E32
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C2 | sing | 1.55Å | 1.52Å | |
| C5 | N6 | sing | 1.49Å | 1.45Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| C2 | C7 | sing | 1.54Å | 1.53Å | |
| N6 | C7 | sing | 1.48Å | 1.46Å | |
| N6 | C8 | sing | 1.40Å | 1.42Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| N11 | C10 | sing | 1.39Å | 1.40Å | |
| N11 | C15 | sing | 1.35Å | 1.40Å | |
| O16 | C15 | doub | 1.22Å | 1.25Å | |
| C8 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.47Å | 1.38Å | |
| C24 | F25 | sing | 1.35Å | 1.32Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N21 | sing | 1.40Å | 1.39Å | |
| C17 | N21 | sing | 1.37Å | 1.36Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| N21 | C20 | sing | 1.36Å | 1.36Å | Aromatic |
| N18 | C19 | sing | 1.33Å | 1.36Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 60.0° | 60.0° |
| C13 | C14 | C12 | 59.8° | 60.0° |
| C13 | C14 | H14 | 120.0° | 117.5° |
| C13 | C14 | H15 | 120.0° | 117.5° |
| C14 | C13 | H16 | 120.0° | 117.5° |
| C14 | C13 | H17 | 120.0° | 117.5° |
| C13 | C12 | C14 | 60.2° | 60.0° |
| C13 | C12 | N11 | 123.0° | 117.5° |
| C13 | C12 | H13 | 114.2° | 117.5° |
| C12 | C13 | H16 | 120.0° | 117.5° |
| C12 | C13 | H17 | 120.0° | 117.5° |
| C14 | C12 | N11 | 118.9° | 117.5° |
| C14 | C12 | H13 | 114.1° | 117.5° |
| C12 | C14 | H14 | 120.0° | 117.5° |
| C12 | C14 | H15 | 120.1° | 117.5° |
| C5 | C4 | C2 | 106.3° | 102.9° |
| C4 | C5 | N6 | 102.8° | 103.2° |
| C4 | C5 | H2 | 111.1° | 110.7° |
| C4 | C5 | H3 | 111.1° | 110.8° |
| C5 | C4 | H10 | 110.2° | 110.7° |
| C5 | C4 | H11 | 110.3° | 110.7° |
| C4 | C2 | N1 | 108.3° | 110.4° |
| C4 | C2 | C7 | 106.9° | 105.1° |
| C4 | C2 | H6 | 109.5° | 110.3° |
| C2 | C4 | H10 | 110.3° | 110.7° |
| C2 | C4 | H11 | 110.2° | 110.7° |
| C5 | N6 | C7 | 112.1° | 105.8° |
| C5 | N6 | C8 | 121.1° | 111.0° |
| N6 | C5 | H2 | 111.1° | 110.6° |
| N6 | C5 | H3 | 111.1° | 110.7° |
| N1 | C2 | C7 | 112.6° | 110.3° |
| N1 | C2 | H6 | 110.1° | 110.3° |
| C2 | N1 | H7 | 109.5° | 111.0° |
| C2 | N1 | H8 | 109.5° | 111.1° |
| C12 | N11 | C10 | 117.1° | 119.8° |
| C12 | N11 | C15 | 122.0° | 119.8° |
| N11 | C12 | H13 | 115.2° | 115.6° |
| C2 | C7 | N6 | 99.8° | 107.1° |
| C2 | C7 | H4 | 111.8° | 110.0° |
| C2 | C7 | H5 | 111.8° | 110.1° |
| C7 | C2 | H6 | 109.4° | 110.3° |
| C7 | N6 | C8 | 126.8° | 111.0° |
| N6 | C7 | H4 | 111.8° | 109.9° |
| N6 | C7 | H5 | 111.8° | 109.9° |
| N6 | C8 | C9 | 117.6° | 120.0° |
| N6 | C8 | C24 | 124.2° | 119.9° |
| C8 | C9 | C10 | 121.6° | 120.1° |
| C9 | C8 | C24 | 118.2° | 120.1° |
| C8 | C9 | H12 | 119.2° | 120.0° |
| C9 | C10 | N11 | 120.2° | 119.7° |
| C9 | C10 | C22 | 118.7° | 119.8° |
| C10 | C9 | H12 | 119.2° | 120.0° |
| C10 | N11 | C15 | 120.7° | 120.4° |
| N11 | C10 | C22 | 121.1° | 120.5° |
| N11 | C15 | O16 | 122.1° | 120.2° |
| N11 | C15 | C17 | 117.2° | 119.6° |
| O16 | C15 | C17 | 120.7° | 120.3° |
| C8 | C24 | F25 | 119.9° | 119.9° |
| C8 | C24 | C23 | 122.2° | 120.1° |
| C10 | C22 | C23 | 121.3° | 119.9° |
| C10 | C22 | N21 | 116.9° | 120.2° |
| C15 | C17 | N21 | 121.7° | 119.3° |
| C15 | C17 | N18 | 130.0° | 132.5° |
| F25 | C24 | C23 | 118.0° | 120.0° |
| C24 | C23 | C22 | 118.0° | 120.1° |
| C24 | C23 | H1 | 121.0° | 119.9° |
| C23 | C22 | N21 | 121.8° | 119.8° |
| C22 | C23 | H1 | 121.0° | 119.9° |
| C22 | N21 | C17 | 122.4° | 119.9° |
| C22 | N21 | C20 | 127.1° | 132.9° |
| N21 | C17 | N18 | 108.2° | 108.2° |
| C17 | N21 | C20 | 110.5° | 107.2° |
| C17 | N18 | C19 | 107.0° | 109.2° |
| N21 | C20 | C19 | 104.1° | 107.0° |
| N21 | C20 | H18 | 127.9° | 126.5° |
| N18 | C19 | C20 | 110.2° | 108.5° |
| N18 | C19 | H19 | 124.9° | 125.8° |
| C19 | C20 | H18 | 127.9° | 126.5° |
| C20 | C19 | H19 | 124.9° | 125.7° |
| H2 | C5 | H3 | 109.5° | 110.6° |
| H4 | C7 | H5 | 109.5° | 109.8° |
| H7 | N1 | H8 | 109.4° | 111.0° |
| H10 | C4 | H11 | 109.5° | 110.8° |
| H14 | C14 | H15 | 109.4° | 115.5° |
| H16 | C13 | H17 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H16 | 109.5° | 107.5° |
| C14 | C13 | C12 | H17 | 109.4° | 107.5° |
| C13 | C14 | C12 | H14 | 109.4° | 107.5° |
| C13 | C14 | C12 | H15 | 109.4° | 107.5° |
| C14 | C13 | C12 | N11 | 107.0° | 107.5° |
| C14 | C13 | C12 | H13 | 105.1° | 107.5° |
| C13 | C14 | H14 | H15 | 144.8° | 145.7° |
| C14 | C13 | H16 | H17 | 144.7° | 145.7° |
| C13 | C12 | N11 | H13 | 147.7° | 145.7° |
| C13 | C12 | N11 | C10 | 66.7° | 133.2° |
| C13 | C12 | N11 | C15 | 117.4° | 46.8° |
| C12 | C13 | H16 | H17 | 144.8° | 145.7° |
| C14 | C12 | N11 | H13 | 140.9° | 145.7° |
| C14 | C12 | N11 | C10 | 138.2° | 64.5° |
| C14 | C12 | N11 | C15 | 46.0° | 115.5° |
| C12 | C14 | H14 | H15 | 144.9° | 145.7° |
| C5 | C4 | C2 | H10 | 119.5° | 118.4° |
| C5 | C4 | C2 | H11 | 119.5° | 118.4° |
| C4 | C5 | N6 | H2 | 118.9° | 118.5° |
| C4 | C5 | N6 | H3 | 118.9° | 118.6° |
| C5 | C4 | C2 | N1 | 133.0° | 140.9° |
| C5 | C4 | C2 | C7 | 11.5° | 21.9° |
| C4 | C5 | N6 | C7 | 29.9° | 39.2° |
| C4 | C5 | N6 | C8 | 149.6° | 159.7° |
| C4 | C5 | H2 | H3 | 123.1° | 123.2° |
| C5 | C4 | C2 | H6 | 106.9° | 96.9° |
| C5 | C4 | H10 | H11 | 121.5° | 123.2° |
| C2 | C4 | C5 | N6 | 9.7° | 37.4° |
| C4 | C2 | N1 | C7 | 118.0° | 115.8° |
| C4 | C2 | N1 | H6 | 119.7° | 122.2° |
| C4 | C2 | C7 | H6 | 118.5° | 118.9° |
| C4 | C2 | C7 | N6 | 27.6° | 1.3° |
| C2 | C4 | C5 | H2 | 128.6° | 155.9° |
| C2 | C4 | C5 | H3 | 109.2° | 81.1° |
| C4 | C2 | C7 | H4 | 90.9° | 118.1° |
| C4 | C2 | C7 | H5 | 146.0° | 120.7° |
| C4 | C2 | N1 | H7 | 180.0° | 64.2° |
| C4 | C2 | N1 | H8 | 60.0° | 171.8° |
| C2 | C4 | H10 | H11 | 121.4° | 123.2° |
| C5 | N6 | C7 | C2 | 36.4° | 25.4° |
| C5 | N6 | C7 | C8 | 179.4° | 120.5° |
| C5 | N6 | C8 | C9 | 33.3° | 57.4° |
| C5 | N6 | C8 | C24 | 146.7° | 122.7° |
| N6 | C5 | H2 | H3 | 123.1° | 123.0° |
| C5 | N6 | C7 | H4 | 82.0° | 94.1° |
| C5 | N6 | C7 | H5 | 154.7° | 144.9° |
| N6 | C5 | C4 | H10 | 129.2° | 80.9° |
| N6 | C5 | C4 | H11 | 109.8° | 155.8° |
| N1 | C2 | C7 | H6 | 122.8° | 122.1° |
| N1 | C2 | C7 | N6 | 146.3° | 117.8° |
| N1 | C2 | C7 | H4 | 27.9° | 122.8° |
| N1 | C2 | C7 | H5 | 95.2° | 1.7° |
| C2 | N1 | H7 | H8 | 120.0° | 124.0° |
| N1 | C2 | C4 | H10 | 13.5° | 22.5° |
| N1 | C2 | C4 | H11 | 107.5° | 100.7° |
| C12 | N11 | C10 | C9 | 3.5° | 0.0° |
| C12 | N11 | C10 | C15 | 175.9° | 180.0° |
| C12 | N11 | C15 | O16 | 2.6° | 0.0° |
| C12 | N11 | C10 | C22 | 177.4° | 179.8° |
| C12 | N11 | C15 | C17 | 176.8° | 180.0° |
| N11 | C12 | C14 | H14 | 4.2° | 145.0° |
| N11 | C12 | C14 | H15 | 137.0° | 0.0° |
| N11 | C12 | C13 | H16 | 143.5° | 0.0° |
| N11 | C12 | C13 | H17 | 2.4° | 145.0° |
| C2 | C7 | N6 | H4 | 118.4° | 119.4° |
| C2 | C7 | N6 | H5 | 118.4° | 119.5° |
| C2 | C7 | N6 | C8 | 143.1° | 145.9° |
| C2 | C7 | H4 | H5 | 124.5° | 121.3° |
| C7 | C2 | N1 | H7 | 62.0° | 180.0° |
| C7 | C2 | N1 | H8 | 58.0° | 56.0° |
| C7 | C2 | C4 | H10 | 108.0° | 96.4° |
| C7 | C2 | C4 | H11 | 131.0° | 140.3° |
| C7 | N6 | C8 | C9 | 147.3° | 60.0° |
| C7 | N6 | C8 | C24 | 32.6° | 120.0° |
| C7 | N6 | C5 | H2 | 148.8° | 157.7° |
| C7 | N6 | C5 | H3 | 89.0° | 79.4° |
| N6 | C7 | H4 | H5 | 124.5° | 121.1° |
| N6 | C7 | C2 | H6 | 90.9° | 120.1° |
| N6 | C8 | C9 | C24 | 180.0° | 180.0° |
| N6 | C8 | C9 | C10 | 180.0° | 180.0° |
| N6 | C8 | C24 | F25 | 0.4° | 0.0° |
| N6 | C8 | C24 | C23 | 179.6° | 179.8° |
| C8 | N6 | C5 | H2 | 30.7° | 81.8° |
| C8 | N6 | C5 | H3 | 91.5° | 41.1° |
| C8 | N6 | C7 | H4 | 98.5° | 26.4° |
| C8 | N6 | C7 | H5 | 24.7° | 94.6° |
| N6 | C8 | C9 | H12 | 0.0° | 0.0° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 179.0° | 180.0° |
| C8 | C9 | C10 | C22 | 0.1° | 0.3° |
| C9 | C8 | C24 | F25 | 179.6° | 180.0° |
| C9 | C8 | C24 | C23 | 0.3° | 0.2° |
| C9 | C10 | N11 | C22 | 179.1° | 179.7° |
| C9 | C10 | N11 | C15 | 179.4° | 180.0° |
| C10 | C9 | C8 | C24 | 0.1° | 0.0° |
| C9 | C10 | C22 | C23 | 0.2° | 0.2° |
| C9 | C10 | C22 | N21 | 179.9° | 179.8° |
| C10 | N11 | C15 | O16 | 178.3° | 180.0° |
| C10 | N11 | C15 | C17 | 1.1° | 0.0° |
| N11 | C10 | C22 | C23 | 179.4° | 179.9° |
| N11 | C10 | C22 | N21 | 0.9° | 0.4° |
| N11 | C10 | C9 | H12 | 0.9° | 0.0° |
| C10 | N11 | C12 | H13 | 80.9° | 81.1° |
| N11 | C15 | O16 | C17 | 179.4° | 180.0° |
| C15 | N11 | C10 | C22 | 1.5° | 0.2° |
| N11 | C15 | C17 | N21 | 0.3° | 0.0° |
| N11 | C15 | C17 | N18 | 179.8° | 180.0° |
| C15 | N11 | C12 | H13 | 94.9° | 98.9° |
| O16 | C15 | C17 | N21 | 179.1° | 180.0° |
| O16 | C15 | C17 | N18 | 0.3° | 0.0° |
| C8 | C24 | F25 | C23 | 180.0° | 179.8° |
| C8 | C24 | C23 | C22 | 0.6° | 0.3° |
| C8 | C24 | C23 | H1 | 179.3° | 179.8° |
| C24 | C8 | C9 | H12 | 180.0° | 180.0° |
| C10 | C22 | C23 | C24 | 0.6° | 0.1° |
| C10 | C22 | C23 | N21 | 179.7° | 179.7° |
| C10 | C22 | N21 | C17 | 0.1° | 0.4° |
| C10 | C22 | N21 | C20 | 179.7° | 179.8° |
| C10 | C22 | C23 | H1 | 179.4° | 180.0° |
| C22 | C10 | C9 | H12 | 179.9° | 179.8° |
| C15 | C17 | N21 | C22 | 0.2° | 0.1° |
| C15 | C17 | N21 | N18 | 179.5° | 180.0° |
| C15 | C17 | N21 | C20 | 180.0° | 180.0° |
| C15 | C17 | N18 | C19 | 179.8° | 180.0° |
| F25 | C24 | C23 | C22 | 179.3° | 179.9° |
| F25 | C24 | C23 | H1 | 0.7° | 0.0° |
| C24 | C23 | C22 | H1 | 180.0° | 179.9° |
| C24 | C23 | C22 | N21 | 179.7° | 179.6° |
| C23 | C22 | N21 | C17 | 179.8° | 180.0° |
| C23 | C22 | N21 | C20 | 0.0° | 0.1° |
| C22 | N21 | C17 | C20 | 179.9° | 179.9° |
| C22 | N21 | C17 | N18 | 179.4° | 179.8° |
| C22 | N21 | C20 | C19 | 179.8° | 179.8° |
| N21 | C22 | C23 | H1 | 0.3° | 0.4° |
| C22 | N21 | C20 | H18 | 0.1° | 0.2° |
| N21 | C17 | N18 | C19 | 0.7° | 0.0° |
| C17 | N21 | C20 | C19 | 0.0° | 0.1° |
| C17 | N21 | C20 | H18 | 180.0° | 179.9° |
| N18 | C17 | N21 | C20 | 0.5° | 0.1° |
| C17 | N18 | C19 | C20 | 0.8° | 0.0° |
| C17 | N18 | C19 | H19 | 179.2° | 179.9° |
| N21 | C20 | C19 | N18 | 0.5° | 0.0° |
| N21 | C20 | C19 | H18 | 180.0° | 180.0° |
| N21 | C20 | C19 | H19 | 179.5° | 179.9° |
| N18 | C19 | C20 | H19 | 180.0° | 179.9° |
| N18 | C19 | C20 | H18 | 179.5° | 180.0° |
| H2 | C5 | C4 | H10 | 111.9° | 37.5° |
| H2 | C5 | C4 | H11 | 9.1° | 85.8° |
| H3 | C5 | C4 | H10 | 10.3° | 160.5° |
| H3 | C5 | C4 | H11 | 131.3° | 37.3° |
| H4 | C7 | C2 | H6 | 150.7° | 0.7° |
| H5 | C7 | C2 | H6 | 27.5° | 120.4° |
| H6 | C2 | N1 | H7 | 60.3° | 57.9° |
| H6 | C2 | N1 | H8 | 179.7° | 66.0° |
| H6 | C2 | C4 | H10 | 133.6° | 144.7° |
| H6 | C2 | C4 | H11 | 12.6° | 21.5° |
| H13 | C12 | C14 | H14 | 145.5° | 0.0° |
| H13 | C12 | C14 | H15 | 4.3° | 145.0° |
| H13 | C12 | C13 | H16 | 4.4° | 145.0° |
| H13 | C12 | C13 | H17 | 145.5° | 0.0° |
| H14 | C14 | C13 | H16 | 141.1° | 145.0° |
| H14 | C14 | C13 | H17 | 0.1° | 0.0° |
| H15 | C14 | C13 | H16 | 0.0° | 0.0° |
| H15 | C14 | C13 | H17 | 141.1° | 145.0° |
| H18 | C20 | C19 | H19 | 0.5° | 0.1° |
