77G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C7 | sing | 1.36Å | 1.37Å | |
| C30 | N19 | sing | 1.46Å | 1.47Å | |
| C30 | C32 | sing | 1.53Å | 1.55Å | |
| N19 | C9 | sing | 1.35Å | 1.32Å | |
| O24 | C13 | sing | 1.36Å | 1.36Å | |
| C7 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| N14 | C16 | doub | 1.32Å | 1.33Å | Aromatic |
| N14 | C10 | sing | 1.33Å | 1.36Å | Aromatic |
| C16 | N11 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | C2 | sing | 1.48Å | 1.50Å | |
| C9 | O18 | doub | 1.22Å | 1.23Å | |
| C13 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| N22 | C10 | sing | 1.38Å | 1.47Å | |
| C10 | C1 | doub | 1.41Å | 1.38Å | Aromatic |
| N11 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | C26 | sing | 1.53Å | 1.52Å | |
| C2 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.37Å | Aromatic |
| C4 | N5 | sing | 1.37Å | 1.34Å | Aromatic |
| C1 | N3 | sing | 1.35Å | 1.36Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C15 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| N5 | C26 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | C6 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.48Å | 1.49Å | |
| C21 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C27 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C25 | F29 | sing | 1.35Å | 1.36Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| O23 | H9 | sing | 0.97Å | 0.95Å | |
| O24 | H10 | sing | 0.97Å | 0.95Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| N19 | H12 | sing | 0.97Å | 1.00Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| N22 | H21 | sing | 0.97Å | 1.00Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C7 | C13 | 117.0° | 120.0° |
| O23 | C7 | C2 | 123.5° | 120.0° |
| C7 | O23 | H9 | 109.5° | 114.0° |
| N19 | C30 | C32 | 110.0° | 109.5° |
| C30 | N19 | C9 | 122.2° | 120.0° |
| C30 | N19 | H12 | 118.9° | 120.1° |
| N19 | C30 | H13 | 109.3° | 109.5° |
| N19 | C30 | H14 | 109.3° | 109.5° |
| C30 | C32 | C33 | 112.1° | 109.5° |
| C32 | C30 | H13 | 109.3° | 109.5° |
| C32 | C30 | H14 | 109.3° | 109.5° |
| C30 | C32 | H15 | 108.8° | 109.4° |
| C30 | C32 | H16 | 108.8° | 109.5° |
| N19 | C9 | C2 | 118.0° | 120.0° |
| N19 | C9 | O18 | 122.0° | 120.0° |
| C9 | N19 | H12 | 118.9° | 120.0° |
| O24 | C13 | C7 | 118.1° | 119.9° |
| O24 | C13 | C15 | 120.5° | 120.0° |
| C13 | O24 | H10 | 109.5° | 114.0° |
| C13 | C7 | C2 | 119.5° | 120.0° |
| C7 | C13 | C15 | 121.2° | 120.1° |
| C7 | C2 | C9 | 123.6° | 120.1° |
| C7 | C2 | C8 | 118.7° | 119.8° |
| C16 | N14 | C10 | 118.4° | 121.2° |
| N14 | C16 | N11 | 120.7° | 122.5° |
| N14 | C16 | H23 | 119.7° | 118.8° |
| N14 | C10 | N22 | 120.0° | 120.8° |
| N14 | C10 | C1 | 122.3° | 118.5° |
| C16 | N11 | C4 | 122.4° | 120.7° |
| N11 | C16 | H23 | 119.6° | 118.7° |
| C2 | C9 | O18 | 120.0° | 120.0° |
| C9 | C2 | C8 | 117.7° | 120.1° |
| C13 | C15 | C12 | 119.7° | 120.2° |
| C13 | C15 | H3 | 120.2° | 119.9° |
| N22 | C10 | C1 | 117.7° | 120.7° |
| C10 | N22 | H21 | 109.5° | 120.0° |
| C10 | N22 | H22 | 109.5° | 120.0° |
| C10 | C1 | C4 | 117.3° | 118.2° |
| C10 | C1 | N3 | 134.7° | 134.7° |
| N11 | C4 | C1 | 119.0° | 119.0° |
| N11 | C4 | N5 | 132.8° | 135.0° |
| C33 | C31 | C26 | 115.8° | 109.5° |
| C31 | C33 | C32 | 109.4° | 109.5° |
| C31 | C33 | H17 | 109.5° | 109.4° |
| C31 | C33 | H18 | 109.5° | 109.5° |
| C33 | C31 | H19 | 107.9° | 109.4° |
| C33 | C31 | H20 | 107.9° | 109.5° |
| C31 | C26 | N5 | 118.2° | 109.5° |
| C31 | C26 | H6 | 107.2° | 109.5° |
| C31 | C26 | H7 | 107.2° | 109.5° |
| C26 | C31 | H19 | 107.8° | 109.4° |
| C26 | C31 | H20 | 107.8° | 109.5° |
| C2 | C8 | C12 | 121.3° | 119.9° |
| C2 | C8 | H2 | 119.4° | 120.1° |
| C1 | C4 | N5 | 108.2° | 106.0° |
| C4 | C1 | N3 | 108.0° | 107.1° |
| C4 | N5 | C26 | 122.3° | 126.3° |
| C4 | N5 | C6 | 108.3° | 107.4° |
| C1 | N3 | C6 | 107.1° | 109.5° |
| C33 | C32 | H15 | 108.8° | 109.4° |
| C33 | C32 | H16 | 108.8° | 109.5° |
| C32 | C33 | H17 | 109.5° | 109.5° |
| C32 | C33 | H18 | 109.5° | 109.5° |
| C15 | C12 | C8 | 119.5° | 120.1° |
| C15 | C12 | C17 | 120.6° | 120.0° |
| C12 | C15 | H3 | 120.1° | 119.9° |
| C26 | N5 | C6 | 129.3° | 126.3° |
| N5 | C26 | H6 | 107.2° | 109.5° |
| N5 | C26 | H7 | 107.3° | 109.4° |
| N5 | C6 | N3 | 108.4° | 110.0° |
| N5 | C6 | H1 | 125.8° | 124.9° |
| N3 | C6 | H1 | 125.8° | 125.1° |
| C8 | C12 | C17 | 119.9° | 119.9° |
| C12 | C8 | H2 | 119.4° | 120.1° |
| C12 | C17 | C21 | 119.8° | 120.1° |
| C12 | C17 | C20 | 120.8° | 120.1° |
| C17 | C21 | C27 | 121.3° | 119.9° |
| C21 | C17 | C20 | 119.3° | 119.8° |
| C17 | C21 | H5 | 119.4° | 120.1° |
| C21 | C27 | C25 | 118.9° | 120.1° |
| C27 | C21 | H5 | 119.4° | 120.0° |
| C21 | C27 | H11 | 120.6° | 120.0° |
| C17 | C20 | C28 | 119.5° | 119.9° |
| C17 | C20 | H4 | 120.3° | 120.1° |
| C27 | C25 | C28 | 119.8° | 120.2° |
| C27 | C25 | F29 | 118.9° | 119.9° |
| C25 | C27 | H11 | 120.6° | 119.9° |
| C20 | C28 | C25 | 121.2° | 120.1° |
| C28 | C20 | H4 | 120.2° | 120.0° |
| C20 | C28 | H8 | 119.4° | 119.9° |
| C28 | C25 | F29 | 121.3° | 119.9° |
| C25 | C28 | H8 | 119.4° | 119.9° |
| H6 | C26 | H7 | 109.5° | 109.4° |
| H13 | C30 | H14 | 109.5° | 109.4° |
| H15 | C32 | H16 | 109.4° | 109.5° |
| H17 | C33 | H18 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H21 | N22 | H22 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C7 | C13 | O24 | 0.5° | 0.2° |
| O23 | C7 | C13 | C2 | 179.8° | 179.8° |
| O23 | C7 | C2 | C9 | 3.0° | 0.3° |
| O23 | C7 | C13 | C15 | 176.6° | 179.8° |
| O23 | C7 | C2 | C8 | 178.5° | 179.8° |
| N19 | C30 | C32 | H13 | 120.1° | 120.0° |
| N19 | C30 | C32 | H14 | 120.1° | 120.0° |
| C30 | N19 | C9 | H12 | 180.0° | 180.0° |
| C30 | N19 | C9 | C2 | 176.3° | 180.0° |
| C30 | N19 | C9 | O18 | 1.4° | 0.0° |
| N19 | C30 | C32 | C33 | 170.4° | 180.0° |
| N19 | C30 | H13 | H14 | 119.7° | 120.0° |
| N19 | C30 | C32 | H15 | 50.0° | 60.0° |
| N19 | C30 | C32 | H16 | 69.2° | 60.0° |
| C32 | C30 | N19 | C9 | 83.0° | 180.0° |
| C30 | C32 | C33 | C31 | 53.1° | 180.0° |
| C30 | C32 | C33 | H15 | 120.4° | 120.0° |
| C30 | C32 | C33 | H16 | 120.4° | 120.0° |
| C32 | C30 | N19 | H12 | 97.1° | 0.0° |
| C32 | C30 | H13 | H14 | 119.7° | 120.0° |
| C30 | C32 | H15 | H16 | 118.8° | 120.0° |
| C30 | C32 | C33 | H17 | 66.9° | 60.1° |
| C30 | C32 | C33 | H18 | 173.1° | 60.0° |
| N19 | C9 | C2 | C7 | 10.7° | 180.0° |
| N19 | C9 | C2 | O18 | 177.8° | 180.0° |
| N19 | C9 | C2 | C8 | 167.8° | 0.0° |
| C9 | N19 | C30 | H13 | 156.9° | 60.0° |
| C9 | N19 | C30 | H14 | 37.1° | 60.0° |
| O24 | C13 | C7 | C15 | 176.1° | 180.0° |
| O24 | C13 | C7 | C2 | 179.2° | 180.0° |
| O24 | C13 | C15 | C12 | 178.6° | 180.0° |
| O24 | C13 | C15 | H3 | 1.4° | 0.0° |
| C13 | C7 | C2 | C9 | 177.3° | 180.0° |
| C13 | C7 | C2 | C8 | 1.3° | 0.0° |
| C7 | C13 | C15 | C12 | 2.7° | 0.1° |
| C7 | C13 | C15 | H3 | 177.4° | 180.0° |
| C13 | C7 | O23 | H9 | 180.0° | 90.0° |
| C7 | C13 | O24 | H10 | 180.0° | 90.0° |
| C7 | C2 | C9 | C8 | 178.6° | 180.0° |
| C7 | C2 | C9 | O18 | 171.5° | 0.0° |
| C2 | C7 | C13 | C15 | 3.1° | 0.0° |
| C7 | C2 | C8 | C12 | 1.0° | 0.0° |
| C7 | C2 | C8 | H2 | 179.0° | 180.0° |
| C2 | C7 | O23 | H9 | 0.3° | 90.3° |
| N14 | C16 | N11 | H23 | 180.0° | 179.9° |
| C16 | N14 | C10 | N22 | 179.2° | 180.0° |
| C16 | N14 | C10 | C1 | 1.7° | 0.1° |
| N14 | C16 | N11 | C4 | 0.7° | 0.1° |
| C10 | N14 | C16 | N11 | 1.3° | 0.1° |
| N14 | C10 | N22 | C1 | 179.1° | 180.0° |
| N14 | C10 | C1 | C4 | 1.3° | 0.0° |
| N14 | C10 | C1 | N3 | 179.8° | 180.0° |
| N14 | C10 | N22 | H21 | 0.0° | 180.0° |
| N14 | C10 | N22 | H22 | 120.0° | 0.0° |
| C10 | N14 | C16 | H23 | 178.7° | 180.0° |
| C16 | N11 | C4 | C1 | 0.3° | 0.1° |
| C16 | N11 | C4 | N5 | 178.8° | 180.0° |
| C9 | C2 | C8 | C12 | 179.7° | 180.0° |
| C9 | C2 | C8 | H2 | 0.3° | 0.0° |
| C2 | C9 | N19 | H12 | 3.7° | 0.0° |
| O18 | C9 | C2 | C8 | 10.0° | 180.0° |
| O18 | C9 | N19 | H12 | 178.5° | 180.0° |
| C13 | C15 | C12 | H3 | 180.0° | 180.0° |
| C13 | C15 | C12 | C8 | 0.3° | 0.1° |
| C13 | C15 | C12 | C17 | 179.2° | 180.0° |
| C15 | C13 | O24 | H10 | 3.9° | 90.0° |
| N22 | C10 | C1 | C4 | 179.6° | 180.0° |
| N22 | C10 | C1 | N3 | 1.1° | 0.0° |
| C10 | N22 | H21 | H22 | 120.0° | 180.0° |
| C10 | C1 | C4 | N11 | 0.6° | 0.1° |
| C10 | C1 | C4 | N3 | 178.9° | 180.0° |
| C10 | C1 | C4 | N5 | 178.8° | 180.0° |
| C10 | C1 | N3 | C6 | 179.2° | 180.0° |
| C1 | C10 | N22 | H21 | 179.1° | 0.0° |
| C1 | C10 | N22 | H22 | 60.9° | 180.0° |
| N11 | C4 | C1 | N5 | 179.3° | 179.9° |
| N11 | C4 | C1 | N3 | 179.4° | 180.0° |
| N11 | C4 | N5 | C26 | 3.3° | 0.1° |
| N11 | C4 | N5 | C6 | 180.0° | 180.0° |
| C4 | N11 | C16 | H23 | 179.3° | 180.0° |
| C33 | C31 | C26 | H19 | 120.9° | 119.9° |
| C33 | C31 | C26 | H20 | 120.9° | 120.0° |
| C31 | C33 | C32 | H17 | 120.0° | 120.0° |
| C31 | C33 | C32 | H18 | 120.0° | 120.0° |
| C33 | C31 | C26 | N5 | 157.6° | 180.0° |
| C33 | C31 | C26 | H6 | 36.4° | 59.9° |
| C33 | C31 | C26 | H7 | 81.1° | 60.0° |
| C31 | C33 | C32 | H15 | 67.3° | 60.0° |
| C31 | C33 | C32 | H16 | 173.5° | 60.0° |
| C31 | C33 | H17 | H18 | 120.0° | 120.0° |
| C33 | C31 | H19 | H20 | 117.1° | 120.0° |
| C31 | C26 | N5 | C4 | 119.5° | 85.0° |
| C26 | C31 | C33 | C32 | 125.9° | 180.0° |
| C31 | C26 | N5 | H6 | 121.2° | 120.1° |
| C31 | C26 | N5 | H7 | 121.3° | 120.0° |
| C31 | C26 | N5 | C6 | 64.5° | 94.9° |
| C31 | C26 | H6 | H7 | 116.0° | 120.0° |
| C26 | C31 | C33 | H17 | 114.1° | 59.9° |
| C26 | C31 | C33 | H18 | 6.0° | 60.0° |
| C26 | C31 | H19 | H20 | 117.1° | 120.0° |
| C2 | C8 | C12 | C15 | 1.5° | 0.0° |
| C2 | C8 | C12 | H2 | 180.0° | 180.0° |
| C2 | C8 | C12 | C17 | 178.9° | 180.0° |
| C1 | C4 | N5 | C26 | 177.5° | 179.9° |
| C1 | C4 | N5 | C6 | 0.8° | 0.0° |
| C4 | C1 | N3 | C6 | 0.6° | 0.0° |
| N5 | C4 | C1 | N3 | 0.1° | 0.0° |
| C4 | N5 | C26 | C6 | 176.0° | 179.9° |
| C4 | N5 | C6 | N3 | 1.1° | 0.0° |
| C4 | N5 | C6 | H1 | 178.9° | 179.9° |
| C4 | N5 | C26 | H6 | 119.3° | 35.1° |
| C4 | N5 | C26 | H7 | 1.8° | 155.0° |
| C1 | N3 | C6 | N5 | 1.0° | 0.0° |
| C1 | N3 | C6 | H1 | 179.0° | 180.0° |
| C33 | C32 | C30 | H13 | 69.5° | 60.0° |
| C33 | C32 | C30 | H14 | 50.3° | 60.0° |
| C33 | C32 | H15 | H16 | 118.8° | 120.0° |
| C32 | C33 | H17 | H18 | 120.0° | 120.0° |
| C32 | C33 | C31 | H19 | 113.1° | 60.0° |
| C32 | C33 | C31 | H20 | 5.0° | 60.0° |
| C15 | C12 | C8 | C17 | 179.5° | 180.0° |
| C15 | C12 | C17 | C21 | 34.8° | 179.7° |
| C15 | C12 | C17 | C20 | 145.1° | 0.1° |
| C15 | C12 | C8 | H2 | 178.5° | 180.0° |
| C26 | N5 | C6 | N3 | 177.6° | 179.9° |
| C26 | N5 | C6 | H1 | 2.4° | 0.0° |
| N5 | C26 | H6 | H7 | 116.1° | 120.0° |
| N5 | C26 | C31 | H19 | 81.4° | 60.1° |
| N5 | C26 | C31 | H20 | 36.7° | 60.0° |
| N5 | C6 | N3 | H1 | 180.0° | 180.0° |
| C6 | N5 | C26 | H6 | 56.7° | 145.0° |
| C6 | N5 | C26 | H7 | 174.2° | 25.1° |
| C8 | C12 | C17 | C21 | 145.7° | 0.3° |
| C8 | C12 | C17 | C20 | 34.4° | 180.0° |
| C8 | C12 | C15 | H3 | 179.7° | 180.0° |
| C12 | C17 | C21 | C20 | 179.9° | 179.7° |
| C12 | C17 | C21 | C27 | 179.4° | 179.7° |
| C12 | C17 | C20 | C28 | 178.0° | 179.7° |
| C17 | C12 | C8 | H2 | 1.1° | 0.0° |
| C17 | C12 | C15 | H3 | 0.8° | 0.0° |
| C12 | C17 | C20 | H4 | 2.0° | 0.3° |
| C12 | C17 | C21 | H5 | 0.6° | 0.3° |
| C17 | C21 | C27 | H5 | 180.0° | 179.9° |
| C17 | C21 | C27 | C25 | 0.9° | 0.1° |
| C21 | C17 | C20 | C28 | 1.9° | 0.0° |
| C21 | C17 | C20 | H4 | 178.1° | 180.0° |
| C17 | C21 | C27 | H11 | 179.1° | 180.0° |
| C27 | C21 | C17 | C20 | 0.5° | 0.1° |
| C21 | C27 | C25 | H11 | 180.0° | 180.0° |
| C21 | C27 | C25 | C28 | 1.0° | 0.0° |
| C21 | C27 | C25 | F29 | 179.8° | 180.0° |
| C17 | C20 | C28 | H4 | 180.0° | 180.0° |
| C17 | C20 | C28 | C25 | 1.9° | 0.0° |
| C20 | C17 | C21 | H5 | 179.5° | 180.0° |
| C17 | C20 | C28 | H8 | 178.1° | 180.0° |
| C27 | C25 | C28 | C20 | 0.4° | 0.0° |
| C27 | C25 | C28 | F29 | 179.2° | 180.0° |
| C25 | C27 | C21 | H5 | 179.1° | 180.0° |
| C27 | C25 | C28 | H8 | 179.6° | 180.0° |
| C20 | C28 | C25 | H8 | 180.0° | 179.9° |
| C20 | C28 | C25 | F29 | 178.8° | 180.0° |
| C25 | C28 | C20 | H4 | 178.1° | 180.0° |
| C28 | C25 | C27 | H11 | 179.0° | 180.0° |
| F29 | C25 | C28 | H8 | 1.2° | 0.0° |
| F29 | C25 | C27 | H11 | 0.2° | 0.0° |
| H4 | C20 | C28 | H8 | 1.9° | 0.0° |
| H5 | C21 | C27 | H11 | 0.9° | 0.0° |
| H6 | C26 | C31 | H19 | 157.3° | 60.0° |
| H6 | C26 | C31 | H20 | 84.6° | 180.0° |
| H7 | C26 | C31 | H19 | 39.8° | 180.0° |
| H7 | C26 | C31 | H20 | 158.0° | 60.0° |
| H12 | N19 | C30 | H13 | 23.0° | 120.0° |
| H12 | N19 | C30 | H14 | 142.9° | 120.0° |
| H13 | C30 | C32 | H15 | 170.1° | 180.0° |
| H13 | C30 | C32 | H16 | 50.9° | 60.1° |
| H14 | C30 | C32 | H15 | 70.1° | 60.0° |
| H14 | C30 | C32 | H16 | 170.7° | 180.0° |
| H15 | C32 | C33 | H17 | 172.7° | 180.0° |
| H15 | C32 | C33 | H18 | 52.6° | 60.0° |
| H16 | C32 | C33 | H17 | 53.5° | 60.0° |
| H16 | C32 | C33 | H18 | 66.5° | 180.0° |
| H17 | C33 | C31 | H19 | 6.9° | 60.0° |
| H17 | C33 | C31 | H20 | 125.0° | 180.0° |
| H18 | C33 | C31 | H19 | 126.9° | 180.0° |
| H18 | C33 | C31 | H20 | 114.9° | 60.0° |
