20 | N | 172.7° | 164.9° |
| C18 | C19 | C20 | C5 | 44.7° | 44.4° |
| C19 | C18 | C10 | C9 | 68.1° | 77.4° |
| C18 | C19 | H1 | H2 | 118.7° | 119.4° |
| C18 | C19 | C20 | H21 | 71.4° | 76.0° |
| C19 | C18 | H22 | H23 | 117.9° | 119.1° |
| C20 | C19 | C18 | C10 | 42.6° | 44.4° |
| C19 | C20 | N | C5 | 128.3° | 121.7° |
| C19 | C20 | N | H21 | 115.4° | 119.1° |
| C19 | C20 | N | C21 | 139.9° | 152.9° |
| C19 | C20 | C5 | H21 | 116.0° | 120.3° |
| C19 | C20 | C5 | C4 | 104.5° | 104.2° |
| C19 | C20 | C5 | C6 | 77.2° | 77.3° |
| C20 | C19 | H1 | H2 | 118.8° | 119.2° |
| C19 | C20 | N | H20 | 40.2° | 27.1° |
| C20 | C19 | C18 | H22 | 163.3° | 164.9° |
| C20 | C19 | C18 | H23 | 78.1° | 76.1° |
| C18 | C10 | C11 | C9 | 177.9° | 178.5° |
| C18 | C10 | C11 | C12 | 178.6° | 177.5° |
| C18 | C10 | C9 | C6 | 4.6° | 3.0° |
| C18 | C10 | C9 | C16 | 175.9° | 177.1° |
| C10 | C18 | C19 | H1 | 163.0° | 76.0° |
| C10 | C18 | C19 | H2 | 77.8° | 164.7° |
| C18 | C10 | C11 | H15 | 1.4° | 2.5° |
| C10 | C18 | H22 | H23 | 117.9° | 119.2° |
| C22 | C21 | N | C20 | 165.0° | 180.0° |
| C22 | C21 | N | O4 | 177.6° | 180.0° |
| C21 | C22 | H6 | H7 | 120.0° | 120.0° |
| C21 | C22 | H6 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.0° |
| C22 | C21 | N | H20 | 15.1° | 0.0° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C10 | C11 | C12 | O1 | 176.2° | 179.9° |
| C10 | C11 | C12 | C14 | 2.2° | 0.1° |
| C11 | C10 | C9 | C6 | 177.5° | 178.4° |
| C11 | C10 | C9 | C16 | 2.0° | 1.4° |
| C11 | C10 | C18 | H22 | 10.9° | 16.3° |
| C11 | C10 | C18 | H23 | 129.5° | 135.4° |
| C11 | C12 | O1 | C14 | 178.4° | 180.0° |
| C12 | C11 | C10 | C9 | 0.6° | 1.0° |
| C11 | C12 | C14 | C16 | 1.1° | 0.4° |
| C11 | C12 | C14 | O2 | 178.1° | 179.5° |
| O1 | C12 | C14 | C16 | 177.4° | 179.6° |
| O1 | C12 | C14 | O2 | 3.4° | 0.5° |
| C12 | O1 | C13 | H12 | 180.0° | 60.0° |
| C12 | O1 | C13 | H13 | 60.0° | 60.0° |
| C12 | O1 | C13 | H14 | 60.0° | 180.0° |
| O1 | C12 | C11 | H15 | 3.8° | 0.1° |
| C20 | N | C21 | H20 | 180.0° | 180.0° |
| N | C20 | C5 | H21 | 116.8° | 119.2° |
| C20 | N | C21 | O4 | 12.7° | 0.0° |
| N | C20 | C5 | C4 | 22.7° | 16.3° |
| N | C20 | C5 | C6 | 155.6° | 162.2° |
| N | C20 | C19 | H1 | 52.3° | 74.8° |
| N | C20 | C19 | H2 | 66.9° | 44.5° |
| C21 | N | C20 | C5 | 91.9° | 85.4° |
| N | C21 | C22 | H6 | 177.7° | 90.0° |
| N | C21 | C22 | H7 | 62.4° | 30.0° |
| N | C21 | C22 | H8 | 57.7° | 150.0° |
| C21 | N | C20 | H21 | 24.5° | 33.8° |
| C20 | C5 | C6 | C9 | 5.1° | 3.1° |
| C20 | C5 | C4 | C6 | 178.2° | 178.4° |
| C20 | C5 | C4 | C3 | 176.8° | 177.5° |
| C20 | C5 | C6 | C7 | 176.1° | 177.1° |
| C5 | C20 | C19 | H1 | 75.7° | 164.7° |
| C5 | C20 | C19 | H2 | 165.1° | 76.0° |
| C20 | C5 | C4 | H18 | 3.2° | 2.6° |
| C5 | C20 | N | H20 | 88.1° | 94.6° |
| O4 | C21 | C22 | H6 | 0.0° | 90.0° |
| O4 | C21 | C22 | H7 | 120.0° | 150.0° |
| O4 | C21 | C22 | H8 | 120.0° | 30.0° |
| O4 | C21 | N | H20 | 167.3° | 180.0° |
| C10 | C9 | C6 | C16 | 179.4° | 179.9° |
| C10 | C9 | C6 | C5 | 50.3° | 48.6° |
| C10 | C9 | C16 | C14 | 3.1° | 0.9° |
| C10 | C9 | C6 | C7 | 128.4° | 131.1° |
| C10 | C9 | C16 | O3 | 175.8° | 179.2° |
| C9 | C10 | C11 | H15 | 179.3° | 179.0° |
| C9 | C10 | C18 | H22 | 171.2° | 162.2° |
| C9 | C10 | C18 | H23 | 52.5° | 43.1° |
| C12 | C14 | C16 | C9 | 1.6° | 0.1° |
| C12 | C14 | C16 | O2 | 179.2° | 179.9° |
| C12 | C14 | C16 | O3 | 177.3° | 179.9° |
| C12 | C14 | O2 | C15 | 92.3° | 89.9° |
| C14 | C12 | C11 | H15 | 177.8° | 179.9° |
| C9 | C6 | C5 | C4 | 176.6° | 178.5° |
| C9 | C6 | C5 | C7 | 178.8° | 179.8° |
| C6 | C9 | C16 | C14 | 176.4° | 179.0° |
| C6 | C9 | C16 | O3 | 4.7° | 1.0° |
| C9 | C6 | C7 | C8 | 177.8° | 179.1° |
| C9 | C6 | C7 | H19 | 2.2° | 0.8° |
| C16 | C9 | C6 | C5 | 130.2° | 131.2° |
| C9 | C16 | C14 | O3 | 178.9° | 180.0° |
| C9 | C16 | C14 | O2 | 179.2° | 179.9° |
| C16 | C9 | C6 | C7 | 51.0° | 49.0° |
| C9 | C16 | O3 | C17 | 95.3° | 90.0° |
| C5 | C4 | C3 | H18 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 2.2° | 1.3° |
| C5 | C4 | C3 | O | 177.9° | 179.8° |
| C5 | C4 | C3 | C8 | 0.7° | 0.0° |
| C4 | C5 | C20 | H21 | 139.5° | 135.4° |
| C6 | C5 | C4 | C3 | 1.4° | 1.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.7° |
| C6 | C5 | C4 | H18 | 178.6° | 179.0° |
| C5 | C6 | C7 | H19 | 179.1° | 179.4° |
| C6 | C5 | C20 | H21 | 38.8° | 43.0° |
| C16 | C14 | O2 | C15 | 88.5° | 90.0° |
| C14 | C16 | O3 | C17 | 83.7° | 90.0° |
| O2 | C14 | C16 | O3 | 1.9° | 0.2° |
| C14 | O2 | C15 | H9 | 180.0° | 60.0° |
| C14 | O2 | C15 | H10 | 60.0° | 60.1° |
| C14 | O2 | C15 | H11 | 60.0° | 180.0° |
| C4 | C3 | O | C8 | 178.7° | 179.8° |
| C4 | C3 | C8 | C7 | 1.9° | 0.7° |
| C4 | C3 | O | C2 | 178.6° | 179.4° |
| C4 | C3 | C8 | C1 | 170.7° | 179.5° |
| C6 | C7 | C8 | C3 | 1.1° | 0.3° |
| C6 | C7 | C8 | H19 | 180.0° | 179.9° |
| C6 | C7 | C8 | C1 | 169.1° | 179.9° |
| C16 | O3 | C17 | H3 | 180.0° | 180.0° |
| C16 | O3 | C17 | H4 | 60.0° | 60.0° |
| C16 | O3 | C17 | H5 | 60.0° | 60.0° |
| O2 | C15 | H9 | H10 | 120.0° | 120.0° |
| O2 | C15 | H9 | H11 | 120.0° | 120.0° |
| O2 | C15 | H10 | H11 | 120.0° | 120.0° |
| O | C3 | C8 | C7 | 176.8° | 179.5° |
| O | C3 | C8 | C1 | 10.5° | 0.3° |
| C3 | O | C2 | C1 | 5.8° | 0.2° |
| C3 | O | C2 | H16 | 113.5° | 118.9° |
| C3 | O | C2 | H17 | 125.1° | 119.3° |
| O | C3 | C4 | H18 | 2.1° | 0.3° |
| C3 | C8 | C7 | C1 | 170.2° | 179.8° |
| C8 | C3 | O | C2 | 2.8° | 0.3° |
| C3 | C8 | C1 | C2 | 13.5° | 0.1° |
| C3 | C8 | C1 | C | 163.4° | 179.9° |
| C8 | C3 | C4 | H18 | 179.4° | 180.0° |
| C3 | C8 | C7 | H19 | 178.9° | 179.6° |
| C7 | C8 | C1 | C2 | 175.3° | 179.7° |
| C7 | C8 | C1 | C | 7.7° | 0.3° |
| O3 | C17 | H3 | H4 | 120.0° | 120.0° |
| O3 | C17 | H3 | H5 | 120.0° | 119.9° |
| O3 | C17 | H4 | H5 | 120.0° | 120.0° |
| O | C2 | C1 | C8 | 11.9° | 0.0° |
| O | C2 | C1 | H16 | 119.3° | 119.0° |
| O | C2 | C1 | H17 | 119.3° | 119.1° |
| O | C2 | C1 | C | 165.1° | 180.0° |
| O | C2 | H16 | H17 | 122.0° | 121.8° |
| C8 | C1 | C2 | C | 177.0° | 180.0° |
| C8 | C1 | C2 | H16 | 107.4° | 119.0° |
| C8 | C1 | C2 | H17 | 131.3° | 119.1° |
| C1 | C8 | C7 | H19 | 10.9° | 0.2° |
| C8 | C1 | C | H24 | 176.4° | 0.0° |
| C8 | C1 | C | H25 | 3.6° | 180.0° |
| C1 | C2 | H16 | H17 | 122.0° | 121.8° |
| C2 | C1 | C | H24 | 0.0° | 180.0° |
| C2 | C1 | C | H25 | 180.0° | 0.0° |
| C | C1 | C2 | H16 | 75.6° | 61.0° |
| C | C1 | C2 | H17 | 45.7° | 60.9° |
| C1 | C | H24 | H25 | 180.0° | 180.0° |
| H1 | C19 | C20 | H21 | 168.2° | 44.4° |
| H1 | C19 | C18 | H22 | 76.3° | 44.5° |
| H1 | C19 | C18 | H23 | 42.3° | 163.5° |
| H2 | C19 | C20 | H21 | 49.0° | 163.7° |
| H2 | C19 | C18 | H22 | 42.9° | 74.9° |
| H2 | C19 | C18 | H23 | 161.5° | 44.2° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H20 | N | C20 | H21 | 155.5° | 146.3° |
