G92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N23 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | N21 | sing | 1.33Å | 1.32Å | Aromatic |
| N23 | C24 | sing | 1.34Å | 1.34Å | Aromatic |
| N21 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| F11 | C8 | sing | 1.40Å | 1.38Å | |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C33 | sing | 1.42Å | 1.44Å | Aromatic |
| C13 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| F9 | C8 | sing | 1.40Å | 1.39Å | |
| O7 | C8 | sing | 1.43Å | 1.41Å | |
| O7 | C6 | sing | 1.36Å | 1.35Å | |
| C25 | C26 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | F10 | sing | 1.40Å | 1.40Å | |
| C20 | C33 | sing | 1.40Å | 1.43Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| C28 | O27 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.48Å | 1.47Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C26 | O27 | sing | 1.36Å | 1.37Å | |
| C26 | C29 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C2 | N14 | sing | 1.35Å | 1.36Å | |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | N14 | sing | 1.47Å | 1.48Å | |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| C32 | C29 | sing | 1.36Å | 1.39Å | Aromatic |
| C29 | O30 | sing | 1.36Å | 1.37Å | |
| O30 | C31 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C22 | N21 | 122.9° | 122.8° |
| C22 | N23 | C24 | 120.6° | 120.3° |
| N23 | C22 | H7 | 118.6° | 118.6° |
| C22 | N21 | C20 | 121.9° | 121.6° |
| N21 | C22 | H7 | 118.5° | 118.6° |
| N23 | C24 | C25 | 120.7° | 121.9° |
| N23 | C24 | C33 | 119.1° | 118.7° |
| N21 | C20 | C33 | 118.3° | 118.4° |
| N21 | C20 | C17 | 117.4° | 120.8° |
| C13 | C12 | C6 | 120.2° | 120.1° |
| C12 | C13 | C3 | 119.9° | 119.9° |
| C12 | C13 | H3 | 120.1° | 120.1° |
| C13 | C12 | H11 | 119.9° | 119.9° |
| C12 | C6 | O7 | 119.5° | 119.9° |
| C12 | C6 | C5 | 120.1° | 120.2° |
| C6 | C12 | H11 | 119.9° | 120.0° |
| F11 | C8 | F9 | 110.6° | 109.5° |
| F11 | C8 | O7 | 108.1° | 109.5° |
| F11 | C8 | F10 | 110.6° | 109.5° |
| C25 | C24 | C33 | 120.2° | 119.4° |
| C24 | C25 | C26 | 120.7° | 119.6° |
| C24 | C25 | H18 | 119.7° | 120.1° |
| C24 | C33 | C20 | 117.2° | 118.2° |
| C24 | C33 | C32 | 117.8° | 119.7° |
| C13 | C3 | C2 | 121.8° | 120.1° |
| C13 | C3 | C4 | 119.9° | 119.8° |
| C3 | C13 | H3 | 120.1° | 120.0° |
| F9 | C8 | O7 | 106.9° | 109.5° |
| F9 | C8 | F10 | 108.9° | 109.5° |
| C8 | O7 | C6 | 120.5° | 117.0° |
| O7 | C8 | F10 | 111.7° | 109.5° |
| O7 | C6 | C5 | 120.4° | 120.0° |
| C25 | C26 | O27 | 122.0° | 119.5° |
| C25 | C26 | C29 | 120.1° | 120.9° |
| C26 | C25 | H18 | 119.7° | 120.2° |
| C33 | C20 | C17 | 124.2° | 120.8° |
| C20 | C33 | C32 | 125.1° | 122.1° |
| C20 | C17 | C18 | 113.6° | 109.5° |
| C20 | C17 | C16 | 104.9° | 109.4° |
| C20 | C17 | H6 | 110.2° | 109.5° |
| C6 | C5 | C4 | 120.0° | 120.1° |
| C6 | C5 | H2 | 120.0° | 120.0° |
| C17 | C18 | C19 | 107.8° | 109.2° |
| C18 | C17 | C16 | 108.0° | 109.5° |
| C18 | C17 | H6 | 110.0° | 109.5° |
| C17 | C18 | H14 | 109.9° | 109.5° |
| C17 | C18 | H15 | 109.9° | 109.5° |
| C18 | C19 | N14 | 105.3° | 108.8° |
| C19 | C18 | H14 | 109.9° | 109.5° |
| C19 | C18 | H15 | 109.9° | 109.5° |
| C18 | C19 | H16 | 110.5° | 109.6° |
| C18 | C19 | H17 | 110.5° | 109.6° |
| C33 | C32 | C29 | 120.9° | 119.5° |
| C33 | C32 | H22 | 119.5° | 120.2° |
| C28 | O27 | C26 | 123.9° | 117.0° |
| O27 | C28 | H8 | 109.5° | 109.5° |
| O27 | C28 | H9 | 109.5° | 109.5° |
| O27 | C28 | H10 | 109.5° | 109.5° |
| C2 | C3 | C4 | 118.3° | 120.1° |
| C3 | C2 | O1 | 118.1° | 120.0° |
| C3 | C2 | N14 | 120.5° | 120.0° |
| C3 | C4 | C5 | 120.0° | 119.9° |
| C3 | C4 | H1 | 120.0° | 120.1° |
| C17 | C16 | C15 | 111.8° | 109.3° |
| C16 | C17 | H6 | 109.9° | 109.5° |
| C17 | C16 | H12 | 108.9° | 109.5° |
| C17 | C16 | H13 | 108.9° | 109.6° |
| O27 | C26 | C29 | 117.9° | 119.5° |
| C26 | C29 | C32 | 120.4° | 120.8° |
| C26 | C29 | O30 | 117.0° | 119.6° |
| C16 | C15 | N14 | 110.4° | 108.9° |
| C16 | C15 | H4 | 109.2° | 109.6° |
| C16 | C15 | H5 | 109.2° | 109.6° |
| C15 | C16 | H12 | 108.9° | 109.5° |
| C15 | C16 | H13 | 108.9° | 109.5° |
| O1 | C2 | N14 | 121.4° | 120.0° |
| C2 | N14 | C19 | 123.8° | 120.6° |
| C2 | N14 | C15 | 122.1° | 120.6° |
| C5 | C4 | H1 | 120.0° | 120.0° |
| C4 | C5 | H2 | 120.0° | 119.9° |
| C19 | N14 | C15 | 114.1° | 118.7° |
| N14 | C19 | H16 | 110.5° | 109.6° |
| N14 | C19 | H17 | 110.5° | 109.5° |
| N14 | C15 | H4 | 109.2° | 109.6° |
| N14 | C15 | H5 | 109.2° | 109.6° |
| C32 | C29 | O30 | 122.6° | 119.6° |
| C29 | C32 | H22 | 119.5° | 120.2° |
| C29 | O30 | C31 | 123.1° | 117.0° |
| O30 | C31 | H19 | 109.5° | 109.5° |
| O30 | C31 | H20 | 109.5° | 109.5° |
| O30 | C31 | H21 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.6° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H8 | C28 | H10 | 109.5° | 109.4° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.7° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H19 | C31 | H21 | 109.4° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C22 | N21 | H7 | 180.0° | 179.7° |
| N23 | C22 | N21 | C20 | 0.6° | 0.0° |
| C22 | N23 | C24 | C25 | 179.2° | 179.9° |
| C22 | N23 | C24 | C33 | 0.7° | 0.5° |
| N21 | C22 | N23 | C24 | 0.6° | 0.3° |
| C22 | N21 | C20 | C33 | 1.6° | 0.0° |
| C22 | N21 | C20 | C17 | 178.9° | 179.7° |
| N23 | C24 | C25 | C33 | 179.9° | 179.6° |
| N23 | C24 | C25 | C26 | 179.9° | 179.5° |
| N23 | C24 | C33 | C20 | 0.3° | 0.4° |
| N23 | C24 | C33 | C32 | 179.9° | 179.5° |
| C24 | N23 | C22 | H7 | 179.4° | 180.0° |
| N23 | C24 | C25 | H18 | 0.1° | 0.5° |
| N21 | C20 | C33 | C24 | 1.4° | 0.2° |
| N21 | C20 | C33 | C17 | 177.1° | 179.8° |
| N21 | C20 | C17 | C18 | 36.2° | 60.3° |
| N21 | C20 | C33 | C32 | 179.0° | 179.7° |
| N21 | C20 | C17 | C16 | 81.6° | 59.7° |
| N21 | C20 | C17 | H6 | 160.1° | 179.7° |
| C20 | N21 | C22 | H7 | 179.4° | 179.7° |
| C13 | C12 | C6 | H11 | 180.0° | 179.7° |
| C12 | C13 | C3 | H3 | 180.0° | 180.0° |
| C13 | C12 | C6 | O7 | 179.2° | 179.7° |
| C13 | C12 | C6 | C5 | 0.8° | 0.2° |
| C12 | C13 | C3 | C2 | 179.4° | 179.9° |
| C12 | C13 | C3 | C4 | 0.3° | 0.0° |
| C6 | C12 | C13 | C3 | 0.5° | 0.3° |
| C12 | C6 | O7 | C8 | 106.0° | 0.0° |
| C12 | C6 | O7 | C5 | 178.4° | 180.0° |
| C12 | C6 | C5 | C4 | 0.9° | 0.0° |
| C12 | C6 | C5 | H2 | 179.1° | 179.9° |
| C6 | C12 | C13 | H3 | 179.5° | 179.7° |
| F11 | C8 | F9 | O7 | 117.5° | 120.0° |
| F11 | C8 | F9 | F10 | 121.7° | 120.0° |
| F11 | C8 | O7 | F10 | 121.9° | 120.0° |
| F11 | C8 | O7 | C6 | 69.9° | 180.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C25 | C24 | C33 | C20 | 179.8° | 180.0° |
| C25 | C24 | C33 | C32 | 0.2° | 0.1° |
| C24 | C25 | C26 | O27 | 178.9° | 179.9° |
| C24 | C25 | C26 | C29 | 0.0° | 0.0° |
| C33 | C24 | C25 | C26 | 0.0° | 0.1° |
| C24 | C33 | C20 | C32 | 179.6° | 179.9° |
| C24 | C33 | C20 | C17 | 178.4° | 180.0° |
| C24 | C33 | C32 | C29 | 0.5° | 0.0° |
| C33 | C24 | C25 | H18 | 180.0° | 180.0° |
| C24 | C33 | C32 | H22 | 179.6° | 179.9° |
| C13 | C3 | C2 | C4 | 179.7° | 179.9° |
| C13 | C3 | C2 | O1 | 74.5° | 50.8° |
| C13 | C3 | C2 | N14 | 106.4° | 129.2° |
| C13 | C3 | C4 | C5 | 0.3° | 0.3° |
| C13 | C3 | C4 | H1 | 179.7° | 179.9° |
| C3 | C13 | C12 | H11 | 179.5° | 180.0° |
| F9 | C8 | O7 | F10 | 119.0° | 120.0° |
| F9 | C8 | O7 | C6 | 170.9° | 60.0° |
| C8 | O7 | C6 | C5 | 75.6° | 180.0° |
| C6 | O7 | C8 | F10 | 51.9° | 60.0° |
| O7 | C6 | C5 | C4 | 179.2° | 180.0° |
| O7 | C6 | C5 | H2 | 0.8° | 0.1° |
| O7 | C6 | C12 | H11 | 0.8° | 0.0° |
| C25 | C26 | O27 | C28 | 40.8° | 0.2° |
| C25 | C26 | O27 | C29 | 178.9° | 179.8° |
| C25 | C26 | C29 | C32 | 0.2° | 0.1° |
| C25 | C26 | C29 | O30 | 179.4° | 179.9° |
| C33 | C20 | C17 | C18 | 146.7° | 119.9° |
| C33 | C20 | C17 | C16 | 95.5° | 120.0° |
| C20 | C33 | C32 | C29 | 179.9° | 180.0° |
| C33 | C20 | C17 | H6 | 22.8° | 0.1° |
| C20 | C33 | C32 | H22 | 0.0° | 0.0° |
| C20 | C17 | C18 | C16 | 116.0° | 120.0° |
| C20 | C17 | C18 | H6 | 124.1° | 120.0° |
| C20 | C17 | C18 | C19 | 179.4° | 178.6° |
| C17 | C20 | C33 | C32 | 1.9° | 0.0° |
| C20 | C17 | C16 | H6 | 118.5° | 119.9° |
| C20 | C17 | C16 | C15 | 177.2° | 178.6° |
| C20 | C17 | C16 | H12 | 62.5° | 61.5° |
| C20 | C17 | C16 | H13 | 56.8° | 58.7° |
| C20 | C17 | C18 | H14 | 60.9° | 61.4° |
| C20 | C17 | C18 | H15 | 59.6° | 58.7° |
| C6 | C5 | C4 | C3 | 0.6° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.4° | 179.9° |
| C5 | C6 | C12 | H11 | 179.2° | 180.0° |
| C17 | C18 | C19 | H14 | 119.7° | 119.9° |
| C17 | C18 | C19 | H15 | 119.8° | 119.9° |
| C18 | C17 | C16 | H6 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 55.6° | 61.3° |
| C17 | C18 | C19 | N14 | 66.9° | 54.7° |
| C18 | C17 | C16 | H12 | 176.0° | 58.6° |
| C18 | C17 | C16 | H13 | 64.7° | 178.8° |
| C17 | C18 | H14 | H15 | 120.8° | 120.1° |
| C17 | C18 | C19 | H16 | 173.8° | 65.2° |
| C17 | C18 | C19 | H17 | 52.4° | 174.4° |
| C19 | C18 | C17 | C16 | 64.7° | 61.4° |
| C18 | C19 | N14 | C2 | 116.2° | 126.4° |
| C18 | C19 | N14 | H16 | 119.3° | 119.8° |
| C18 | C19 | N14 | H17 | 119.3° | 119.8° |
| C18 | C19 | N14 | C15 | 63.2° | 53.6° |
| C19 | C18 | C17 | H6 | 55.3° | 58.6° |
| C19 | C18 | H14 | H15 | 120.8° | 120.1° |
| C18 | C19 | H16 | H17 | 121.9° | 120.4° |
| C33 | C32 | C29 | C26 | 0.5° | 0.1° |
| C33 | C32 | C29 | H22 | 180.0° | 180.0° |
| C33 | C32 | C29 | O30 | 179.2° | 179.9° |
| C28 | O27 | C26 | C29 | 140.3° | 180.0° |
| O27 | C28 | H8 | H9 | 120.0° | 120.0° |
| O27 | C28 | H8 | H10 | 120.0° | 120.0° |
| O27 | C28 | H9 | H10 | 120.0° | 120.0° |
| C3 | C2 | O1 | N14 | 179.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.4° | 179.7° |
| C3 | C2 | N14 | C19 | 1.9° | 3.8° |
| C3 | C2 | N14 | C15 | 178.8° | 176.2° |
| C2 | C3 | C4 | H1 | 0.6° | 0.0° |
| C2 | C3 | C13 | H3 | 0.6° | 0.0° |
| C4 | C3 | C2 | O1 | 105.7° | 129.1° |
| C4 | C3 | C2 | N14 | 73.3° | 50.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 179.4° | 179.8° |
| C4 | C3 | C13 | H3 | 179.7° | 180.0° |
| C17 | C16 | C15 | H12 | 120.3° | 120.0° |
| C17 | C16 | C15 | H13 | 120.4° | 120.0° |
| C17 | C16 | C15 | N14 | 49.7° | 54.6° |
| C17 | C16 | C15 | H4 | 70.4° | 174.4° |
| C17 | C16 | C15 | H5 | 169.9° | 65.3° |
| C17 | C16 | H12 | H13 | 118.9° | 120.2° |
| C16 | C17 | C18 | H14 | 55.1° | 58.5° |
| C16 | C17 | C18 | H15 | 175.6° | 178.7° |
| O27 | C26 | C29 | C32 | 179.1° | 179.9° |
| O27 | C26 | C29 | O30 | 0.5° | 0.1° |
| C26 | O27 | C28 | H8 | 180.0° | 60.0° |
| C26 | O27 | C28 | H9 | 60.0° | 60.1° |
| C26 | O27 | C28 | H10 | 60.0° | 180.0° |
| O27 | C26 | C25 | H18 | 1.2° | 0.1° |
| C26 | C29 | C32 | O30 | 179.7° | 180.0° |
| C26 | C29 | O30 | C31 | 170.5° | 180.0° |
| C29 | C26 | C25 | H18 | 180.0° | 179.9° |
| C26 | C29 | C32 | H22 | 179.6° | 180.0° |
| C16 | C15 | N14 | C2 | 124.4° | 126.4° |
| C16 | C15 | N14 | C19 | 54.9° | 53.5° |
| C16 | C15 | N14 | H4 | 120.1° | 119.8° |
| C16 | C15 | N14 | H5 | 120.1° | 119.8° |
| C16 | C15 | H4 | H5 | 119.6° | 120.3° |
| C15 | C16 | C17 | H6 | 64.4° | 58.7° |
| C15 | C16 | H12 | H13 | 118.9° | 120.0° |
| O1 | C2 | N14 | C19 | 179.1° | 176.2° |
| O1 | C2 | N14 | C15 | 0.2° | 3.8° |
| C2 | N14 | C19 | C15 | 179.3° | 180.0° |
| C2 | N14 | C15 | H4 | 115.5° | 6.6° |
| C2 | N14 | C15 | H5 | 4.3° | 113.7° |
| C2 | N14 | C19 | H16 | 3.1° | 113.8° |
| C2 | N14 | C19 | H17 | 124.5° | 6.6° |
| C19 | N14 | C15 | H4 | 65.2° | 173.4° |
| C19 | N14 | C15 | H5 | 175.1° | 66.3° |
| N14 | C19 | C18 | H14 | 52.8° | 65.2° |
| N14 | C19 | C18 | H15 | 173.3° | 174.6° |
| N14 | C19 | H16 | H17 | 121.9° | 120.3° |
| N14 | C15 | H4 | H5 | 119.6° | 120.3° |
| N14 | C15 | C16 | H12 | 170.1° | 65.4° |
| N14 | C15 | C16 | H13 | 70.6° | 174.6° |
| C15 | N14 | C19 | H16 | 177.5° | 66.2° |
| C15 | N14 | C19 | H17 | 56.2° | 173.4° |
| C32 | C29 | O30 | C31 | 9.9° | 0.0° |
| C29 | O30 | C31 | H19 | 180.0° | 180.0° |
| C29 | O30 | C31 | H20 | 60.0° | 60.0° |
| C29 | O30 | C31 | H21 | 60.0° | 60.0° |
| O30 | C29 | C32 | H22 | 0.8° | 0.0° |
| O30 | C31 | H19 | H20 | 120.0° | 120.0° |
| O30 | C31 | H19 | H21 | 120.0° | 120.0° |
| O30 | C31 | H20 | H21 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.6° | 0.1° |
| H3 | C13 | C12 | H11 | 0.5° | 0.0° |
| H4 | C15 | C16 | H12 | 49.9° | 54.4° |
| H4 | C15 | C16 | H13 | 169.2° | 65.6° |
| H5 | C15 | C16 | H12 | 69.8° | 174.8° |
| H5 | C15 | C16 | H13 | 49.5° | 54.7° |
| H6 | C17 | C16 | H12 | 56.0° | 178.6° |
| H6 | C17 | C16 | H13 | 175.3° | 61.2° |
| H6 | C17 | C18 | H14 | 175.0° | 178.5° |
| H6 | C17 | C18 | H15 | 64.4° | 61.3° |
| H8 | C28 | H9 | H10 | 120.0° | 119.9° |
| H14 | C18 | C19 | H16 | 66.5° | 174.9° |
| H14 | C18 | C19 | H17 | 172.1° | 54.5° |
| H15 | C18 | C19 | H16 | 54.0° | 54.8° |
| H15 | C18 | C19 | H17 | 67.3° | 65.6° |
| H19 | C31 | H20 | H21 | 120.0° | 119.9° |
