8GY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C24 | doub | 1.31Å | 1.30Å | Aromatic |
| N23 | N22 | sing | 1.29Å | 1.28Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.36Å | Aromatic |
| N22 | C21 | doub | 1.31Å | 1.31Å | Aromatic |
| C21 | N25 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.48Å | |
| N25 | C26 | sing | 1.47Å | 1.47Å | |
| C28 | C26 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N20 | sing | 1.33Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| O30 | C29 | sing | 1.43Å | 1.44Å | |
| C26 | C29 | sing | 1.53Å | 1.54Å | |
| N20 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N10 | sing | 1.39Å | 1.39Å | |
| C9 | N10 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| N10 | C11 | sing | 1.34Å | 1.35Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | O12 | doub | 1.22Å | 1.23Å | |
| C11 | C13 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | C2 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| O30 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N23 | N22 | 109.8° | 110.0° |
| N23 | C24 | N25 | 108.3° | 107.6° |
| N23 | C24 | H4 | 125.8° | 126.3° |
| N23 | N22 | C21 | 110.0° | 109.5° |
| C24 | N25 | C21 | 104.8° | 105.9° |
| C24 | N25 | C26 | 125.7° | 127.0° |
| N25 | C24 | H4 | 125.8° | 126.2° |
| N22 | C21 | N25 | 107.1° | 106.9° |
| N22 | C21 | C19 | 124.3° | 126.5° |
| N25 | C21 | C19 | 128.6° | 126.5° |
| C21 | N25 | C26 | 129.4° | 127.1° |
| C21 | C19 | C18 | 121.4° | 119.7° |
| C21 | C19 | N20 | 118.3° | 119.7° |
| N25 | C26 | C28 | 111.5° | 109.5° |
| N25 | C26 | C29 | 111.5° | 109.5° |
| N25 | C26 | H5 | 109.4° | 109.5° |
| C28 | C26 | C29 | 107.0° | 109.5° |
| C28 | C26 | H5 | 108.7° | 109.5° |
| C26 | C28 | H6 | 109.5° | 109.5° |
| C26 | C28 | H7 | 109.4° | 109.5° |
| C26 | C28 | H8 | 109.5° | 109.5° |
| C18 | C19 | N20 | 120.3° | 120.6° |
| C19 | C18 | C17 | 118.2° | 119.2° |
| C19 | C18 | H20 | 120.9° | 120.4° |
| C19 | N20 | C15 | 122.9° | 121.5° |
| C18 | C17 | C16 | 119.7° | 118.6° |
| C18 | C17 | H3 | 120.2° | 120.7° |
| C17 | C18 | H20 | 120.9° | 120.4° |
| O30 | C29 | C26 | 111.5° | 109.5° |
| O30 | C29 | H21 | 109.0° | 109.5° |
| O30 | C29 | H22 | 109.0° | 109.5° |
| C29 | O30 | H23 | 109.5° | 113.9° |
| C29 | C26 | H5 | 108.6° | 109.5° |
| C26 | C29 | H21 | 109.0° | 109.5° |
| C26 | C29 | H22 | 108.9° | 109.5° |
| N20 | C15 | C16 | 119.9° | 120.8° |
| N20 | C15 | N10 | 116.9° | 119.7° |
| C17 | C16 | C15 | 119.0° | 119.3° |
| C16 | C17 | H3 | 120.2° | 120.7° |
| C17 | C16 | H19 | 120.5° | 120.3° |
| C16 | C15 | N10 | 123.2° | 119.6° |
| C15 | C16 | H19 | 120.5° | 120.4° |
| C15 | N10 | C9 | 122.8° | 125.7° |
| C15 | N10 | C11 | 128.3° | 125.6° |
| N10 | C9 | C8 | 106.6° | 106.2° |
| C9 | N10 | C11 | 108.9° | 108.7° |
| N10 | C9 | H16 | 110.2° | 110.0° |
| N10 | C9 | H17 | 110.2° | 110.1° |
| C9 | C8 | C7 | 131.3° | 133.1° |
| C9 | C8 | C13 | 106.6° | 106.4° |
| C8 | C9 | H16 | 110.2° | 110.1° |
| C8 | C9 | H17 | 110.2° | 110.2° |
| N10 | C11 | O12 | 124.1° | 124.8° |
| N10 | C11 | C13 | 110.0° | 110.3° |
| C7 | C8 | C13 | 122.1° | 120.4° |
| C8 | C7 | C6 | 119.5° | 120.1° |
| C8 | C7 | H2 | 120.3° | 119.9° |
| C8 | C13 | C11 | 107.9° | 108.3° |
| C8 | C13 | C14 | 118.4° | 119.4° |
| O12 | C11 | C13 | 126.0° | 124.8° |
| C11 | C13 | C14 | 133.7° | 132.3° |
| C7 | C6 | C5 | 120.0° | 120.1° |
| C7 | C6 | H1 | 120.0° | 120.0° |
| C6 | C7 | H2 | 120.2° | 120.0° |
| C13 | C14 | C5 | 119.4° | 119.8° |
| C13 | C14 | H18 | 120.3° | 120.1° |
| C6 | C5 | C14 | 120.6° | 120.2° |
| C6 | C5 | O4 | 115.2° | 119.9° |
| C5 | C6 | H1 | 120.0° | 119.9° |
| C14 | C5 | O4 | 124.2° | 119.9° |
| C5 | C14 | H18 | 120.3° | 120.1° |
| C5 | O4 | C2 | 123.7° | 116.9° |
| O4 | C2 | C3 | 112.9° | 109.4° |
| O4 | C2 | C1 | 105.3° | 109.5° |
| O4 | C2 | H12 | 110.6° | 109.4° |
| C3 | C2 | C1 | 109.4° | 109.5° |
| C3 | C2 | H12 | 109.2° | 109.5° |
| C2 | C3 | H13 | 109.5° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C2 | C3 | H15 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.3° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H6 | C28 | H8 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H13 | C3 | H15 | 109.4° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H16 | C9 | H17 | 109.4° | 110.2° |
| H21 | C29 | H22 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C24 | N25 | H4 | 180.0° | 180.0° |
| C24 | N23 | N22 | C21 | 0.1° | 0.0° |
| N23 | C24 | N25 | C21 | 0.3° | 0.0° |
| N23 | C24 | N25 | C26 | 178.6° | 179.8° |
| N22 | N23 | C24 | N25 | 0.3° | 0.0° |
| N23 | N22 | C21 | N25 | 0.1° | 0.0° |
| N23 | N22 | C21 | C19 | 178.2° | 179.8° |
| N22 | N23 | C24 | H4 | 179.8° | 180.0° |
| C24 | N25 | C21 | N22 | 0.3° | 0.0° |
| C24 | N25 | C21 | C26 | 178.2° | 179.8° |
| C24 | N25 | C21 | C19 | 178.3° | 179.8° |
| C24 | N25 | C26 | C28 | 79.3° | 59.7° |
| C24 | N25 | C26 | C29 | 40.2° | 60.3° |
| C24 | N25 | C26 | H5 | 160.3° | 179.7° |
| N22 | C21 | N25 | C19 | 178.0° | 179.8° |
| N22 | C21 | N25 | C26 | 178.5° | 179.8° |
| N22 | C21 | C19 | C18 | 20.2° | 0.2° |
| N22 | C21 | C19 | N20 | 157.3° | 179.5° |
| C21 | N25 | C26 | C28 | 102.8° | 120.0° |
| N25 | C21 | C19 | C18 | 162.2° | 180.0° |
| N25 | C21 | C19 | N20 | 20.3° | 0.7° |
| C21 | N25 | C26 | C29 | 137.7° | 120.0° |
| C21 | N25 | C24 | H4 | 179.7° | 180.0° |
| C21 | N25 | C26 | H5 | 17.6° | 0.0° |
| C19 | C21 | N25 | C26 | 3.5° | 0.0° |
| C21 | C19 | C18 | N20 | 177.4° | 179.3° |
| C21 | C19 | C18 | C17 | 178.7° | 180.0° |
| C21 | C19 | N20 | C15 | 179.0° | 179.8° |
| C21 | C19 | C18 | H20 | 1.3° | 0.4° |
| N25 | C26 | C28 | C29 | 122.2° | 120.0° |
| N25 | C26 | C28 | H5 | 120.8° | 120.0° |
| N25 | C26 | C29 | O30 | 40.4° | 175.0° |
| N25 | C26 | C29 | H5 | 120.6° | 120.0° |
| C26 | N25 | C24 | H4 | 1.4° | 0.2° |
| N25 | C26 | C28 | H6 | 180.0° | 180.0° |
| N25 | C26 | C28 | H7 | 60.0° | 60.0° |
| N25 | C26 | C28 | H8 | 60.0° | 59.9° |
| N25 | C26 | C29 | H21 | 160.7° | 55.0° |
| N25 | C26 | C29 | H22 | 80.0° | 65.0° |
| C28 | C26 | C29 | O30 | 162.6° | 65.0° |
| C28 | C26 | C29 | H5 | 117.2° | 120.0° |
| C26 | C28 | H6 | H7 | 120.0° | 120.0° |
| C26 | C28 | H6 | H8 | 120.0° | 120.0° |
| C26 | C28 | H7 | H8 | 120.0° | 120.0° |
| C28 | C26 | C29 | H21 | 77.1° | 175.0° |
| C28 | C26 | C29 | H22 | 42.2° | 55.0° |
| C19 | C18 | C17 | H20 | 180.0° | 179.6° |
| C18 | C19 | N20 | C15 | 1.4° | 0.5° |
| C19 | C18 | C17 | C16 | 0.4° | 0.5° |
| C19 | C18 | C17 | H3 | 179.6° | 179.6° |
| N20 | C19 | C18 | C17 | 1.3° | 0.7° |
| C19 | N20 | C15 | C16 | 0.7° | 0.0° |
| C19 | N20 | C15 | N10 | 178.1° | 179.7° |
| N20 | C19 | C18 | H20 | 178.8° | 179.7° |
| C18 | C17 | C16 | H3 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H19 | 179.6° | 180.0° |
| O30 | C29 | C26 | H21 | 120.3° | 120.0° |
| O30 | C29 | C26 | H22 | 120.3° | 120.1° |
| O30 | C29 | C26 | H5 | 80.3° | 55.0° |
| O30 | C29 | H21 | H22 | 119.1° | 120.1° |
| C29 | C26 | C28 | H6 | 57.8° | 60.0° |
| C29 | C26 | C28 | H7 | 62.2° | 60.0° |
| C29 | C26 | C28 | H8 | 177.9° | 180.0° |
| C26 | C29 | H21 | H22 | 119.0° | 120.0° |
| C26 | C29 | O30 | H23 | 180.0° | 180.0° |
| N20 | C15 | C16 | C17 | 0.3° | 0.2° |
| N20 | C15 | C16 | N10 | 178.7° | 179.7° |
| N20 | C15 | N10 | C9 | 1.3° | 175.3° |
| N20 | C15 | N10 | C11 | 176.1° | 4.7° |
| N20 | C15 | C16 | H19 | 179.7° | 179.8° |
| C17 | C16 | C15 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | N10 | 179.0° | 179.9° |
| C16 | C17 | C18 | H20 | 179.7° | 180.0° |
| C16 | C15 | N10 | C9 | 180.0° | 5.0° |
| C16 | C15 | N10 | C11 | 2.6° | 175.0° |
| C15 | C16 | C17 | H3 | 179.7° | 180.0° |
| C15 | N10 | C9 | C11 | 177.8° | 180.0° |
| C15 | N10 | C9 | C8 | 179.5° | 180.0° |
| C15 | N10 | C11 | O12 | 1.6° | 0.0° |
| C15 | N10 | C11 | C13 | 179.3° | 180.0° |
| C15 | N10 | C9 | H16 | 59.9° | 60.8° |
| C15 | N10 | C9 | H17 | 61.0° | 60.8° |
| N10 | C15 | C16 | H19 | 1.0° | 0.1° |
| N10 | C9 | C8 | H16 | 119.6° | 119.1° |
| N10 | C9 | C8 | H17 | 119.6° | 119.2° |
| N10 | C9 | C8 | C7 | 178.2° | 180.0° |
| N10 | C9 | C8 | C13 | 1.0° | 0.0° |
| C9 | N10 | C11 | O12 | 179.3° | 180.0° |
| C9 | N10 | C11 | C13 | 1.6° | 0.0° |
| N10 | C9 | H16 | H17 | 121.3° | 121.5° |
| C8 | C9 | N10 | C11 | 1.6° | 0.0° |
| C9 | C8 | C7 | C13 | 179.1° | 179.9° |
| C9 | C8 | C13 | C11 | 0.1° | 0.0° |
| C9 | C8 | C7 | C6 | 179.5° | 180.0° |
| C9 | C8 | C13 | C14 | 179.7° | 179.7° |
| C9 | C8 | C7 | H2 | 0.5° | 0.0° |
| C8 | C9 | H16 | H17 | 121.3° | 121.7° |
| N10 | C11 | C13 | C8 | 1.0° | 0.0° |
| N10 | C11 | O12 | C13 | 179.0° | 180.0° |
| N10 | C11 | C13 | C14 | 178.6° | 179.7° |
| C11 | N10 | C9 | H16 | 117.9° | 119.2° |
| C11 | N10 | C9 | H17 | 121.2° | 119.3° |
| C7 | C8 | C13 | C11 | 179.2° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C7 | C8 | C13 | C14 | 0.4° | 0.2° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C8 | C7 | C6 | H1 | 179.5° | 179.9° |
| C7 | C8 | C9 | H16 | 62.2° | 60.8° |
| C7 | C8 | C9 | H17 | 58.6° | 60.9° |
| C8 | C13 | C11 | O12 | 179.9° | 180.0° |
| C8 | C13 | C11 | C14 | 179.5° | 179.7° |
| C13 | C8 | C7 | C6 | 0.4° | 0.1° |
| C8 | C13 | C14 | C5 | 0.5° | 0.5° |
| C13 | C8 | C7 | H2 | 179.6° | 180.0° |
| C13 | C8 | C9 | H16 | 118.6° | 119.1° |
| C13 | C8 | C9 | H17 | 120.6° | 119.2° |
| C8 | C13 | C14 | H18 | 179.4° | 180.0° |
| O12 | C11 | C13 | C14 | 0.5° | 0.3° |
| C11 | C13 | C14 | C5 | 179.0° | 179.8° |
| C11 | C13 | C14 | H18 | 1.1° | 0.4° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | C14 | 0.7° | 0.2° |
| C7 | C6 | C5 | O4 | 179.4° | 179.9° |
| C13 | C14 | C5 | C6 | 0.7° | 0.5° |
| C13 | C14 | C5 | H18 | 180.0° | 179.4° |
| C13 | C14 | C5 | O4 | 179.4° | 179.8° |
| C6 | C5 | C14 | O4 | 179.9° | 179.7° |
| C6 | C5 | O4 | C2 | 174.3° | 174.7° |
| C5 | C6 | C7 | H2 | 179.5° | 180.0° |
| C6 | C5 | C14 | H18 | 179.3° | 180.0° |
| C14 | C5 | O4 | C2 | 5.6° | 5.0° |
| C14 | C5 | C6 | H1 | 179.4° | 179.6° |
| C5 | O4 | C2 | C3 | 75.8° | 155.4° |
| C5 | O4 | C2 | C1 | 164.9° | 84.6° |
| O4 | C5 | C6 | H1 | 0.5° | 0.0° |
| C5 | O4 | C2 | H12 | 46.9° | 35.4° |
| O4 | C5 | C14 | H18 | 0.6° | 0.4° |
| O4 | C2 | C3 | C1 | 116.9° | 120.0° |
| O4 | C2 | C3 | H12 | 123.5° | 119.9° |
| O4 | C2 | C1 | H12 | 118.9° | 120.0° |
| O4 | C2 | C1 | H9 | 180.0° | 180.0° |
| O4 | C2 | C1 | H10 | 60.0° | 60.0° |
| O4 | C2 | C1 | H11 | 60.0° | 60.0° |
| O4 | C2 | C3 | H13 | 180.0° | 60.0° |
| O4 | C2 | C3 | H14 | 60.0° | 60.0° |
| O4 | C2 | C3 | H15 | 60.0° | 180.0° |
| C3 | C2 | C1 | H12 | 119.5° | 120.0° |
| C3 | C2 | C1 | H9 | 58.4° | 60.1° |
| C3 | C2 | C1 | H10 | 178.4° | 180.0° |
| C3 | C2 | C1 | H11 | 61.6° | 60.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.0° |
| C2 | C3 | H13 | H15 | 120.0° | 120.0° |
| C2 | C3 | H14 | H15 | 120.0° | 119.9° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.1° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | C3 | H13 | 63.1° | 60.0° |
| C1 | C2 | C3 | H14 | 56.9° | 180.0° |
| C1 | C2 | C3 | H15 | 176.9° | 60.0° |
| H1 | C6 | C7 | H2 | 0.5° | 0.1° |
| H3 | C17 | C16 | H19 | 0.3° | 0.0° |
| H3 | C17 | C18 | H20 | 0.4° | 0.0° |
| H5 | C26 | C28 | H6 | 59.2° | 60.0° |
| H5 | C26 | C28 | H7 | 179.2° | 180.0° |
| H5 | C26 | C28 | H8 | 60.8° | 60.1° |
| H5 | C26 | C29 | H21 | 40.1° | 65.0° |
| H5 | C26 | C29 | H22 | 159.4° | 175.0° |
| H6 | C28 | H7 | H8 | 120.0° | 120.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H9 | C1 | C2 | H12 | 61.1° | 60.0° |
| H10 | C1 | C2 | H12 | 58.9° | 60.0° |
| H11 | C1 | C2 | H12 | 178.9° | 180.0° |
| H12 | C2 | C3 | H13 | 56.5° | 180.0° |
| H12 | C2 | C3 | H14 | 176.5° | 59.9° |
| H12 | C2 | C3 | H15 | 63.5° | 60.0° |
| H13 | C3 | H14 | H15 | 120.0° | 120.0° |
| H21 | C29 | O30 | H23 | 59.7° | 60.0° |
| H22 | C29 | O30 | H23 | 59.7° | 60.0° |
