9OG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C02 | sing | 1.39Å | 1.36Å | |
| C03 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.36Å | 1.39Å | Aromatic |
| C02 | N01 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | doub | 1.41Å | 1.39Å | Aromatic |
| N01 | C10 | doub | 1.34Å | 1.34Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C21 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C27 | sing | 1.43Å | 1.28Å | |
| C24 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | N28 | trip | 1.14Å | 1.16Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| N13 | H14 | sing | 1.01Å | 1.00Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C06 | H18 | sing | 1.08Å | 1.08Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C02 | C03 | 121.4° | 119.2° |
| N02 | C02 | N01 | 118.7° | 119.2° |
| C02 | N02 | H19 | 109.5° | 120.1° |
| C02 | N02 | H20 | 109.5° | 120.0° |
| C02 | C03 | C04 | 119.8° | 119.9° |
| C03 | C02 | N01 | 119.9° | 121.6° |
| C02 | C03 | H21 | 120.1° | 120.1° |
| C03 | C04 | C11 | 120.2° | 120.9° |
| C03 | C04 | C05 | 119.1° | 118.2° |
| C04 | C03 | H21 | 120.1° | 120.0° |
| C02 | N01 | C10 | 121.4° | 121.3° |
| C11 | C04 | C05 | 120.7° | 120.9° |
| C04 | C11 | H5 | 109.5° | 109.4° |
| C04 | C11 | H6 | 109.4° | 109.5° |
| C04 | C11 | H7 | 109.5° | 109.5° |
| C04 | C05 | C10 | 119.1° | 119.1° |
| C04 | C05 | C06 | 121.1° | 121.3° |
| N01 | C10 | C05 | 120.8° | 119.9° |
| N01 | C10 | C09 | 118.7° | 121.0° |
| C10 | C05 | C06 | 119.8° | 119.6° |
| C05 | C10 | C09 | 120.5° | 119.1° |
| C05 | C06 | C07 | 119.6° | 119.7° |
| C05 | C06 | H18 | 120.2° | 120.2° |
| C10 | C09 | C08 | 120.1° | 119.7° |
| C10 | C09 | H17 | 120.0° | 120.2° |
| C06 | C07 | C08 | 120.5° | 120.8° |
| C06 | C07 | H16 | 119.7° | 119.5° |
| C07 | C06 | H18 | 120.2° | 120.2° |
| C09 | C08 | C07 | 119.5° | 121.1° |
| C09 | C08 | C12 | 118.9° | 119.5° |
| C08 | C09 | H17 | 119.9° | 120.1° |
| C07 | C08 | C12 | 121.5° | 119.4° |
| C08 | C07 | H16 | 119.8° | 119.6° |
| C08 | C12 | N13 | 110.6° | 109.5° |
| C08 | C12 | H3 | 109.2° | 109.5° |
| C08 | C12 | H4 | 109.2° | 109.5° |
| C12 | N13 | C14 | 108.6° | 111.0° |
| N13 | C12 | H3 | 109.2° | 109.5° |
| N13 | C12 | H4 | 109.2° | 109.4° |
| C12 | N13 | H14 | 109.7° | 111.0° |
| N13 | C14 | C15 | 111.3° | 109.5° |
| N13 | C14 | H1 | 109.0° | 109.5° |
| N13 | C14 | H2 | 109.0° | 109.5° |
| C14 | N13 | H14 | 109.7° | 111.0° |
| C14 | C15 | C21 | 107.7° | 109.5° |
| C15 | C14 | H1 | 109.0° | 109.5° |
| C15 | C14 | H2 | 109.0° | 109.5° |
| C14 | C15 | H8 | 109.9° | 109.5° |
| C14 | C15 | H9 | 109.9° | 109.5° |
| C15 | C21 | C26 | 117.6° | 119.8° |
| C15 | C21 | C22 | 122.4° | 119.8° |
| C21 | C15 | H8 | 109.9° | 109.4° |
| C21 | C15 | H9 | 109.9° | 109.5° |
| C25 | C26 | C21 | 121.1° | 120.2° |
| C26 | C25 | C24 | 118.4° | 119.8° |
| C26 | C25 | H12 | 120.8° | 120.1° |
| C25 | C26 | H13 | 119.5° | 119.9° |
| C26 | C21 | C22 | 120.0° | 120.3° |
| C21 | C26 | H13 | 119.4° | 120.0° |
| C25 | C24 | C27 | 119.8° | 120.2° |
| C25 | C24 | C23 | 120.4° | 119.7° |
| C24 | C25 | H12 | 120.8° | 120.1° |
| C21 | C22 | C23 | 118.8° | 120.1° |
| C21 | C22 | H11 | 120.6° | 120.0° |
| C27 | C24 | C23 | 119.8° | 120.2° |
| C24 | C27 | N28 | 176.6° | 179.9° |
| C24 | C23 | C22 | 121.4° | 119.8° |
| C24 | C23 | H10 | 119.3° | 120.1° |
| C22 | C23 | H10 | 119.3° | 120.1° |
| C23 | C22 | H11 | 120.6° | 119.9° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.4° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H19 | N02 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C02 | C03 | N01 | 179.2° | 179.9° |
| N02 | C02 | C03 | C04 | 179.9° | 179.8° |
| N02 | C02 | N01 | C10 | 180.0° | 180.0° |
| C02 | N02 | H19 | H20 | 120.0° | 180.0° |
| N02 | C02 | C03 | H21 | 0.1° | 0.1° |
| C02 | C03 | C04 | H21 | 180.0° | 179.8° |
| C02 | C03 | C04 | C11 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C03 | C02 | N01 | C10 | 0.8° | 0.0° |
| C03 | C02 | N02 | H19 | 179.2° | 180.0° |
| C03 | C02 | N02 | H20 | 59.2° | 0.0° |
| C04 | C03 | C02 | N01 | 0.9° | 0.2° |
| C03 | C04 | C11 | C05 | 180.0° | 179.8° |
| C03 | C04 | C05 | C10 | 0.3° | 0.1° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C03 | C04 | C11 | H5 | 90.0° | 90.0° |
| C03 | C04 | C11 | H6 | 150.0° | 150.0° |
| C03 | C04 | C11 | H7 | 30.0° | 29.9° |
| C02 | N01 | C10 | C05 | 0.1° | 0.3° |
| C02 | N01 | C10 | C09 | 179.5° | 180.0° |
| N01 | C02 | N02 | H19 | 0.0° | 0.0° |
| N01 | C02 | N02 | H20 | 120.0° | 179.9° |
| N01 | C02 | C03 | H21 | 179.1° | 180.0° |
| C11 | C04 | C05 | C10 | 179.7° | 179.7° |
| C11 | C04 | C05 | C06 | 0.1° | 0.2° |
| C04 | C11 | H5 | H6 | 120.0° | 120.0° |
| C04 | C11 | H5 | H7 | 120.0° | 119.9° |
| C04 | C11 | H6 | H7 | 120.0° | 120.1° |
| C11 | C04 | C03 | H21 | 0.3° | 0.2° |
| C04 | C05 | C10 | N01 | 0.4° | 0.3° |
| C04 | C05 | C10 | C06 | 179.8° | 179.9° |
| C04 | C05 | C10 | C09 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C05 | C04 | C11 | H5 | 90.0° | 89.8° |
| C05 | C04 | C11 | H6 | 30.0° | 30.2° |
| C05 | C04 | C11 | H7 | 150.0° | 150.3° |
| C04 | C05 | C06 | H18 | 0.1° | 0.0° |
| C05 | C04 | C03 | H21 | 179.6° | 180.0° |
| N01 | C10 | C05 | C09 | 179.6° | 179.7° |
| N01 | C10 | C05 | C06 | 179.8° | 179.7° |
| N01 | C10 | C09 | C08 | 179.7° | 179.7° |
| N01 | C10 | C09 | H17 | 0.3° | 0.3° |
| C10 | C05 | C06 | C07 | 0.2° | 0.1° |
| C05 | C10 | C09 | C08 | 0.1° | 0.0° |
| C05 | C10 | C09 | H17 | 179.9° | 180.0° |
| C10 | C05 | C06 | H18 | 179.8° | 180.0° |
| C06 | C05 | C10 | C09 | 0.2° | 0.0° |
| C05 | C06 | C07 | H18 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.1° |
| C05 | C06 | C07 | H16 | 179.7° | 179.9° |
| C10 | C09 | C08 | H17 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.0° |
| C10 | C09 | C08 | C12 | 179.8° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C06 | C07 | C08 | H16 | 180.0° | 180.0° |
| C06 | C07 | C08 | C12 | 179.7° | 180.0° |
| C09 | C08 | C07 | C12 | 179.9° | 180.0° |
| C09 | C08 | C12 | N13 | 179.6° | 90.0° |
| C09 | C08 | C12 | H3 | 59.4° | 150.0° |
| C09 | C08 | C12 | H4 | 60.2° | 29.9° |
| C09 | C08 | C07 | H16 | 179.8° | 179.9° |
| C07 | C08 | C12 | N13 | 0.3° | 90.0° |
| C07 | C08 | C12 | H3 | 120.5° | 30.0° |
| C07 | C08 | C12 | H4 | 119.9° | 150.1° |
| C07 | C08 | C09 | H17 | 179.8° | 180.0° |
| C08 | C07 | C06 | H18 | 179.7° | 180.0° |
| C08 | C12 | N13 | H3 | 120.2° | 120.1° |
| C08 | C12 | N13 | H4 | 120.2° | 120.0° |
| C08 | C12 | N13 | C14 | 154.9° | 180.0° |
| C08 | C12 | H3 | H4 | 119.4° | 120.1° |
| C08 | C12 | N13 | H14 | 85.2° | 56.1° |
| C12 | C08 | C07 | H16 | 0.3° | 0.1° |
| C12 | C08 | C09 | H17 | 0.3° | 0.0° |
| C12 | N13 | C14 | H14 | 119.9° | 123.9° |
| C12 | N13 | C14 | C15 | 75.0° | 180.0° |
| C12 | N13 | C14 | H1 | 164.7° | 60.0° |
| C12 | N13 | C14 | H2 | 45.2° | 60.1° |
| N13 | C12 | H3 | H4 | 119.5° | 119.9° |
| N13 | C14 | C15 | H1 | 120.3° | 120.0° |
| N13 | C14 | C15 | H2 | 120.3° | 120.0° |
| N13 | C14 | C15 | C21 | 147.5° | 180.0° |
| N13 | C14 | H1 | H2 | 119.2° | 120.0° |
| C14 | N13 | C12 | H3 | 34.7° | 59.9° |
| C14 | N13 | C12 | H4 | 84.9° | 60.0° |
| N13 | C14 | C15 | H8 | 92.8° | 60.0° |
| N13 | C14 | C15 | H9 | 27.8° | 60.0° |
| C14 | C15 | C21 | H8 | 119.7° | 120.0° |
| C14 | C15 | C21 | H9 | 119.7° | 120.0° |
| C14 | C15 | C21 | C26 | 2.5° | 90.0° |
| C14 | C15 | C21 | C22 | 177.5° | 90.3° |
| C15 | C14 | H1 | H2 | 119.1° | 120.0° |
| C14 | C15 | H8 | H9 | 120.8° | 120.0° |
| C15 | C14 | N13 | H14 | 44.8° | 56.0° |
| C15 | C21 | C26 | C25 | 180.0° | 180.0° |
| C15 | C21 | C26 | C22 | 180.0° | 179.7° |
| C15 | C21 | C22 | C23 | 180.0° | 180.0° |
| C21 | C15 | C14 | H1 | 27.2° | 60.0° |
| C21 | C15 | C14 | H2 | 92.2° | 60.0° |
| C21 | C15 | H8 | H9 | 120.8° | 120.0° |
| C15 | C21 | C22 | H11 | 0.1° | 0.0° |
| C15 | C21 | C26 | H13 | 0.0° | 0.0° |
| C25 | C26 | C21 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.0° | 0.3° |
| C26 | C25 | C24 | C27 | 179.4° | 180.0° |
| C26 | C25 | C24 | C23 | 0.9° | 0.3° |
| C21 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C15 | H8 | 122.2° | 30.0° |
| C26 | C21 | C15 | H9 | 117.2° | 150.0° |
| C26 | C21 | C22 | H11 | 180.0° | 179.7° |
| C21 | C26 | C25 | H12 | 179.6° | 180.0° |
| C25 | C24 | C27 | C23 | 178.5° | 179.6° |
| C25 | C24 | C23 | C22 | 0.9° | 0.3° |
| C25 | C24 | C27 | N28 | 9.0° | 85.2° |
| C25 | C24 | C23 | H10 | 179.1° | 179.7° |
| C24 | C25 | C26 | H13 | 179.6° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C22 | C21 | C15 | H8 | 57.8° | 149.7° |
| C22 | C21 | C15 | H9 | 62.8° | 29.7° |
| C21 | C22 | C23 | H10 | 179.6° | 179.9° |
| C22 | C21 | C26 | H13 | 180.0° | 179.7° |
| C27 | C24 | C23 | C22 | 179.4° | 180.0° |
| C27 | C24 | C23 | H10 | 0.6° | 0.1° |
| C27 | C24 | C25 | H12 | 0.6° | 0.0° |
| C24 | C23 | C22 | H10 | 180.0° | 179.9° |
| C23 | C24 | C27 | N28 | 172.5° | 95.2° |
| C24 | C23 | C22 | H11 | 179.6° | 180.0° |
| C23 | C24 | C25 | H12 | 179.1° | 179.7° |
| H1 | C14 | C15 | H8 | 146.9° | 59.9° |
| H1 | C14 | C15 | H9 | 92.5° | 180.0° |
| H1 | C14 | N13 | H14 | 75.5° | 63.9° |
| H2 | C14 | C15 | H8 | 27.5° | 180.0° |
| H2 | C14 | C15 | H9 | 148.1° | 60.0° |
| H2 | C14 | N13 | H14 | 165.1° | 176.0° |
| H3 | C12 | N13 | H14 | 154.6° | 64.0° |
| H4 | C12 | N13 | H14 | 35.0° | 176.0° |
| H5 | C11 | H6 | H7 | 120.0° | 119.9° |
| H10 | C23 | C22 | H11 | 0.4° | 0.1° |
| H12 | C25 | C26 | H13 | 0.4° | 0.0° |
| H16 | C07 | C06 | H18 | 0.3° | 0.1° |
