33G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | C24 | trip | 1.14Å | 1.14Å | |
| N9 | C8 | trip | 1.14Å | 1.18Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C24 | C20 | sing | 1.43Å | 1.29Å | |
| C8 | C3 | sing | 1.43Å | 1.29Å | |
| C15 | C14 | sing | 1.54Å | 1.53Å | |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | C2 | sing | 1.37Å | 1.34Å | |
| C17 | C14 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | doub | 1.35Å | 1.36Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C14 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | O1 | sing | 1.35Å | 1.47Å | |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C4 | sing | 1.51Å | 1.53Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.49Å | |
| O1 | C6 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | sing | 1.41Å | 1.46Å | Aromatic |
| C5 | C10 | doub | 1.34Å | 1.50Å | Aromatic |
| C6 | N12 | doub | 1.30Å | 1.35Å | Aromatic |
| C31 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.51Å | |
| C10 | N11 | sing | 1.35Å | 1.36Å | Aromatic |
| F32 | C30 | sing | 1.35Å | 1.34Å | |
| N12 | N11 | sing | 1.40Å | 1.42Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | H1 | sing | 1.08Å | 1.08Å | |
| C28 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.08Å | 1.08Å | |
| C31 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| N7 | H10 | sing | 0.97Å | 1.00Å | |
| N7 | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | 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 | |
| N11 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | C24 | C20 | 178.4° | 180.0° |
| N9 | C8 | C3 | 178.5° | 180.0° |
| C15 | C16 | C17 | 90.6° | 87.1° |
| C16 | C15 | C14 | 89.5° | 87.0° |
| C15 | C16 | H16 | 114.0° | 113.7° |
| C15 | C16 | H17 | 114.0° | 113.6° |
| C16 | C15 | H18 | 114.2° | 113.6° |
| C16 | C15 | H19 | 114.2° | 113.6° |
| C16 | C17 | C14 | 89.5° | 87.0° |
| C16 | C17 | H14 | 114.2° | 113.6° |
| C16 | C17 | H15 | 114.2° | 113.7° |
| C17 | C16 | H16 | 113.9° | 113.5° |
| C17 | C16 | H17 | 114.0° | 113.6° |
| C24 | C20 | C19 | 117.3° | 120.1° |
| C24 | C20 | C21 | 121.7° | 120.1° |
| C8 | C3 | C2 | 117.5° | 118.5° |
| C8 | C3 | C4 | 121.8° | 118.5° |
| C15 | C14 | C17 | 90.4° | 87.2° |
| C15 | C14 | C4 | 116.9° | 113.6° |
| C15 | C14 | H13 | 110.4° | 113.6° |
| C14 | C15 | H18 | 114.2° | 113.6° |
| C14 | C15 | H19 | 114.2° | 113.7° |
| C19 | C20 | C21 | 120.9° | 119.9° |
| C20 | C19 | C18 | 121.3° | 120.1° |
| C20 | C19 | H6 | 119.3° | 120.0° |
| C20 | C21 | C22 | 118.5° | 119.7° |
| C20 | C21 | H5 | 120.7° | 120.2° |
| C19 | C18 | C4 | 122.9° | 119.8° |
| C19 | C18 | C23 | 116.8° | 120.3° |
| C18 | C19 | H6 | 119.4° | 120.0° |
| N7 | C2 | C3 | 120.0° | 117.7° |
| N7 | C2 | O1 | 117.2° | 117.7° |
| C2 | N7 | H10 | 109.5° | 120.0° |
| C2 | N7 | H11 | 109.5° | 120.0° |
| C17 | C14 | C4 | 117.1° | 113.6° |
| C17 | C14 | H13 | 110.4° | 113.6° |
| C14 | C17 | H14 | 114.2° | 113.6° |
| C14 | C17 | H15 | 114.2° | 113.6° |
| C2 | C3 | C4 | 120.7° | 123.0° |
| C3 | C2 | O1 | 122.8° | 124.6° |
| C3 | C4 | C14 | 111.4° | 109.8° |
| C3 | C4 | C18 | 107.4° | 109.7° |
| C3 | C4 | C5 | 110.8° | 108.1° |
| C14 | C4 | C18 | 116.4° | 109.7° |
| C14 | C4 | C5 | 102.1° | 109.7° |
| C4 | C14 | H13 | 110.2° | 112.8° |
| C2 | O1 | C6 | 120.6° | 117.4° |
| C21 | C22 | C23 | 120.0° | 119.9° |
| C21 | C22 | C26 | 122.2° | 120.0° |
| C22 | C21 | H5 | 120.7° | 120.1° |
| C4 | C18 | C23 | 120.2° | 119.9° |
| C18 | C4 | C5 | 108.6° | 109.7° |
| C18 | C23 | C22 | 122.4° | 120.2° |
| C18 | C23 | H7 | 118.8° | 119.9° |
| C4 | C5 | C6 | 124.6° | 122.2° |
| C4 | C5 | C10 | 134.6° | 129.7° |
| C23 | C22 | C26 | 117.8° | 120.1° |
| C22 | C23 | H7 | 118.8° | 119.9° |
| C22 | C26 | C31 | 120.8° | 120.1° |
| C22 | C26 | C27 | 119.5° | 120.1° |
| O1 | C6 | C5 | 118.5° | 122.0° |
| O1 | C6 | N12 | 127.2° | 130.0° |
| C6 | C5 | C10 | 100.7° | 108.1° |
| C5 | C6 | N12 | 114.3° | 108.0° |
| C5 | C10 | C13 | 127.3° | 126.2° |
| C5 | C10 | N11 | 107.8° | 107.6° |
| C6 | N12 | N11 | 105.0° | 108.1° |
| C26 | C31 | C30 | 119.5° | 119.8° |
| C31 | C26 | C27 | 119.7° | 119.8° |
| C26 | C31 | H4 | 120.3° | 120.1° |
| C31 | C30 | F32 | 119.8° | 119.9° |
| C31 | C30 | C29 | 121.0° | 120.1° |
| C30 | C31 | H4 | 120.3° | 120.1° |
| C26 | C27 | C28 | 120.4° | 119.9° |
| C26 | C27 | H3 | 119.8° | 120.0° |
| C13 | C10 | N11 | 124.9° | 126.2° |
| C10 | C13 | H20 | 109.5° | 109.5° |
| C10 | C13 | H21 | 109.5° | 109.4° |
| C10 | C13 | H22 | 109.5° | 109.5° |
| C10 | N11 | N12 | 112.2° | 108.1° |
| C10 | N11 | H23 | 123.9° | 125.9° |
| F32 | C30 | C29 | 119.2° | 120.0° |
| N12 | N11 | H23 | 123.9° | 126.0° |
| C30 | C29 | C28 | 119.4° | 120.2° |
| C30 | C29 | H1 | 120.3° | 119.9° |
| C27 | C28 | C29 | 119.9° | 120.2° |
| C27 | C28 | H2 | 120.1° | 119.9° |
| C28 | C27 | H3 | 119.8° | 120.0° |
| C28 | C29 | H1 | 120.3° | 119.9° |
| C29 | C28 | H2 | 120.0° | 119.9° |
| H10 | N7 | H11 | 109.4° | 120.0° |
| H14 | C17 | H15 | 109.5° | 112.9° |
| H16 | C16 | H17 | 109.5° | 112.9° |
| H18 | C15 | H19 | 109.4° | 112.9° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C24 | C20 | C19 | 23.3° | 112.0° |
| N25 | C24 | C20 | C21 | 154.2° | 68.0° |
| N9 | C8 | C3 | C2 | 16.0° | 150.7° |
| N9 | C8 | C3 | C4 | 164.6° | 29.3° |
| C15 | C16 | C17 | H16 | 116.7° | 114.6° |
| C15 | C16 | C17 | H17 | 116.7° | 114.6° |
| C16 | C15 | C14 | H18 | 116.4° | 114.5° |
| C16 | C15 | C14 | H19 | 116.5° | 114.5° |
| C15 | C16 | C17 | C14 | 1.6° | 25.4° |
| C16 | C15 | C14 | C4 | 119.4° | 140.0° |
| C16 | C15 | C14 | H13 | 113.7° | 89.2° |
| C15 | C16 | C17 | H14 | 118.1° | 139.9° |
| C15 | C16 | C17 | H15 | 114.8° | 89.1° |
| C15 | C16 | H16 | H17 | 129.0° | 131.3° |
| C16 | C15 | H18 | H19 | 129.5° | 131.2° |
| C16 | C17 | C14 | H14 | 116.5° | 114.5° |
| C16 | C17 | C14 | H15 | 116.4° | 114.6° |
| C16 | C17 | C14 | C4 | 119.2° | 140.0° |
| C16 | C17 | C14 | H13 | 113.6° | 89.2° |
| C16 | C17 | H14 | H15 | 129.4° | 131.3° |
| C17 | C16 | H16 | H17 | 128.9° | 131.1° |
| C17 | C16 | C15 | H18 | 114.9° | 89.1° |
| C17 | C16 | C15 | H19 | 118.1° | 140.0° |
| C24 | C20 | C19 | C21 | 177.5° | 180.0° |
| C24 | C20 | C19 | C18 | 179.2° | 180.0° |
| C24 | C20 | C21 | C22 | 178.7° | 180.0° |
| C24 | C20 | C21 | H5 | 1.3° | 0.1° |
| C24 | C20 | C19 | H6 | 0.8° | 0.0° |
| C8 | C3 | C2 | N7 | 16.4° | 0.2° |
| C8 | C3 | C2 | C4 | 179.4° | 180.0° |
| C8 | C3 | C4 | C14 | 82.1° | 48.1° |
| C8 | C3 | C2 | O1 | 163.8° | 179.8° |
| C8 | C3 | C4 | C18 | 46.5° | 72.5° |
| C8 | C3 | C4 | C5 | 165.0° | 167.8° |
| C15 | C14 | C17 | C4 | 120.8° | 114.6° |
| C15 | C14 | C17 | H13 | 112.0° | 114.6° |
| C15 | C14 | C4 | C3 | 18.4° | 31.0° |
| C15 | C14 | C4 | H13 | 127.0° | 131.2° |
| C15 | C14 | C4 | C18 | 105.2° | 151.7° |
| C15 | C14 | C4 | C5 | 136.6° | 87.7° |
| C15 | C14 | C17 | H14 | 118.1° | 139.9° |
| C15 | C14 | C17 | H15 | 114.8° | 89.2° |
| C14 | C15 | C16 | H16 | 115.0° | 89.1° |
| C14 | C15 | C16 | H17 | 118.3° | 139.9° |
| C14 | C15 | H18 | H19 | 129.5° | 131.4° |
| C20 | C19 | C18 | H6 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.3° | 0.0° |
| C20 | C19 | C18 | C4 | 179.9° | 180.0° |
| C20 | C19 | C18 | C23 | 1.8° | 0.2° |
| C19 | C20 | C21 | H5 | 178.7° | 179.9° |
| C21 | C20 | C19 | C18 | 1.7° | 0.1° |
| C20 | C21 | C22 | H5 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 1.1° | 0.3° |
| C20 | C21 | C22 | C26 | 179.7° | 180.0° |
| C21 | C20 | C19 | H6 | 178.3° | 180.0° |
| C19 | C18 | C4 | C3 | 78.0° | 131.1° |
| C19 | C18 | C4 | C14 | 47.7° | 10.4° |
| C19 | C18 | C4 | C23 | 178.2° | 179.8° |
| C19 | C18 | C4 | C5 | 162.2° | 110.2° |
| C19 | C18 | C23 | C22 | 1.6° | 0.5° |
| C19 | C18 | C23 | H7 | 178.4° | 179.8° |
| N7 | C2 | C3 | O1 | 179.8° | 180.0° |
| N7 | C2 | C3 | C4 | 163.0° | 179.7° |
| N7 | C2 | O1 | C6 | 171.8° | 166.7° |
| C2 | N7 | H10 | H11 | 120.0° | 180.0° |
| C17 | C14 | C4 | C3 | 124.0° | 66.6° |
| C17 | C14 | C4 | H13 | 127.4° | 131.2° |
| C17 | C14 | C4 | C18 | 0.4° | 54.0° |
| C17 | C14 | C4 | C5 | 117.7° | 174.7° |
| C14 | C17 | H14 | H15 | 129.5° | 131.3° |
| C14 | C17 | C16 | H16 | 115.1° | 89.3° |
| C14 | C17 | C16 | H17 | 118.3° | 140.0° |
| C17 | C14 | C15 | H18 | 114.8° | 89.1° |
| C17 | C14 | C15 | H19 | 118.1° | 139.8° |
| C2 | C3 | C4 | C14 | 97.3° | 131.9° |
| C2 | C3 | C4 | C18 | 134.1° | 107.5° |
| C2 | C3 | C4 | C5 | 15.6° | 12.2° |
| C3 | C2 | O1 | C6 | 8.0° | 13.3° |
| C3 | C2 | N7 | H10 | 179.8° | 0.0° |
| C3 | C2 | N7 | H11 | 59.8° | 180.0° |
| C3 | C4 | C14 | C18 | 123.6° | 120.7° |
| C3 | C4 | C14 | C5 | 118.3° | 118.7° |
| C4 | C3 | C2 | O1 | 16.7° | 0.3° |
| C3 | C4 | C18 | C5 | 119.8° | 118.7° |
| C3 | C4 | C18 | C23 | 100.3° | 48.7° |
| C3 | C4 | C5 | C6 | 7.7° | 12.0° |
| C3 | C4 | C5 | C10 | 173.2° | 168.1° |
| C3 | C4 | C14 | H13 | 108.6° | 162.2° |
| C14 | C4 | C18 | C5 | 114.5° | 120.6° |
| C14 | C4 | C18 | C23 | 134.1° | 169.4° |
| C14 | C4 | C5 | C6 | 111.0° | 131.7° |
| C14 | C4 | C5 | C10 | 68.1° | 48.4° |
| C4 | C14 | C17 | H14 | 2.7° | 105.5° |
| C4 | C14 | C17 | H15 | 124.4° | 25.4° |
| C4 | C14 | C15 | H18 | 124.1° | 25.5° |
| C4 | C14 | C15 | H19 | 2.9° | 105.6° |
| C2 | O1 | C6 | C5 | 0.5° | 13.0° |
| C2 | O1 | C6 | N12 | 179.2° | 166.7° |
| O1 | C2 | N7 | H10 | 0.0° | 180.0° |
| O1 | C2 | N7 | H11 | 120.0° | 0.0° |
| C21 | C22 | C23 | C18 | 1.3° | 0.6° |
| C21 | C22 | C23 | C26 | 179.3° | 179.7° |
| C21 | C22 | C26 | C31 | 49.3° | 0.0° |
| C21 | C22 | C26 | C27 | 131.9° | 179.5° |
| C21 | C22 | C23 | H7 | 178.7° | 179.8° |
| C4 | C18 | C23 | C22 | 179.9° | 179.7° |
| C18 | C4 | C5 | C6 | 125.5° | 107.6° |
| C18 | C4 | C5 | C10 | 55.5° | 72.2° |
| C4 | C18 | C19 | H6 | 0.1° | 0.1° |
| C4 | C18 | C23 | H7 | 0.0° | 0.0° |
| C18 | C4 | C14 | H13 | 127.8° | 77.1° |
| C23 | C18 | C4 | C5 | 19.6° | 70.0° |
| C18 | C23 | C22 | H7 | 180.0° | 179.6° |
| C18 | C23 | C22 | C26 | 179.4° | 179.7° |
| C23 | C18 | C19 | H6 | 178.2° | 179.7° |
| C4 | C5 | C6 | O1 | 0.3° | 0.3° |
| C4 | C5 | C6 | C10 | 179.3° | 179.9° |
| C4 | C5 | C6 | N12 | 179.9° | 179.9° |
| C4 | C5 | C10 | C13 | 1.1° | 0.2° |
| C4 | C5 | C10 | N11 | 179.5° | 179.9° |
| C5 | C4 | C14 | H13 | 9.6° | 43.5° |
| C23 | C22 | C26 | C31 | 130.0° | 179.7° |
| C23 | C22 | C26 | C27 | 48.9° | 0.8° |
| C23 | C22 | C21 | H5 | 178.9° | 179.8° |
| C22 | C26 | C31 | C27 | 178.8° | 179.5° |
| C22 | C26 | C31 | C30 | 179.5° | 180.0° |
| C22 | C26 | C27 | C28 | 179.5° | 179.7° |
| C22 | C26 | C27 | H3 | 0.4° | 0.3° |
| C22 | C26 | C31 | H4 | 0.5° | 0.4° |
| C26 | C22 | C21 | H5 | 0.3° | 0.1° |
| C26 | C22 | C23 | H7 | 0.6° | 0.1° |
| O1 | C6 | C5 | N12 | 179.8° | 179.8° |
| O1 | C6 | C5 | C10 | 179.6° | 179.8° |
| O1 | C6 | N12 | N11 | 179.6° | 179.8° |
| C6 | C5 | C10 | C13 | 179.7° | 179.9° |
| C6 | C5 | C10 | N11 | 0.3° | 0.0° |
| C5 | C6 | N12 | N11 | 0.7° | 0.0° |
| C10 | C5 | C6 | N12 | 0.6° | 0.0° |
| C5 | C10 | C13 | N11 | 179.2° | 179.9° |
| C5 | C10 | N11 | N12 | 0.0° | 0.0° |
| C5 | C10 | C13 | H20 | 90.4° | 90.0° |
| C5 | C10 | C13 | H21 | 149.6° | 150.0° |
| C5 | C10 | C13 | H22 | 29.6° | 30.1° |
| C5 | C10 | N11 | H23 | 180.0° | 179.9° |
| C6 | N12 | N11 | C10 | 0.4° | 0.0° |
| C6 | N12 | N11 | H23 | 179.6° | 179.9° |
| C26 | C31 | C30 | H4 | 180.0° | 179.6° |
| C26 | C31 | C30 | F32 | 179.4° | 179.8° |
| C26 | C31 | C30 | C29 | 0.3° | 0.5° |
| C31 | C26 | C27 | C28 | 0.7° | 0.2° |
| C31 | C26 | C27 | H3 | 179.3° | 179.8° |
| C30 | C31 | C26 | C27 | 0.7° | 0.5° |
| C31 | C30 | F32 | C29 | 179.7° | 179.6° |
| C31 | C30 | C29 | C28 | 0.0° | 0.3° |
| C31 | C30 | C29 | H1 | 180.0° | 179.8° |
| C26 | C27 | C28 | H3 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C26 | C27 | C28 | H2 | 179.7° | 180.0° |
| C27 | C26 | C31 | H4 | 179.4° | 179.9° |
| C13 | C10 | N11 | N12 | 179.3° | 179.9° |
| C10 | C13 | H20 | H21 | 120.0° | 119.9° |
| C10 | C13 | H20 | H22 | 120.0° | 120.0° |
| C10 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C10 | N11 | H23 | 0.7° | 0.2° |
| C10 | N11 | N12 | H23 | 180.0° | 179.9° |
| N11 | C10 | C13 | H20 | 90.4° | 89.9° |
| N11 | C10 | C13 | H21 | 29.6° | 30.1° |
| N11 | C10 | C13 | H22 | 149.6° | 150.0° |
| F32 | C30 | C29 | C28 | 179.7° | 180.0° |
| F32 | C30 | C29 | H1 | 0.3° | 0.1° |
| F32 | C30 | C31 | H4 | 0.6° | 0.3° |
| C30 | C29 | C28 | C27 | 0.0° | 0.0° |
| C30 | C29 | C28 | H1 | 180.0° | 179.9° |
| C30 | C29 | C28 | H2 | 180.0° | 180.0° |
| C29 | C30 | C31 | H4 | 179.7° | 179.9° |
| C27 | C28 | C29 | H2 | 180.0° | 180.0° |
| C27 | C28 | C29 | H1 | 180.0° | 180.0° |
| C29 | C28 | C27 | H3 | 179.6° | 179.9° |
| H1 | C29 | C28 | H2 | 0.0° | 0.1° |
| H2 | C28 | C27 | H3 | 0.4° | 0.1° |
| H13 | C14 | C17 | H14 | 129.9° | 25.3° |
| H13 | C14 | C17 | H15 | 2.8° | 156.2° |
| H13 | C14 | C15 | H18 | 2.8° | 156.3° |
| H13 | C14 | C15 | H19 | 129.9° | 25.2° |
| H14 | C17 | C16 | H16 | 1.4° | 25.3° |
| H14 | C17 | C16 | H17 | 125.2° | 105.5° |
| H15 | C17 | C16 | H16 | 128.5° | 156.2° |
| H15 | C17 | C16 | H17 | 1.8° | 25.4° |
| H16 | C16 | C15 | H18 | 128.5° | 156.4° |
| H16 | C16 | C15 | H19 | 1.5° | 25.5° |
| H17 | C16 | C15 | H18 | 1.8° | 25.4° |
| H17 | C16 | C15 | H19 | 125.2° | 105.5° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
