09G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C7 | sing | 1.49Å | 1.46Å | |
| N10 | C13 | sing | 1.48Å | 1.46Å | |
| C3 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C4 | sing | 1.55Å | 1.50Å | |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| C13 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C2 | sing | 1.54Å | 1.50Å | |
| C1 | C2 | sing | 1.50Å | 1.48Å | |
| C1 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| C8 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | O12 | doub | 1.21Å | 1.22Å | |
| C9 | O11 | sing | 1.34Å | 1.36Å | |
| C2 | C14 | sing | 1.50Å | 1.50Å | |
| O11 | C18 | sing | 1.45Å | 1.43Å | |
| BR2 | C21 | sing | 1.89Å | 1.88Å | |
| C17 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.39Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.49Å | |
| C14 | N16 | sing | 1.35Å | 1.38Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C25 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | N26 | trip | 1.14Å | 1.16Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| N10 | H16 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N10 | C13 | 107.8° | 105.8° |
| N10 | C7 | C4 | 106.4° | 103.3° |
| N10 | C7 | C9 | 108.0° | 110.6° |
| N10 | C7 | H12 | 112.3° | 110.8° |
| C7 | N10 | H16 | 110.1° | 111.0° |
| N10 | C13 | C2 | 105.9° | 106.7° |
| N10 | C13 | H10 | 110.7° | 110.0° |
| N10 | C13 | H11 | 110.7° | 110.1° |
| C13 | N10 | H16 | 110.0° | 111.0° |
| C5 | C3 | C1 | 117.7° | 120.1° |
| C3 | C5 | C8 | 120.6° | 119.8° |
| C3 | C5 | H1 | 119.7° | 120.1° |
| C5 | C3 | H4 | 121.2° | 120.0° |
| C3 | C1 | C2 | 129.0° | 133.5° |
| C3 | C1 | C17 | 121.3° | 120.6° |
| C1 | C3 | H4 | 121.1° | 119.9° |
| C5 | C8 | C6 | 121.3° | 120.3° |
| C8 | C5 | H1 | 119.7° | 120.1° |
| C5 | C8 | H2 | 119.4° | 119.8° |
| C4 | C7 | C9 | 109.2° | 110.6° |
| C7 | C4 | C2 | 104.7° | 102.7° |
| C7 | C4 | H8 | 111.1° | 110.8° |
| C7 | C4 | H9 | 111.1° | 111.0° |
| C4 | C7 | H12 | 111.2° | 110.7° |
| C7 | C9 | O12 | 124.7° | 120.0° |
| C7 | C9 | O11 | 110.5° | 120.0° |
| C9 | C7 | H12 | 109.6° | 110.6° |
| C13 | C2 | C4 | 107.7° | 106.0° |
| C13 | C2 | C1 | 113.2° | 111.6° |
| C13 | C2 | C14 | 112.1° | 111.6° |
| C2 | C13 | H10 | 110.6° | 110.0° |
| C2 | C13 | H11 | 110.7° | 110.0° |
| C4 | C2 | C1 | 113.2° | 111.3° |
| C4 | C2 | C14 | 108.5° | 111.3° |
| C2 | C4 | H8 | 111.1° | 110.7° |
| C2 | C4 | H9 | 111.1° | 110.8° |
| C2 | C1 | C17 | 109.7° | 105.9° |
| C1 | C2 | C14 | 102.1° | 105.1° |
| C1 | C17 | C6 | 121.9° | 119.0° |
| C1 | C17 | N16 | 110.4° | 110.2° |
| C8 | C6 | C17 | 117.3° | 120.2° |
| C6 | C8 | H2 | 119.4° | 119.9° |
| C8 | C6 | H6 | 121.4° | 119.9° |
| O12 | C9 | O11 | 124.7° | 120.0° |
| C9 | O11 | C18 | 111.4° | 117.0° |
| C2 | C14 | N16 | 108.6° | 106.7° |
| C2 | C14 | O15 | 123.9° | 126.7° |
| O11 | C18 | C19 | 104.4° | 109.5° |
| O11 | C18 | H13 | 111.2° | 109.5° |
| O11 | C18 | H14 | 111.2° | 109.4° |
| BR2 | C21 | C20 | 117.0° | 120.1° |
| BR2 | C21 | C22 | 121.5° | 120.1° |
| C6 | C17 | N16 | 127.8° | 130.8° |
| C17 | C6 | H6 | 121.4° | 119.9° |
| C17 | N16 | C14 | 109.0° | 112.1° |
| C17 | N16 | H15 | 125.5° | 123.8° |
| C21 | C20 | C19 | 119.5° | 120.1° |
| C20 | C21 | C22 | 121.4° | 119.8° |
| C21 | C20 | H7 | 120.3° | 119.9° |
| C20 | C19 | C18 | 116.8° | 119.8° |
| C20 | C19 | C24 | 119.8° | 120.3° |
| C19 | C20 | H7 | 120.2° | 119.9° |
| C18 | C19 | C24 | 123.4° | 119.8° |
| C19 | C18 | H13 | 111.2° | 109.5° |
| C19 | C18 | H14 | 111.2° | 109.5° |
| N16 | C14 | O15 | 127.5° | 126.6° |
| C14 | N16 | H15 | 125.5° | 124.0° |
| C21 | C22 | C25 | 119.7° | 120.2° |
| C21 | C22 | C23 | 118.9° | 119.7° |
| C19 | C24 | C23 | 120.6° | 120.2° |
| C19 | C24 | H5 | 119.7° | 119.9° |
| C25 | C22 | C23 | 121.3° | 120.1° |
| C22 | C25 | N26 | 173.9° | 180.0° |
| C22 | C23 | C24 | 119.8° | 119.8° |
| C22 | C23 | H3 | 120.1° | 120.1° |
| C24 | C23 | H3 | 120.1° | 120.1° |
| C23 | C24 | H5 | 119.7° | 119.9° |
| H8 | C4 | H9 | 107.8° | 110.7° |
| H10 | C13 | H11 | 108.3° | 110.0° |
| H13 | C18 | H14 | 107.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N10 | C13 | H16 | 120.0° | 120.5° |
| N10 | C7 | C4 | C9 | 116.4° | 118.4° |
| N10 | C7 | C4 | H12 | 122.6° | 118.6° |
| N10 | C7 | C9 | H12 | 122.7° | 123.1° |
| C7 | N10 | C13 | C2 | 21.9° | 25.1° |
| N10 | C7 | C4 | C2 | 23.4° | 36.7° |
| N10 | C7 | C9 | O12 | 2.3° | 13.9° |
| N10 | C7 | C9 | O11 | 174.2° | 166.1° |
| N10 | C7 | C4 | H8 | 96.6° | 154.9° |
| N10 | C7 | C4 | H9 | 143.4° | 81.7° |
| C7 | N10 | C13 | H10 | 98.1° | 94.2° |
| C7 | N10 | C13 | H11 | 141.9° | 144.5° |
| C13 | N10 | C7 | C4 | 28.7° | 38.7° |
| C13 | N10 | C7 | C9 | 88.5° | 157.1° |
| N10 | C13 | C2 | H10 | 120.0° | 119.3° |
| N10 | C13 | C2 | H11 | 120.0° | 119.4° |
| N10 | C13 | C2 | C4 | 6.8° | 1.4° |
| N10 | C13 | C2 | C1 | 119.0° | 122.9° |
| N10 | C13 | C2 | C14 | 126.1° | 119.9° |
| N10 | C13 | H10 | H11 | 121.4° | 121.4° |
| C13 | N10 | C7 | H12 | 150.5° | 79.9° |
| C5 | C3 | C1 | H4 | 180.0° | 179.9° |
| C3 | C5 | C8 | H1 | 180.0° | 179.7° |
| C5 | C3 | C1 | C2 | 179.9° | 180.0° |
| C5 | C3 | C1 | C17 | 0.0° | 0.5° |
| C3 | C5 | C8 | C6 | 1.5° | 0.2° |
| C3 | C5 | C8 | H2 | 178.5° | 179.8° |
| C1 | C3 | C5 | C8 | 0.7° | 0.0° |
| C3 | C1 | C2 | C13 | 55.5° | 59.0° |
| C3 | C1 | C2 | C4 | 67.4° | 59.3° |
| C3 | C1 | C2 | C17 | 179.9° | 179.6° |
| C3 | C1 | C2 | C14 | 176.2° | 179.9° |
| C3 | C1 | C17 | C6 | 0.0° | 0.7° |
| C3 | C1 | C17 | N16 | 179.3° | 179.9° |
| C1 | C3 | C5 | H1 | 179.3° | 179.8° |
| C5 | C8 | C6 | H2 | 180.0° | 180.0° |
| C5 | C8 | C6 | C17 | 1.4° | 0.1° |
| C8 | C5 | C3 | H4 | 179.3° | 180.0° |
| C5 | C8 | C6 | H6 | 178.5° | 180.0° |
| C4 | C7 | C9 | H12 | 122.0° | 123.0° |
| C7 | C4 | C2 | C13 | 10.1° | 21.5° |
| C7 | C4 | C2 | H8 | 120.0° | 118.3° |
| C7 | C4 | C2 | H9 | 120.0° | 118.5° |
| C7 | C4 | C2 | C1 | 136.0° | 100.2° |
| C4 | C7 | C9 | O12 | 113.0° | 100.0° |
| C4 | C7 | C9 | O11 | 70.5° | 80.1° |
| C7 | C4 | C2 | C14 | 111.5° | 143.0° |
| C7 | C4 | H8 | H9 | 122.0° | 123.5° |
| C4 | C7 | N10 | H16 | 148.7° | 81.8° |
| C9 | C7 | C4 | C2 | 92.9° | 155.1° |
| C7 | C9 | O12 | O11 | 175.9° | 180.0° |
| C7 | C9 | O11 | C18 | 168.0° | 180.0° |
| C9 | C7 | C4 | H8 | 147.1° | 86.7° |
| C9 | C7 | C4 | H9 | 27.0° | 36.7° |
| C9 | C7 | N10 | H16 | 31.5° | 36.6° |
| C13 | C2 | C4 | C1 | 125.9° | 121.6° |
| C13 | C2 | C4 | C14 | 121.6° | 121.5° |
| C13 | C2 | C1 | C14 | 120.7° | 121.1° |
| C13 | C2 | C1 | C17 | 124.4° | 120.6° |
| C13 | C2 | C14 | N16 | 127.0° | 120.7° |
| C13 | C2 | C14 | O15 | 54.1° | 59.2° |
| C13 | C2 | C4 | H8 | 109.9° | 139.7° |
| C13 | C2 | C4 | H9 | 130.1° | 97.1° |
| C2 | C13 | H10 | H11 | 121.5° | 121.3° |
| C2 | C13 | N10 | H16 | 141.9° | 95.4° |
| C4 | C2 | C1 | C14 | 116.4° | 120.6° |
| C4 | C2 | C1 | C17 | 112.7° | 121.1° |
| C4 | C2 | C14 | N16 | 114.1° | 121.1° |
| C4 | C2 | C14 | O15 | 64.8° | 59.0° |
| C2 | C4 | H8 | H9 | 121.9° | 123.2° |
| C4 | C2 | C13 | H10 | 113.2° | 117.9° |
| C4 | C2 | C13 | H11 | 126.8° | 120.8° |
| C2 | C4 | C7 | H12 | 146.0° | 81.9° |
| C2 | C1 | C17 | C6 | 180.0° | 179.6° |
| C2 | C1 | C17 | N16 | 0.6° | 0.5° |
| C1 | C2 | C14 | N16 | 5.6° | 0.4° |
| C1 | C2 | C14 | O15 | 175.5° | 179.6° |
| C2 | C1 | C3 | H4 | 0.1° | 0.0° |
| C1 | C2 | C4 | H8 | 16.0° | 18.1° |
| C1 | C2 | C4 | H9 | 104.0° | 141.3° |
| C1 | C2 | C13 | H10 | 120.9° | 3.6° |
| C1 | C2 | C13 | H11 | 0.9° | 117.7° |
| C1 | C17 | C6 | C8 | 0.7° | 0.5° |
| C17 | C1 | C2 | C14 | 3.7° | 0.5° |
| C1 | C17 | C6 | N16 | 179.2° | 179.0° |
| C1 | C17 | N16 | C14 | 3.2° | 0.2° |
| C17 | C1 | C3 | H4 | 180.0° | 179.5° |
| C1 | C17 | C6 | H6 | 179.3° | 179.6° |
| C1 | C17 | N16 | H15 | 176.8° | 179.9° |
| C8 | C6 | C17 | H6 | 180.0° | 179.9° |
| C8 | C6 | C17 | N16 | 179.9° | 179.5° |
| C6 | C8 | C5 | H1 | 178.5° | 180.0° |
| O12 | C9 | O11 | C18 | 15.6° | 0.0° |
| O12 | C9 | C7 | H12 | 125.0° | 137.0° |
| C9 | O11 | C18 | C19 | 165.6° | 180.0° |
| O11 | C9 | C7 | H12 | 51.5° | 42.9° |
| C9 | O11 | C18 | H13 | 74.4° | 60.0° |
| C9 | O11 | C18 | H14 | 45.6° | 60.1° |
| C2 | C14 | N16 | C17 | 5.6° | 0.2° |
| C2 | C14 | N16 | O15 | 178.8° | 179.9° |
| C14 | C2 | C4 | H8 | 128.5° | 98.8° |
| C14 | C2 | C4 | H9 | 8.5° | 24.4° |
| C14 | C2 | C13 | H10 | 6.1° | 120.8° |
| C14 | C2 | C13 | H11 | 113.9° | 0.5° |
| C2 | C14 | N16 | H15 | 174.4° | 179.6° |
| O11 | C18 | C19 | C20 | 40.2° | 90.0° |
| O11 | C18 | C19 | H13 | 120.0° | 120.0° |
| O11 | C18 | C19 | H14 | 120.0° | 119.9° |
| O11 | C18 | C19 | C24 | 136.8° | 89.7° |
| O11 | C18 | H13 | H14 | 122.1° | 120.0° |
| BR2 | C21 | C20 | C22 | 179.2° | 179.7° |
| BR2 | C21 | C20 | C19 | 179.5° | 180.0° |
| BR2 | C21 | C22 | C25 | 1.8° | 0.3° |
| BR2 | C21 | C22 | C23 | 178.9° | 179.7° |
| BR2 | C21 | C20 | H7 | 0.6° | 0.3° |
| C6 | C17 | N16 | C14 | 176.1° | 179.2° |
| C17 | C6 | C8 | H2 | 178.6° | 179.9° |
| C6 | C17 | N16 | H15 | 3.9° | 1.0° |
| C17 | N16 | C14 | H15 | 180.0° | 179.7° |
| C17 | N16 | C14 | O15 | 175.6° | 179.9° |
| N16 | C17 | C6 | H6 | 0.1° | 0.6° |
| C21 | C20 | C19 | H7 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 177.8° | 180.0° |
| C21 | C20 | C19 | C24 | 0.8° | 0.3° |
| C20 | C21 | C22 | C25 | 177.3° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C19 | C18 | C24 | 177.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C20 | C19 | C24 | C23 | 0.8° | 0.0° |
| C20 | C19 | C24 | H5 | 179.2° | 180.0° |
| C20 | C19 | C18 | H13 | 79.8° | 150.0° |
| C20 | C19 | C18 | H14 | 160.2° | 30.0° |
| C18 | C19 | C24 | C23 | 177.7° | 179.7° |
| C18 | C19 | C24 | H5 | 2.3° | 0.3° |
| C18 | C19 | C20 | H7 | 2.2° | 0.3° |
| C19 | C18 | H13 | H14 | 122.1° | 120.0° |
| O15 | C14 | N16 | H15 | 4.4° | 0.4° |
| C21 | C22 | C25 | C23 | 177.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.3° |
| C21 | C22 | C25 | N26 | 113.6° | 21.9° |
| C21 | C22 | C23 | H3 | 179.7° | 180.0° |
| C22 | C21 | C20 | H7 | 179.8° | 180.0° |
| C19 | C24 | C23 | C22 | 0.2° | 0.3° |
| C19 | C24 | C23 | H5 | 180.0° | 180.0° |
| C19 | C24 | C23 | H3 | 179.8° | 180.0° |
| C24 | C19 | C20 | H7 | 179.2° | 179.9° |
| C24 | C19 | C18 | H13 | 103.2° | 30.3° |
| C24 | C19 | C18 | H14 | 16.8° | 150.4° |
| C25 | C22 | C23 | C24 | 177.3° | 179.7° |
| C25 | C22 | C23 | H3 | 2.7° | 0.0° |
| C22 | C23 | C24 | H3 | 180.0° | 179.7° |
| C23 | C22 | C25 | N26 | 63.4° | 158.1° |
| C22 | C23 | C24 | H5 | 179.7° | 179.7° |
| H1 | C5 | C8 | H2 | 1.5° | 0.0° |
| H1 | C5 | C3 | H4 | 0.7° | 0.3° |
| H2 | C8 | C6 | H6 | 1.4° | 0.0° |
| H3 | C23 | C24 | H5 | 0.3° | 0.1° |
| H8 | C4 | C7 | H12 | 26.0° | 36.3° |
| H9 | C4 | C7 | H12 | 94.0° | 159.7° |
| H10 | C13 | N10 | H16 | 21.9° | 145.3° |
| H11 | C13 | N10 | H16 | 98.1° | 24.0° |
| H12 | C7 | N10 | H16 | 89.5° | 159.7° |
