9G6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.43Å | |
| N10 | C9 | doub | 1.31Å | 1.33Å | Aromatic |
| N10 | C5 | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | N8 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.42Å | Aromatic |
| O30 | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| N8 | C7 | doub | 1.33Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | N11 | sing | 1.38Å | 1.39Å | |
| C2 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | O17 | sing | 1.36Å | 1.37Å | |
| O17 | C18 | sing | 1.43Å | 1.43Å | |
| N11 | C16 | sing | 1.47Å | 1.47Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C15 | O14 | sing | 1.43Å | 1.43Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| N20 | C21 | sing | 1.38Å | 1.35Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C21 | N22 | doub | 1.29Å | 1.30Å | Aromatic |
| C21 | S25 | sing | 1.76Å | 1.75Å | Aromatic |
| N22 | C23 | sing | 1.35Å | 1.39Å | Aromatic |
| S25 | C24 | sing | 1.76Å | 1.74Å | Aromatic |
| C23 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.37Å | 1.39Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| N20 | H21 | sing | 0.97Å | 1.00Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | O30 | C1 | 117.9° | 117.0° |
| O30 | C31 | H11 | 109.5° | 109.5° |
| O30 | C31 | H12 | 109.4° | 109.4° |
| O30 | C31 | H13 | 109.4° | 109.5° |
| C9 | N10 | C5 | 115.6° | 120.5° |
| N10 | C9 | N8 | 129.5° | 123.0° |
| N10 | C9 | H16 | 115.2° | 118.6° |
| N10 | C5 | C6 | 117.7° | 121.9° |
| N10 | C5 | C4 | 123.0° | 118.7° |
| C9 | N8 | C7 | 115.3° | 121.4° |
| N8 | C9 | H16 | 115.2° | 118.5° |
| C5 | C6 | C1 | 120.6° | 119.5° |
| C6 | C5 | C4 | 119.4° | 119.5° |
| C5 | C6 | H15 | 119.7° | 120.3° |
| C6 | C1 | O30 | 124.8° | 119.6° |
| C6 | C1 | C2 | 120.3° | 120.7° |
| C1 | C6 | H15 | 119.7° | 120.2° |
| C5 | C4 | C7 | 115.2° | 118.2° |
| C5 | C4 | C3 | 118.9° | 119.9° |
| O30 | C1 | C2 | 115.0° | 119.6° |
| C1 | C2 | C3 | 120.1° | 120.7° |
| C1 | C2 | O17 | 114.7° | 119.7° |
| N8 | C7 | C4 | 121.5° | 118.2° |
| N8 | C7 | N11 | 116.8° | 120.8° |
| C7 | C4 | C3 | 125.9° | 121.9° |
| C4 | C7 | N11 | 121.7° | 120.9° |
| C4 | C3 | C2 | 120.7° | 119.7° |
| C4 | C3 | H14 | 119.6° | 120.2° |
| C7 | N11 | C16 | 118.5° | 111.0° |
| C7 | N11 | C12 | 120.4° | 111.1° |
| C3 | C2 | O17 | 125.0° | 119.6° |
| C2 | C3 | H14 | 119.7° | 120.2° |
| C2 | O17 | C18 | 118.4° | 117.1° |
| O17 | C18 | C19 | 109.4° | 109.5° |
| O17 | C18 | H19 | 109.5° | 109.5° |
| O17 | C18 | H20 | 109.5° | 109.4° |
| C16 | N11 | C12 | 110.3° | 110.8° |
| N11 | C16 | C15 | 109.9° | 109.3° |
| N11 | C16 | H17 | 109.4° | 109.5° |
| N11 | C16 | H18 | 109.4° | 109.6° |
| N11 | C12 | C13 | 108.9° | 109.3° |
| N11 | C12 | H1 | 109.6° | 109.5° |
| N11 | C12 | H2 | 109.6° | 109.5° |
| C16 | C15 | O14 | 112.1° | 109.3° |
| C16 | C15 | H5 | 108.8° | 109.6° |
| C16 | C15 | H6 | 108.8° | 109.5° |
| C15 | C16 | H17 | 109.4° | 109.5° |
| C15 | C16 | H18 | 109.4° | 109.5° |
| C18 | C19 | N20 | 112.7° | 109.5° |
| C18 | C19 | H7 | 108.7° | 109.5° |
| C18 | C19 | H8 | 108.6° | 109.4° |
| C19 | C18 | H19 | 109.5° | 109.5° |
| C19 | C18 | H20 | 109.5° | 109.4° |
| C12 | C13 | O14 | 111.5° | 109.3° |
| C13 | C12 | H1 | 109.6° | 109.5° |
| C13 | C12 | H2 | 109.6° | 109.5° |
| C12 | C13 | H3 | 108.9° | 109.5° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| C15 | O14 | C13 | 110.9° | 113.7° |
| O14 | C15 | H5 | 108.8° | 109.5° |
| O14 | C15 | H6 | 108.8° | 109.5° |
| C19 | N20 | C21 | 128.1° | 120.0° |
| N20 | C19 | H7 | 108.7° | 109.5° |
| N20 | C19 | H8 | 108.7° | 109.4° |
| C19 | N20 | H21 | 104.6° | 120.0° |
| N20 | C21 | N22 | 123.3° | 124.8° |
| N20 | C21 | S25 | 120.0° | 124.8° |
| C21 | N20 | H21 | 104.7° | 120.0° |
| O14 | C13 | H3 | 109.0° | 109.5° |
| O14 | C13 | H4 | 109.0° | 109.5° |
| N22 | C21 | S25 | 116.5° | 110.4° |
| C21 | N22 | C23 | 110.0° | 117.8° |
| C21 | S25 | C24 | 88.4° | 90.5° |
| N22 | C23 | C26 | 125.6° | 128.7° |
| N22 | C23 | C24 | 115.2° | 112.9° |
| S25 | C24 | C23 | 109.9° | 108.4° |
| S25 | C24 | C29 | 129.0° | 131.2° |
| C26 | C23 | C24 | 119.3° | 118.4° |
| C23 | C26 | C27 | 119.5° | 120.4° |
| C23 | C26 | H22 | 120.2° | 119.8° |
| C23 | C24 | C29 | 121.1° | 120.4° |
| C26 | C27 | C28 | 120.7° | 120.6° |
| C26 | C27 | H9 | 119.7° | 119.7° |
| C27 | C26 | H22 | 120.2° | 119.7° |
| C24 | C29 | C28 | 118.8° | 120.2° |
| C24 | C29 | H10 | 120.6° | 119.9° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C28 | C27 | H9 | 119.6° | 119.7° |
| C27 | C28 | H23 | 119.7° | 120.0° |
| C28 | C29 | H10 | 120.6° | 119.9° |
| C29 | C28 | H23 | 119.7° | 120.0° |
| H1 | C12 | H2 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H11 | C31 | H12 | 109.5° | 109.5° |
| H11 | C31 | H13 | 109.5° | 109.5° |
| H12 | C31 | H13 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | O30 | C1 | C6 | 19.5° | 0.3° |
| C31 | O30 | C1 | C2 | 158.8° | 180.0° |
| O30 | C31 | H11 | H12 | 120.0° | 120.0° |
| O30 | C31 | H11 | H13 | 120.0° | 120.0° |
| O30 | C31 | H12 | H13 | 120.0° | 120.0° |
| N10 | C9 | N8 | H16 | 180.0° | 180.0° |
| C9 | N10 | C5 | C6 | 179.1° | 180.0° |
| C9 | N10 | C5 | C4 | 0.2° | 0.1° |
| N10 | C9 | N8 | C7 | 0.5° | 0.0° |
| C5 | N10 | C9 | N8 | 1.4° | 0.0° |
| N10 | C5 | C6 | C4 | 179.2° | 179.9° |
| N10 | C5 | C6 | C1 | 179.1° | 179.9° |
| N10 | C5 | C4 | C7 | 1.7° | 0.0° |
| N10 | C5 | C4 | C3 | 179.7° | 179.9° |
| N10 | C5 | C6 | H15 | 0.9° | 0.1° |
| C5 | N10 | C9 | H16 | 178.6° | 180.0° |
| C9 | N8 | C7 | C4 | 1.6° | 0.0° |
| C9 | N8 | C7 | N11 | 175.7° | 180.0° |
| C5 | C6 | C1 | H15 | 180.0° | 180.0° |
| C5 | C6 | C1 | O30 | 176.5° | 179.8° |
| C5 | C6 | C1 | C2 | 1.8° | 0.0° |
| C6 | C5 | C4 | C7 | 179.1° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | O30 | C2 | 178.4° | 179.8° |
| C6 | C1 | C2 | C3 | 2.8° | 0.0° |
| C6 | C1 | C2 | O17 | 172.3° | 180.0° |
| C5 | C4 | C7 | N8 | 2.6° | 0.0° |
| C5 | C4 | C7 | C3 | 178.5° | 180.0° |
| C5 | C4 | C7 | N11 | 174.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | H14 | 179.5° | 180.0° |
| C4 | C5 | C6 | H15 | 179.8° | 180.0° |
| O30 | C1 | C2 | C3 | 175.7° | 179.7° |
| O30 | C1 | C2 | O17 | 9.2° | 0.2° |
| C1 | O30 | C31 | H11 | 180.0° | 60.0° |
| C1 | O30 | C31 | H12 | 60.0° | 60.0° |
| C1 | O30 | C31 | H13 | 60.0° | 180.0° |
| O30 | C1 | C6 | H15 | 3.5° | 0.3° |
| C1 | C2 | C3 | C4 | 2.1° | 0.0° |
| C1 | C2 | C3 | O17 | 174.6° | 180.0° |
| C1 | C2 | O17 | C18 | 94.0° | 180.0° |
| C1 | C2 | C3 | H14 | 177.9° | 180.0° |
| C2 | C1 | C6 | H15 | 178.2° | 180.0° |
| N8 | C7 | C4 | N11 | 177.2° | 180.0° |
| N8 | C7 | C4 | C3 | 178.9° | 180.0° |
| N8 | C7 | N11 | C16 | 30.2° | 61.9° |
| N8 | C7 | N11 | C12 | 110.8° | 61.8° |
| C7 | N8 | C9 | H16 | 179.5° | 180.0° |
| C7 | C4 | C3 | C2 | 178.0° | 180.0° |
| C4 | C7 | N11 | C16 | 147.1° | 118.2° |
| C4 | C7 | N11 | C12 | 71.8° | 118.2° |
| C7 | C4 | C3 | H14 | 2.0° | 0.0° |
| C3 | C4 | C7 | N11 | 3.9° | 0.0° |
| C4 | C3 | C2 | H14 | 180.0° | 180.0° |
| C4 | C3 | C2 | O17 | 172.5° | 180.0° |
| C7 | N11 | C16 | C12 | 144.7° | 123.9° |
| C7 | N11 | C16 | C15 | 158.8° | 177.6° |
| C7 | N11 | C12 | C13 | 157.7° | 177.6° |
| C7 | N11 | C12 | H1 | 82.3° | 57.7° |
| C7 | N11 | C12 | H2 | 37.8° | 62.5° |
| C7 | N11 | C16 | H17 | 38.7° | 62.5° |
| C7 | N11 | C16 | H18 | 81.1° | 57.6° |
| C3 | C2 | O17 | C18 | 91.1° | 0.0° |
| C2 | O17 | C18 | C19 | 125.8° | 180.0° |
| O17 | C2 | C3 | H14 | 7.5° | 0.0° |
| C2 | O17 | C18 | H19 | 5.8° | 59.9° |
| C2 | O17 | C18 | H20 | 114.2° | 60.0° |
| O17 | C18 | C19 | H19 | 120.0° | 120.1° |
| O17 | C18 | C19 | H20 | 120.0° | 120.0° |
| O17 | C18 | C19 | N20 | 73.8° | 65.0° |
| O17 | C18 | C19 | H7 | 46.7° | 175.0° |
| O17 | C18 | C19 | H8 | 165.7° | 55.0° |
| O17 | C18 | H19 | H20 | 120.0° | 119.9° |
| N11 | C16 | C15 | H17 | 120.1° | 119.9° |
| N11 | C16 | C15 | H18 | 120.1° | 120.0° |
| C16 | N11 | C12 | C13 | 58.4° | 58.6° |
| N11 | C16 | C15 | O14 | 55.0° | 56.8° |
| C16 | N11 | C12 | H1 | 61.5° | 178.5° |
| C16 | N11 | C12 | H2 | 178.3° | 61.4° |
| N11 | C16 | C15 | H5 | 65.4° | 176.7° |
| N11 | C16 | C15 | H6 | 175.4° | 63.2° |
| N11 | C16 | H17 | H18 | 119.8° | 120.1° |
| C12 | N11 | C16 | C15 | 56.5° | 58.6° |
| N11 | C12 | C13 | H1 | 119.9° | 119.9° |
| N11 | C12 | C13 | H2 | 119.9° | 120.0° |
| N11 | C12 | C13 | O14 | 59.2° | 56.8° |
| N11 | C12 | H1 | H2 | 120.3° | 120.1° |
| N11 | C12 | C13 | H3 | 179.5° | 176.8° |
| N11 | C12 | C13 | H4 | 61.1° | 63.1° |
| C12 | N11 | C16 | H17 | 176.6° | 61.4° |
| C12 | N11 | C16 | H18 | 63.6° | 178.5° |
| C16 | C15 | O14 | H5 | 120.4° | 120.0° |
| C16 | C15 | O14 | H6 | 120.4° | 120.0° |
| C16 | C15 | O14 | C13 | 55.6° | 58.6° |
| C16 | C15 | H5 | H6 | 118.8° | 120.1° |
| C15 | C16 | H17 | H18 | 119.8° | 120.1° |
| C18 | C19 | N20 | H7 | 120.5° | 120.1° |
| C18 | C19 | N20 | H8 | 120.5° | 119.9° |
| C18 | C19 | N20 | C21 | 163.6° | 180.0° |
| C18 | C19 | H7 | H8 | 118.5° | 120.0° |
| C19 | C18 | H19 | H20 | 120.1° | 120.0° |
| C18 | C19 | N20 | H21 | 41.2° | 0.1° |
| C12 | C13 | O14 | C15 | 57.8° | 58.6° |
| C12 | C13 | O14 | H3 | 120.3° | 120.0° |
| C12 | C13 | O14 | H4 | 120.3° | 119.9° |
| C13 | C12 | H1 | H2 | 120.2° | 120.1° |
| C12 | C13 | H3 | H4 | 119.1° | 120.1° |
| C15 | O14 | C13 | H3 | 178.1° | 178.6° |
| C15 | O14 | C13 | H4 | 62.5° | 61.3° |
| O14 | C15 | H5 | H6 | 118.8° | 120.0° |
| O14 | C15 | C16 | H17 | 175.1° | 63.1° |
| O14 | C15 | C16 | H18 | 65.1° | 176.8° |
| C19 | N20 | C21 | H21 | 122.5° | 180.0° |
| C19 | N20 | C21 | N22 | 173.5° | 180.0° |
| C19 | N20 | C21 | S25 | 3.0° | 0.1° |
| N20 | C19 | H7 | H8 | 118.6° | 120.0° |
| N20 | C19 | C18 | H19 | 166.2° | 175.0° |
| N20 | C19 | C18 | H20 | 46.2° | 55.0° |
| N20 | C21 | N22 | S25 | 176.6° | 180.0° |
| N20 | C21 | N22 | C23 | 176.0° | 180.0° |
| N20 | C21 | S25 | C24 | 176.4° | 180.0° |
| C21 | N20 | C19 | H7 | 75.9° | 59.9° |
| C21 | N20 | C19 | H8 | 43.2° | 60.0° |
| O14 | C13 | C12 | H1 | 60.8° | 176.7° |
| O14 | C13 | C12 | H2 | 179.1° | 63.1° |
| O14 | C13 | H3 | H4 | 119.1° | 120.1° |
| C13 | O14 | C15 | H5 | 64.8° | 178.6° |
| C13 | O14 | C15 | H6 | 176.0° | 61.3° |
| N22 | C21 | S25 | C24 | 0.3° | 0.0° |
| C21 | N22 | C23 | C26 | 178.4° | 180.0° |
| C21 | N22 | C23 | C24 | 0.7° | 0.0° |
| N22 | C21 | N20 | H21 | 64.1° | 0.0° |
| S25 | C21 | N22 | C23 | 0.6° | 0.0° |
| C21 | S25 | C24 | C23 | 0.1° | 0.0° |
| C21 | S25 | C24 | C29 | 179.6° | 180.0° |
| S25 | C21 | N20 | H21 | 119.4° | 180.0° |
| N22 | C23 | C24 | S25 | 0.4° | 0.0° |
| N22 | C23 | C26 | C24 | 179.0° | 179.9° |
| N22 | C23 | C26 | C27 | 179.3° | 180.0° |
| N22 | C23 | C24 | C29 | 180.0° | 180.0° |
| N22 | C23 | C26 | H22 | 0.7° | 0.1° |
| S25 | C24 | C23 | C26 | 178.7° | 180.0° |
| S25 | C24 | C23 | C29 | 179.6° | 179.9° |
| S25 | C24 | C29 | C28 | 179.2° | 180.0° |
| S25 | C24 | C29 | H10 | 0.8° | 0.0° |
| C23 | C26 | C27 | H22 | 180.0° | 179.9° |
| C26 | C23 | C24 | C29 | 0.9° | 0.1° |
| C23 | C26 | C27 | C28 | 1.0° | 0.0° |
| C23 | C26 | C27 | H9 | 179.0° | 180.0° |
| C24 | C23 | C26 | C27 | 0.3° | 0.1° |
| C23 | C24 | C29 | C28 | 0.3° | 0.0° |
| C23 | C24 | C29 | H10 | 179.7° | 179.9° |
| C24 | C23 | C26 | H22 | 179.8° | 180.0° |
| C26 | C27 | C28 | H9 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.5° | 0.0° |
| C26 | C27 | C28 | H23 | 178.4° | 179.9° |
| C24 | C29 | C28 | C27 | 0.9° | 0.0° |
| C24 | C29 | C28 | H10 | 180.0° | 180.0° |
| C24 | C29 | C28 | H23 | 179.1° | 179.9° |
| C27 | C28 | C29 | H23 | 180.0° | 179.9° |
| C27 | C28 | C29 | H10 | 179.1° | 180.0° |
| C28 | C27 | C26 | H22 | 179.0° | 180.0° |
| C29 | C28 | C27 | H9 | 178.4° | 180.0° |
| H1 | C12 | C13 | H3 | 59.6° | 63.3° |
| H1 | C12 | C13 | H4 | 178.9° | 56.8° |
| H2 | C12 | C13 | H3 | 60.6° | 56.8° |
| H2 | C12 | C13 | H4 | 58.8° | 176.9° |
| H5 | C15 | C16 | H17 | 54.7° | 56.8° |
| H5 | C15 | C16 | H18 | 174.5° | 63.3° |
| H6 | C15 | C16 | H17 | 64.5° | 176.9° |
| H6 | C15 | C16 | H18 | 55.3° | 56.8° |
| H7 | C19 | C18 | H19 | 73.3° | 54.9° |
| H7 | C19 | C18 | H20 | 166.7° | 65.0° |
| H7 | C19 | N20 | H21 | 161.7° | 120.0° |
| H8 | C19 | C18 | H19 | 45.7° | 65.1° |
| H8 | C19 | C18 | H20 | 74.3° | 175.0° |
| H8 | C19 | N20 | H21 | 79.3° | 120.0° |
| H9 | C27 | C26 | H22 | 1.0° | 0.0° |
| H9 | C27 | C28 | H23 | 1.6° | 0.1° |
| H10 | C29 | C28 | H23 | 0.9° | 0.1° |
| H11 | C31 | H12 | H13 | 120.0° | 120.0° |
