GI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C23 | trip | 1.14Å | 1.15Å | |
| N9 | C8 | trip | 1.14Å | 1.17Å | |
| C23 | C19 | sing | 1.43Å | 1.27Å | |
| C8 | C3 | sing | 1.43Å | 1.28Å | |
| C19 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| N7 | C2 | sing | 1.37Å | 1.33Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.36Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C4 | sing | 1.53Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C2 | O1 | sing | 1.35Å | 1.45Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C4 | sing | 1.51Å | 1.52Å | |
| C17 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.48Å | |
| O1 | C6 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.41Å | 1.46Å | Aromatic |
| C5 | C10 | doub | 1.34Å | 1.50Å | Aromatic |
| S29 | C25 | sing | 1.76Å | 1.72Å | Aromatic |
| S29 | C28 | sing | 1.76Å | 1.72Å | Aromatic |
| C6 | N12 | doub | 1.30Å | 1.33Å | Aromatic |
| C25 | C26 | doub | 1.35Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.51Å | |
| C10 | N11 | sing | 1.35Å | 1.35Å | Aromatic |
| N12 | N11 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C30 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | doub | 1.34Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C32 | sing | 1.43Å | 1.44Å | |
| N7 | H1 | sing | 0.97Å | 1.00Å | |
| N7 | H2 | sing | 0.97Å | 1.00Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| N11 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C23 | C19 | 179.6° | 180.0° |
| N9 | C8 | C3 | 179.9° | 180.0° |
| C23 | C19 | C18 | 119.8° | 120.1° |
| C23 | C19 | C20 | 120.1° | 120.1° |
| C8 | C3 | C2 | 118.8° | 118.5° |
| C8 | C3 | C4 | 118.4° | 118.5° |
| C18 | C19 | C20 | 120.0° | 119.8° |
| C19 | C18 | C17 | 122.7° | 120.1° |
| C19 | C18 | H14 | 118.6° | 119.9° |
| C19 | C20 | C21 | 118.0° | 119.7° |
| C19 | C20 | H16 | 121.0° | 120.1° |
| N7 | C2 | C3 | 121.3° | 117.7° |
| N7 | C2 | O1 | 116.3° | 117.7° |
| C2 | N7 | H1 | 109.5° | 120.0° |
| C2 | N7 | H2 | 109.4° | 120.0° |
| C18 | C17 | C4 | 120.6° | 119.8° |
| C18 | C17 | C22 | 117.0° | 120.3° |
| C17 | C18 | H14 | 118.7° | 120.0° |
| C2 | C3 | C4 | 122.9° | 123.1° |
| C3 | C2 | O1 | 122.4° | 124.5° |
| C3 | C4 | C14 | 108.7° | 109.8° |
| C3 | C4 | C17 | 104.2° | 109.8° |
| C3 | C4 | C5 | 110.0° | 108.2° |
| C15 | C14 | C4 | 113.2° | 109.5° |
| C15 | C14 | C16 | 109.3° | 109.5° |
| C15 | C14 | H7 | 105.8° | 109.5° |
| C14 | C15 | H11 | 109.5° | 109.4° |
| C14 | C15 | H12 | 109.4° | 109.5° |
| C14 | C15 | H13 | 109.4° | 109.5° |
| C4 | C14 | C16 | 116.6° | 109.4° |
| C14 | C4 | C17 | 113.5° | 109.8° |
| C14 | C4 | C5 | 111.2° | 109.5° |
| C4 | C14 | H7 | 105.4° | 109.5° |
| C16 | C14 | H7 | 105.6° | 109.4° |
| C14 | C16 | H8 | 109.5° | 109.5° |
| C14 | C16 | H9 | 109.5° | 109.5° |
| C14 | C16 | H10 | 109.5° | 109.5° |
| C2 | O1 | C6 | 119.9° | 117.4° |
| C20 | C21 | C22 | 121.1° | 119.9° |
| C20 | C21 | C25 | 123.3° | 120.1° |
| C21 | C20 | H16 | 121.0° | 120.2° |
| C4 | C17 | C22 | 122.4° | 119.8° |
| C17 | C4 | C5 | 109.1° | 109.8° |
| C17 | C22 | C21 | 121.2° | 120.1° |
| C17 | C22 | H15 | 119.4° | 120.0° |
| C4 | C5 | C6 | 123.9° | 122.2° |
| C4 | C5 | C10 | 135.3° | 129.7° |
| C22 | C21 | C25 | 115.6° | 120.0° |
| C21 | C22 | H15 | 119.4° | 119.9° |
| C21 | C25 | S29 | 116.8° | 125.3° |
| C21 | C25 | C26 | 133.5° | 125.3° |
| O1 | C6 | C5 | 119.8° | 122.1° |
| O1 | C6 | N12 | 126.0° | 129.9° |
| C6 | C5 | C10 | 100.8° | 108.1° |
| C5 | C6 | N12 | 114.2° | 108.0° |
| C5 | C10 | C13 | 128.5° | 126.1° |
| C5 | C10 | N11 | 107.3° | 107.7° |
| C25 | S29 | C28 | 94.0° | 91.0° |
| S29 | C25 | C26 | 109.6° | 109.5° |
| S29 | C28 | C30 | 116.6° | 125.2° |
| S29 | C28 | C27 | 109.1° | 109.8° |
| C6 | N12 | N11 | 105.1° | 108.2° |
| C25 | C26 | C27 | 113.7° | 114.7° |
| C25 | C26 | H18 | 123.1° | 122.6° |
| C13 | C10 | N11 | 124.2° | 126.2° |
| C10 | C13 | H4 | 109.5° | 109.5° |
| C10 | C13 | H5 | 109.5° | 109.5° |
| C10 | C13 | H6 | 109.5° | 109.5° |
| C10 | N11 | N12 | 112.6° | 108.1° |
| C10 | N11 | H3 | 123.7° | 126.0° |
| N12 | N11 | H3 | 123.7° | 126.0° |
| C30 | C28 | C27 | 134.3° | 125.1° |
| C28 | C30 | O31 | 108.9° | 109.5° |
| C28 | C30 | H19 | 109.6° | 109.4° |
| C28 | C30 | H20 | 109.6° | 109.5° |
| C28 | C27 | C26 | 113.5° | 115.1° |
| C28 | C27 | H17 | 123.2° | 122.5° |
| C26 | C27 | H17 | 123.2° | 122.4° |
| C27 | C26 | H18 | 123.1° | 122.7° |
| C30 | O31 | C32 | 115.3° | 114.0° |
| O31 | C30 | H19 | 109.6° | 109.5° |
| O31 | C30 | H20 | 109.6° | 109.5° |
| O31 | C32 | H21 | 109.5° | 109.5° |
| O31 | C32 | H22 | 109.5° | 109.5° |
| O31 | C32 | H23 | 109.4° | 109.5° |
| H1 | N7 | H2 | 109.4° | 120.0° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H8 | C16 | H9 | 109.4° | 109.4° |
| H8 | C16 | H10 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.4° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.4° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H21 | C32 | H23 | 109.5° | 109.4° |
| H22 | C32 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C23 | C19 | C18 | 3.1° | 5.8° |
| N24 | C23 | C19 | C20 | 177.3° | 174.3° |
| N9 | C8 | C3 | C2 | 158.8° | 85.2° |
| N9 | C8 | C3 | C4 | 21.3° | 95.1° |
| C23 | C19 | C18 | C20 | 179.6° | 180.0° |
| C23 | C19 | C18 | C17 | 179.7° | 180.0° |
| C23 | C19 | C20 | C21 | 179.9° | 179.7° |
| C23 | C19 | C18 | H14 | 0.2° | 0.1° |
| C23 | C19 | C20 | H16 | 0.1° | 0.0° |
| C8 | C3 | C2 | N7 | 0.1° | 0.3° |
| C8 | C3 | C2 | C4 | 180.0° | 179.7° |
| C8 | C3 | C4 | C14 | 66.0° | 72.5° |
| C8 | C3 | C2 | O1 | 179.6° | 179.8° |
| C8 | C3 | C4 | C17 | 55.2° | 48.2° |
| C8 | C3 | C4 | C5 | 172.0° | 168.0° |
| C19 | C18 | C17 | H14 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.3° | 0.3° |
| C19 | C18 | C17 | C4 | 178.7° | 180.0° |
| C19 | C18 | C17 | C22 | 1.2° | 0.2° |
| C18 | C19 | C20 | H16 | 179.7° | 180.0° |
| C20 | C19 | C18 | C17 | 0.7° | 0.0° |
| C19 | C20 | C21 | H16 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.6° | 0.4° |
| C19 | C20 | C21 | C25 | 180.0° | 179.7° |
| C20 | C19 | C18 | H14 | 179.4° | 179.9° |
| N7 | C2 | C3 | O1 | 179.7° | 180.0° |
| N7 | C2 | C3 | C4 | 179.9° | 180.0° |
| N7 | C2 | O1 | C6 | 170.5° | 166.7° |
| C2 | N7 | H1 | H2 | 120.0° | 180.0° |
| C18 | C17 | C4 | C3 | 77.8° | 127.7° |
| C18 | C17 | C4 | C14 | 40.2° | 7.0° |
| C18 | C17 | C4 | C22 | 177.3° | 179.8° |
| C18 | C17 | C4 | C5 | 164.8° | 113.4° |
| C18 | C17 | C22 | C21 | 1.5° | 0.2° |
| C18 | C17 | C22 | H15 | 178.5° | 179.7° |
| C2 | C3 | C4 | C14 | 113.9° | 107.8° |
| C2 | C3 | C4 | C17 | 124.8° | 131.5° |
| C2 | C3 | C4 | C5 | 8.0° | 11.7° |
| C3 | C2 | O1 | C6 | 9.2° | 13.4° |
| C3 | C2 | N7 | H1 | 179.8° | 0.0° |
| C3 | C2 | N7 | H2 | 60.3° | 180.0° |
| C3 | C4 | C14 | C15 | 64.0° | 66.1° |
| C3 | C4 | C14 | C17 | 115.4° | 120.7° |
| C3 | C4 | C14 | C5 | 121.2° | 118.7° |
| C3 | C4 | C14 | C16 | 168.0° | 53.9° |
| C4 | C3 | C2 | O1 | 0.4° | 0.1° |
| C3 | C4 | C17 | C5 | 117.4° | 118.9° |
| C3 | C4 | C17 | C22 | 99.6° | 52.5° |
| C3 | C4 | C5 | C6 | 7.5° | 11.5° |
| C3 | C4 | C5 | C10 | 171.5° | 168.3° |
| C3 | C4 | C14 | H7 | 51.1° | 173.9° |
| C15 | C14 | C4 | C16 | 128.0° | 120.0° |
| C15 | C14 | C4 | H7 | 115.1° | 120.1° |
| C15 | C14 | C16 | H7 | 113.4° | 120.0° |
| C15 | C14 | C4 | C17 | 179.4° | 173.2° |
| C15 | C14 | C4 | C5 | 57.2° | 52.6° |
| C15 | C14 | C16 | H8 | 180.0° | 52.4° |
| C15 | C14 | C16 | H9 | 60.0° | 67.6° |
| C15 | C14 | C16 | H10 | 60.0° | 172.4° |
| C14 | C15 | H11 | H12 | 120.0° | 119.9° |
| C14 | C15 | H11 | H13 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 120.0° | 120.0° |
| C4 | C14 | C16 | H7 | 116.7° | 120.0° |
| C14 | C4 | C17 | C5 | 124.6° | 120.4° |
| C14 | C4 | C17 | C22 | 142.4° | 173.2° |
| C14 | C4 | C5 | C6 | 112.9° | 108.2° |
| C14 | C4 | C5 | C10 | 68.0° | 72.0° |
| C4 | C14 | C16 | H8 | 50.1° | 67.6° |
| C4 | C14 | C16 | H9 | 170.1° | 172.5° |
| C4 | C14 | C16 | H10 | 69.9° | 52.5° |
| C4 | C14 | C15 | H11 | 180.0° | 55.4° |
| C4 | C14 | C15 | H12 | 60.0° | 175.3° |
| C4 | C14 | C15 | H13 | 60.0° | 64.7° |
| C16 | C14 | C4 | C17 | 52.6° | 66.8° |
| C16 | C14 | C4 | C5 | 70.8° | 172.6° |
| C14 | C16 | H8 | H9 | 120.0° | 120.0° |
| C14 | C16 | H8 | H10 | 120.0° | 120.0° |
| C14 | C16 | H9 | H10 | 120.0° | 120.0° |
| C16 | C14 | C15 | H11 | 48.3° | 175.3° |
| C16 | C14 | C15 | H12 | 168.2° | 64.7° |
| C16 | C14 | C15 | H13 | 71.7° | 55.3° |
| C2 | O1 | C6 | C5 | 9.6° | 13.1° |
| C2 | O1 | C6 | N12 | 169.9° | 166.9° |
| O1 | C2 | N7 | H1 | 0.0° | 180.0° |
| O1 | C2 | N7 | H2 | 120.0° | 0.0° |
| C20 | C21 | C22 | C17 | 1.2° | 0.1° |
| C20 | C21 | C22 | C25 | 179.4° | 179.9° |
| C20 | C21 | C25 | S29 | 29.5° | 179.6° |
| C20 | C21 | C25 | C26 | 151.6° | 0.1° |
| C20 | C21 | C22 | H15 | 178.8° | 179.9° |
| C4 | C17 | C22 | C21 | 178.9° | 180.0° |
| C17 | C4 | C5 | C6 | 121.2° | 131.3° |
| C17 | C4 | C5 | C10 | 57.9° | 48.5° |
| C17 | C4 | C14 | H7 | 64.3° | 53.2° |
| C4 | C17 | C18 | H14 | 1.3° | 0.0° |
| C4 | C17 | C22 | H15 | 1.0° | 0.0° |
| C22 | C17 | C4 | C5 | 17.8° | 66.3° |
| C17 | C22 | C21 | H15 | 180.0° | 180.0° |
| C17 | C22 | C21 | C25 | 179.3° | 180.0° |
| C22 | C17 | C18 | H14 | 178.8° | 179.8° |
| C4 | C5 | C6 | O1 | 0.8° | 0.1° |
| C4 | C5 | C6 | C10 | 179.3° | 179.8° |
| C4 | C5 | C6 | N12 | 178.7° | 179.9° |
| C4 | C5 | C10 | C13 | 0.0° | 0.1° |
| C4 | C5 | C10 | N11 | 179.2° | 179.8° |
| C5 | C4 | C14 | H7 | 172.4° | 67.4° |
| C22 | C21 | C25 | S29 | 150.0° | 0.3° |
| C22 | C21 | C25 | C26 | 29.0° | 180.0° |
| C22 | C21 | C20 | H16 | 179.4° | 180.0° |
| C21 | C25 | S29 | C26 | 179.2° | 179.7° |
| C21 | C25 | S29 | C28 | 179.4° | 180.0° |
| C21 | C25 | C26 | C27 | 179.4° | 179.8° |
| C25 | C21 | C22 | H15 | 0.7° | 0.0° |
| C25 | C21 | C20 | H16 | 0.0° | 0.1° |
| C21 | C25 | C26 | H18 | 0.6° | 0.0° |
| O1 | C6 | C5 | N12 | 179.5° | 180.0° |
| O1 | C6 | C5 | C10 | 179.8° | 179.9° |
| O1 | C6 | N12 | N11 | 179.5° | 179.9° |
| C6 | C5 | C10 | C13 | 179.2° | 179.9° |
| C6 | C5 | C10 | N11 | 0.0° | 0.0° |
| C5 | C6 | N12 | N11 | 1.0° | 0.1° |
| C10 | C5 | C6 | N12 | 0.6° | 0.1° |
| C5 | C10 | C13 | N11 | 179.0° | 179.9° |
| C5 | C10 | N11 | N12 | 0.6° | 0.0° |
| C5 | C10 | C13 | H4 | 90.5° | 94.7° |
| C5 | C10 | C13 | H5 | 149.5° | 25.3° |
| C5 | C10 | C13 | H6 | 29.5° | 145.3° |
| C5 | C10 | N11 | H3 | 179.4° | 179.9° |
| C25 | S29 | C28 | C30 | 179.3° | 179.9° |
| C25 | S29 | C28 | C27 | 0.0° | 0.0° |
| S29 | C25 | C26 | C27 | 0.4° | 0.5° |
| S29 | C25 | C26 | H18 | 179.6° | 179.7° |
| C28 | S29 | C25 | C26 | 0.2° | 0.3° |
| S29 | C28 | C30 | C27 | 179.1° | 180.0° |
| S29 | C28 | C27 | C26 | 0.2° | 0.2° |
| S29 | C28 | C30 | O31 | 160.5° | 89.9° |
| S29 | C28 | C27 | H17 | 179.8° | 180.0° |
| S29 | C28 | C30 | H19 | 79.6° | 30.0° |
| S29 | C28 | C30 | H20 | 40.6° | 150.0° |
| C6 | N12 | N11 | C10 | 1.0° | 0.1° |
| C6 | N12 | N11 | H3 | 179.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.4° | 0.5° |
| C25 | C26 | C27 | H18 | 180.0° | 179.9° |
| C25 | C26 | C27 | H17 | 179.7° | 179.7° |
| C13 | C10 | N11 | N12 | 178.6° | 180.0° |
| C10 | C13 | H4 | H5 | 120.0° | 120.0° |
| C10 | C13 | H4 | H6 | 120.0° | 120.0° |
| C10 | C13 | H5 | H6 | 120.0° | 120.0° |
| C13 | C10 | N11 | H3 | 1.4° | 0.2° |
| C10 | N11 | N12 | H3 | 180.0° | 179.9° |
| N11 | C10 | C13 | H4 | 90.4° | 85.3° |
| N11 | C10 | C13 | H5 | 29.5° | 154.7° |
| N11 | C10 | C13 | H6 | 149.6° | 34.8° |
| C30 | C28 | C27 | C26 | 179.4° | 179.8° |
| C28 | C30 | O31 | H19 | 119.9° | 120.0° |
| C28 | C30 | O31 | H20 | 119.9° | 120.0° |
| C28 | C30 | O31 | C32 | 88.7° | 180.0° |
| C30 | C28 | C27 | H17 | 0.7° | 0.0° |
| C28 | C30 | H19 | H20 | 120.2° | 120.0° |
| C28 | C27 | C26 | H17 | 180.0° | 179.8° |
| C27 | C28 | C30 | O31 | 18.7° | 90.0° |
| C28 | C27 | C26 | H18 | 179.6° | 179.7° |
| C27 | C28 | C30 | H19 | 101.3° | 150.0° |
| C27 | C28 | C30 | H20 | 138.6° | 30.0° |
| O31 | C30 | H19 | H20 | 120.3° | 120.0° |
| C30 | O31 | C32 | H21 | 180.0° | 60.1° |
| C30 | O31 | C32 | H22 | 60.0° | 60.0° |
| C30 | O31 | C32 | H23 | 60.0° | 180.0° |
| C32 | O31 | C30 | H19 | 151.4° | 60.0° |
| C32 | O31 | C30 | H20 | 31.2° | 60.0° |
| O31 | C32 | H21 | H22 | 120.0° | 120.0° |
| O31 | C32 | H21 | H23 | 120.0° | 119.9° |
| O31 | C32 | H22 | H23 | 120.0° | 120.0° |
| H4 | C13 | H5 | H6 | 120.0° | 120.0° |
| H7 | C14 | C16 | H8 | 66.6° | 172.4° |
| H7 | C14 | C16 | H9 | 53.4° | 52.5° |
| H7 | C14 | C16 | H10 | 173.4° | 67.5° |
| H7 | C14 | C15 | H11 | 65.0° | 64.7° |
| H7 | C14 | C15 | H12 | 54.9° | 55.3° |
| H7 | C14 | C15 | H13 | 175.0° | 175.3° |
| H8 | C16 | H9 | H10 | 120.0° | 120.1° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H17 | C27 | C26 | H18 | 0.4° | 0.1° |
| H21 | C32 | H22 | H23 | 120.0° | 120.0° |
