0SV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N19 | sing | 1.46Å | 1.48Å | |
| N19 | C18 | sing | 1.35Å | 1.40Å | |
| O20 | C18 | doub | 1.22Å | 1.20Å | |
| C18 | N17 | sing | 1.35Å | 1.40Å | |
| N17 | C1 | sing | 1.39Å | 1.43Å | |
| C11 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | N5 | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.40Å | 1.47Å | |
| N5 | N4 | sing | 1.40Å | 1.25Å | Aromatic |
| C14 | C12 | sing | 1.53Å | 1.55Å | |
| C6 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C16 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C3 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C10 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N19 | H1 | sing | 0.97Å | 1.00Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| O26 | H12 | sing | 0.97Å | 0.95Å | |
| N17 | H13 | sing | 0.97Å | 1.00Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.08Å | 1.08Å | |
| C10 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C25 | C24 | 108.5° | 109.5° |
| O26 | C25 | H10 | 109.7° | 109.5° |
| O26 | C25 | H11 | 109.7° | 109.5° |
| C25 | O26 | H12 | 109.5° | 114.0° |
| C25 | C24 | C23 | 109.5° | 109.5° |
| C25 | C24 | H8 | 109.5° | 109.5° |
| C25 | C24 | H9 | 109.5° | 109.5° |
| C24 | C25 | H10 | 109.7° | 109.5° |
| C24 | C25 | H11 | 109.7° | 109.5° |
| C24 | C23 | C22 | 111.7° | 109.5° |
| C24 | C23 | H6 | 108.9° | 109.5° |
| C24 | C23 | H7 | 108.9° | 109.5° |
| C23 | C24 | H8 | 109.4° | 109.5° |
| C23 | C24 | H9 | 109.5° | 109.5° |
| C23 | C22 | C21 | 107.4° | 109.5° |
| C23 | C22 | H4 | 110.0° | 109.5° |
| C23 | C22 | H5 | 110.0° | 109.5° |
| C22 | C23 | H6 | 108.9° | 109.5° |
| C22 | C23 | H7 | 108.9° | 109.5° |
| C22 | C21 | N19 | 117.7° | 109.5° |
| C22 | C21 | H2 | 107.3° | 109.4° |
| C22 | C21 | H3 | 107.4° | 109.5° |
| C21 | C22 | H4 | 110.0° | 109.5° |
| C21 | C22 | H5 | 110.0° | 109.5° |
| C21 | N19 | C18 | 125.0° | 120.0° |
| C21 | N19 | H1 | 117.5° | 120.0° |
| N19 | C21 | H2 | 107.4° | 109.4° |
| N19 | C21 | H3 | 107.4° | 109.5° |
| N19 | C18 | O20 | 120.3° | 120.0° |
| N19 | C18 | N17 | 118.3° | 120.0° |
| C18 | N19 | H1 | 117.5° | 120.0° |
| O20 | C18 | N17 | 121.3° | 120.0° |
| C18 | N17 | C1 | 126.9° | 120.0° |
| C18 | N17 | H13 | 116.6° | 119.9° |
| N17 | C1 | C2 | 128.4° | 126.2° |
| N17 | C1 | N5 | 124.9° | 126.3° |
| C1 | N17 | H13 | 116.6° | 120.0° |
| C9 | C11 | C6 | 120.8° | 119.9° |
| C11 | C9 | C7 | 119.7° | 120.1° |
| C9 | C11 | H24 | 119.6° | 120.1° |
| C11 | C9 | H25 | 120.2° | 120.0° |
| C11 | C6 | N5 | 119.4° | 120.0° |
| C11 | C6 | C10 | 119.7° | 119.9° |
| C6 | C11 | H24 | 119.6° | 120.0° |
| C9 | C7 | C16 | 118.5° | 119.9° |
| C9 | C7 | C8 | 119.9° | 120.2° |
| C7 | C9 | H25 | 120.2° | 120.0° |
| C2 | C1 | N5 | 106.5° | 107.5° |
| C1 | C2 | C3 | 104.4° | 107.9° |
| C1 | C2 | H23 | 127.8° | 126.1° |
| C1 | N5 | C6 | 128.2° | 126.1° |
| C1 | N5 | N4 | 111.5° | 107.8° |
| C2 | C3 | N4 | 108.3° | 108.5° |
| C2 | C3 | C12 | 126.1° | 125.8° |
| C3 | C2 | H23 | 127.8° | 126.1° |
| C6 | N5 | N4 | 120.3° | 126.1° |
| N5 | C6 | C10 | 120.8° | 120.1° |
| N5 | N4 | C3 | 109.4° | 108.4° |
| C14 | C12 | C3 | 108.7° | 109.5° |
| C14 | C12 | C15 | 109.6° | 109.5° |
| C14 | C12 | C13 | 110.8° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C6 | C10 | C8 | 119.5° | 119.9° |
| C6 | C10 | H30 | 120.3° | 120.0° |
| C16 | C7 | C8 | 121.6° | 119.9° |
| C7 | C16 | H26 | 109.5° | 109.5° |
| C7 | C16 | H27 | 109.4° | 109.4° |
| C7 | C16 | H28 | 109.5° | 109.4° |
| C7 | C8 | C10 | 120.4° | 120.1° |
| C7 | C8 | H29 | 119.8° | 120.0° |
| N4 | C3 | C12 | 125.6° | 125.8° |
| C3 | C12 | C15 | 107.7° | 109.5° |
| C3 | C12 | C13 | 111.3° | 109.5° |
| C15 | C12 | C13 | 108.7° | 109.5° |
| C12 | C15 | H14 | 109.5° | 109.4° |
| C12 | C15 | H15 | 109.5° | 109.5° |
| C12 | C15 | H16 | 109.5° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.4° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C10 | C8 | H29 | 119.8° | 119.9° |
| C8 | C10 | H30 | 120.3° | 120.1° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.4° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.5° | 109.4° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H26 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C25 | C24 | H10 | 119.9° | 120.0° |
| O26 | C25 | C24 | H11 | 119.8° | 120.0° |
| O26 | C25 | C24 | C23 | 155.8° | 180.0° |
| O26 | C25 | C24 | H8 | 84.2° | 60.0° |
| O26 | C25 | C24 | H9 | 35.8° | 60.0° |
| O26 | C25 | H10 | H11 | 120.4° | 120.0° |
| C25 | C24 | C23 | H8 | 120.0° | 120.0° |
| C25 | C24 | C23 | H9 | 120.0° | 120.0° |
| C25 | C24 | C23 | C22 | 156.6° | 180.0° |
| C25 | C24 | C23 | H6 | 83.0° | 60.0° |
| C25 | C24 | C23 | H7 | 36.3° | 60.0° |
| C25 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | C25 | H10 | H11 | 120.4° | 120.0° |
| C24 | C25 | O26 | H12 | 180.0° | 179.9° |
| C24 | C23 | C22 | H6 | 120.3° | 120.0° |
| C24 | C23 | C22 | H7 | 120.4° | 120.0° |
| C24 | C23 | C22 | C21 | 154.7° | 180.0° |
| C24 | C23 | C22 | H4 | 35.0° | 60.0° |
| C24 | C23 | C22 | H5 | 85.6° | 60.0° |
| C24 | C23 | H6 | H7 | 119.0° | 120.0° |
| C23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C23 | C24 | C25 | H10 | 35.9° | 60.0° |
| C23 | C24 | C25 | H11 | 84.4° | 60.0° |
| C23 | C22 | C21 | H4 | 119.7° | 120.0° |
| C23 | C22 | C21 | H5 | 119.7° | 120.0° |
| C23 | C22 | C21 | N19 | 168.3° | 180.0° |
| C23 | C22 | C21 | H2 | 47.1° | 60.0° |
| C23 | C22 | C21 | H3 | 70.5° | 60.0° |
| C23 | C22 | H4 | H5 | 121.0° | 120.0° |
| C22 | C23 | H6 | H7 | 119.0° | 120.0° |
| C22 | C23 | C24 | H8 | 36.6° | 60.0° |
| C22 | C23 | C24 | H9 | 83.4° | 60.0° |
| C22 | C21 | N19 | H2 | 121.2° | 120.0° |
| C22 | C21 | N19 | H3 | 121.2° | 120.0° |
| C22 | C21 | N19 | C18 | 51.6° | 180.0° |
| C22 | C21 | N19 | H1 | 128.4° | 0.0° |
| C22 | C21 | H2 | H3 | 116.3° | 120.0° |
| C21 | C22 | H4 | H5 | 121.0° | 120.0° |
| C21 | C22 | C23 | H6 | 84.9° | 60.0° |
| C21 | C22 | C23 | H7 | 34.4° | 60.0° |
| C21 | N19 | C18 | H1 | 180.0° | 179.9° |
| C21 | N19 | C18 | O20 | 1.2° | 0.1° |
| C21 | N19 | C18 | N17 | 178.3° | 179.7° |
| N19 | C21 | H2 | H3 | 116.2° | 120.0° |
| N19 | C21 | C22 | H4 | 72.0° | 60.0° |
| N19 | C21 | C22 | H5 | 48.6° | 60.0° |
| N19 | C18 | O20 | N17 | 177.0° | 179.8° |
| N19 | C18 | N17 | C1 | 175.7° | 179.7° |
| C18 | N19 | C21 | H2 | 172.8° | 60.1° |
| C18 | N19 | C21 | H3 | 69.6° | 60.0° |
| N19 | C18 | N17 | H13 | 4.3° | 0.3° |
| O20 | C18 | N17 | C1 | 7.2° | 0.0° |
| O20 | C18 | N19 | H1 | 178.9° | 180.0° |
| O20 | C18 | N17 | H13 | 172.8° | 179.9° |
| C18 | N17 | C1 | H13 | 180.0° | 179.9° |
| C18 | N17 | C1 | C2 | 23.2° | 0.0° |
| C18 | N17 | C1 | N5 | 150.9° | 179.7° |
| N17 | C18 | N19 | H1 | 1.7° | 0.2° |
| N17 | C1 | C2 | N5 | 174.9° | 179.7° |
| N17 | C1 | C2 | C3 | 174.8° | 179.9° |
| N17 | C1 | N5 | C6 | 3.4° | 0.1° |
| N17 | C1 | N5 | N4 | 174.9° | 180.0° |
| N17 | C1 | C2 | H23 | 5.2° | 0.0° |
| C9 | C11 | C6 | H24 | 180.0° | 179.9° |
| C11 | C9 | C7 | H25 | 180.0° | 179.9° |
| C9 | C11 | C6 | N5 | 179.0° | 179.9° |
| C9 | C11 | C6 | C10 | 2.1° | 0.3° |
| C11 | C9 | C7 | C16 | 179.7° | 180.0° |
| C11 | C9 | C7 | C8 | 0.3° | 0.1° |
| C6 | C11 | C9 | C7 | 1.3° | 0.1° |
| C11 | C6 | N5 | C1 | 47.6° | 34.7° |
| C11 | C6 | N5 | C10 | 176.9° | 179.7° |
| C11 | C6 | N5 | N4 | 130.6° | 145.2° |
| C11 | C6 | C10 | C8 | 1.8° | 0.6° |
| C6 | C11 | C9 | H25 | 178.7° | 180.0° |
| C11 | C6 | C10 | H30 | 178.2° | 179.7° |
| C9 | C7 | C16 | C8 | 180.0° | 180.0° |
| C9 | C7 | C8 | C10 | 0.1° | 0.3° |
| C7 | C9 | C11 | H24 | 178.7° | 180.0° |
| C9 | C7 | C16 | H26 | 90.0° | 90.0° |
| C9 | C7 | C16 | H27 | 150.0° | 150.0° |
| C9 | C7 | C16 | H28 | 30.0° | 30.0° |
| C9 | C7 | C8 | H29 | 179.9° | 180.0° |
| C1 | C2 | C3 | H23 | 180.0° | 179.9° |
| C2 | C1 | N5 | C6 | 178.6° | 179.8° |
| C2 | C1 | N5 | N4 | 0.2° | 0.3° |
| C1 | C2 | C3 | N4 | 0.1° | 0.4° |
| C1 | C2 | C3 | C12 | 178.7° | 179.9° |
| C2 | C1 | N17 | H13 | 156.8° | 180.0° |
| N5 | C1 | C2 | C3 | 0.2° | 0.4° |
| C1 | N5 | C6 | N4 | 178.2° | 179.9° |
| C1 | N5 | C6 | C10 | 135.5° | 145.0° |
| C1 | N5 | N4 | C3 | 0.2° | 0.0° |
| N5 | C1 | N17 | H13 | 29.1° | 0.3° |
| N5 | C1 | C2 | H23 | 179.8° | 179.7° |
| C2 | C3 | N4 | N5 | 0.1° | 0.2° |
| C2 | C3 | C12 | C14 | 48.0° | 164.7° |
| C2 | C3 | N4 | C12 | 178.7° | 179.8° |
| C2 | C3 | C12 | C15 | 70.6° | 75.3° |
| C2 | C3 | C12 | C13 | 170.3° | 44.7° |
| C6 | N5 | N4 | C3 | 178.7° | 180.0° |
| N5 | C6 | C10 | C8 | 178.7° | 179.7° |
| N5 | C6 | C11 | H24 | 1.0° | 0.0° |
| N5 | C6 | C10 | H30 | 1.3° | 0.0° |
| N4 | N5 | C6 | C10 | 46.3° | 35.1° |
| N5 | N4 | C3 | C12 | 178.6° | 180.0° |
| C14 | C12 | C3 | N4 | 133.5° | 15.0° |
| C14 | C12 | C3 | C15 | 118.7° | 120.0° |
| C14 | C12 | C3 | C13 | 122.3° | 120.0° |
| C14 | C12 | C15 | C13 | 121.2° | 120.0° |
| C14 | C12 | C15 | H14 | 180.0° | 60.0° |
| C14 | C12 | C15 | H15 | 60.0° | 60.0° |
| C14 | C12 | C15 | H16 | 60.0° | 180.0° |
| C12 | C14 | H17 | H18 | 120.0° | 120.0° |
| C12 | C14 | H17 | H19 | 120.0° | 120.0° |
| C12 | C14 | H18 | H19 | 120.0° | 120.0° |
| C14 | C12 | C13 | H20 | 180.0° | 180.0° |
| C14 | C12 | C13 | H21 | 60.0° | 60.0° |
| C14 | C12 | C13 | H22 | 60.0° | 60.0° |
| C6 | C10 | C8 | C7 | 0.8° | 0.6° |
| C6 | C10 | C8 | H30 | 180.0° | 179.7° |
| C10 | C6 | C11 | H24 | 177.9° | 179.7° |
| C6 | C10 | C8 | H29 | 179.2° | 179.6° |
| C16 | C7 | C8 | C10 | 179.9° | 179.7° |
| C16 | C7 | C9 | H25 | 0.3° | 0.0° |
| C7 | C16 | H26 | H27 | 120.0° | 120.0° |
| C7 | C16 | H26 | H28 | 120.0° | 120.0° |
| C7 | C16 | H27 | H28 | 120.0° | 120.0° |
| C16 | C7 | C8 | H29 | 0.1° | 0.1° |
| C7 | C8 | C10 | H29 | 180.0° | 179.8° |
| C8 | C7 | C9 | H25 | 179.7° | 180.0° |
| C8 | C7 | C16 | H26 | 90.0° | 90.0° |
| C8 | C7 | C16 | H27 | 30.0° | 30.0° |
| C8 | C7 | C16 | H28 | 150.0° | 150.0° |
| C7 | C8 | C10 | H30 | 179.2° | 179.7° |
| N4 | C3 | C12 | C15 | 107.8° | 105.0° |
| N4 | C3 | C12 | C13 | 11.2° | 135.0° |
| N4 | C3 | C2 | H23 | 179.9° | 179.7° |
| C3 | C12 | C15 | C13 | 120.7° | 120.0° |
| C3 | C12 | C15 | H14 | 61.9° | 60.0° |
| C3 | C12 | C15 | H15 | 178.1° | 180.0° |
| C3 | C12 | C15 | H16 | 58.1° | 60.0° |
| C3 | C12 | C14 | H17 | 180.0° | 60.0° |
| C3 | C12 | C14 | H18 | 60.0° | 180.0° |
| C3 | C12 | C14 | H19 | 60.0° | 60.0° |
| C3 | C12 | C13 | H20 | 58.9° | 60.0° |
| C3 | C12 | C13 | H21 | 61.1° | 180.0° |
| C3 | C12 | C13 | H22 | 178.9° | 60.0° |
| C12 | C3 | C2 | H23 | 1.2° | 0.0° |
| C12 | C15 | H14 | H15 | 120.0° | 120.0° |
| C12 | C15 | H14 | H16 | 120.0° | 120.0° |
| C12 | C15 | H15 | H16 | 120.0° | 120.0° |
| C15 | C12 | C14 | H17 | 62.5° | 180.0° |
| C15 | C12 | C14 | H18 | 177.5° | 60.0° |
| C15 | C12 | C14 | H19 | 57.5° | 60.0° |
| C15 | C12 | C13 | H20 | 59.6° | 60.0° |
| C15 | C12 | C13 | H21 | 179.6° | 60.0° |
| C15 | C12 | C13 | H22 | 60.4° | 180.0° |
| C13 | C12 | C15 | H14 | 58.8° | 180.0° |
| C13 | C12 | C15 | H15 | 61.2° | 60.0° |
| C13 | C12 | C15 | H16 | 178.8° | 60.0° |
| C13 | C12 | C14 | H17 | 57.4° | 60.0° |
| C13 | C12 | C14 | H18 | 62.6° | 60.0° |
| C13 | C12 | C14 | H19 | 177.4° | 180.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| H1 | N19 | C21 | H2 | 7.3° | 120.0° |
| H1 | N19 | C21 | H3 | 110.4° | 120.0° |
| H2 | C21 | C22 | H4 | 166.8° | 180.0° |
| H2 | C21 | C22 | H5 | 72.6° | 59.9° |
| H3 | C21 | C22 | H4 | 49.2° | 60.0° |
| H3 | C21 | C22 | H5 | 169.8° | 180.0° |
| H4 | C22 | C23 | H6 | 155.4° | 180.0° |
| H4 | C22 | C23 | H7 | 85.3° | 60.0° |
| H5 | C22 | C23 | H6 | 34.8° | 60.0° |
| H5 | C22 | C23 | H7 | 154.1° | 179.9° |
| H6 | C23 | C24 | H8 | 156.9° | 180.0° |
| H6 | C23 | C24 | H9 | 37.0° | 60.0° |
| H7 | C23 | C24 | H8 | 83.7° | 60.1° |
| H7 | C23 | C24 | H9 | 156.3° | 180.0° |
| H8 | C24 | C25 | H10 | 155.9° | 180.0° |
| H8 | C24 | C25 | H11 | 35.6° | 60.0° |
| H9 | C24 | C25 | H10 | 84.1° | 60.0° |
| H9 | C24 | C25 | H11 | 155.6° | 180.0° |
| H10 | C25 | O26 | H12 | 60.1° | 60.1° |
| H11 | C25 | O26 | H12 | 60.2° | 59.9° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
| H24 | C11 | C9 | H25 | 1.3° | 0.1° |
| H26 | C16 | H27 | H28 | 120.0° | 120.1° |
| H29 | C8 | C10 | H30 | 0.9° | 0.1° |
