08G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C02 | sing | 1.51Å | 1.53Å | |
| N03 | C02 | sing | 1.47Å | 1.46Å | |
| N03 | C04 | sing | 1.35Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C04 | O05 | doub | 1.22Å | 1.19Å | |
| C04 | N06 | sing | 1.35Å | 1.44Å | |
| N06 | C07 | sing | 1.40Å | 1.44Å | |
| C07 | N17 | sing | 1.33Å | 1.31Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| N17 | C14 | doub | 1.31Å | 1.30Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| O16 | C15 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C13 | doub | 1.41Å | 1.37Å | Aromatic |
| C09 | N10 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.46Å | 1.42Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | N11 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| N03 | H14 | sing | 0.97Å | 1.00Å | |
| N06 | H15 | sing | 0.97Å | 1.00Å | |
| N10 | H16 | sing | 0.97Å | 1.00Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 120.1° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H6 | 120.0° | 120.0° |
| C21 | C22 | H7 | 119.9° | 120.0° |
| C22 | C23 | C18 | 119.9° | 120.0° |
| C23 | C22 | H7 | 119.9° | 120.0° |
| C22 | C23 | H13 | 120.0° | 120.0° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C21 | C20 | H5 | 120.2° | 120.0° |
| C20 | C21 | H6 | 120.0° | 120.0° |
| C23 | C18 | C19 | 119.6° | 120.0° |
| C23 | C18 | C02 | 121.2° | 120.0° |
| C18 | C23 | H13 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.6° | 120.0° |
| C20 | C19 | H4 | 119.7° | 120.0° |
| C19 | C20 | H5 | 120.2° | 120.0° |
| C19 | C18 | C02 | 119.2° | 120.0° |
| C18 | C19 | H4 | 119.7° | 120.0° |
| C18 | C02 | N03 | 112.1° | 109.4° |
| C18 | C02 | C01 | 112.9° | 109.5° |
| C18 | C02 | H11 | 105.3° | 109.5° |
| C02 | N03 | C04 | 114.2° | 120.0° |
| N03 | C02 | C01 | 114.1° | 109.5° |
| N03 | C02 | H11 | 106.1° | 109.5° |
| C02 | N03 | H14 | 122.9° | 120.0° |
| N03 | C04 | O05 | 124.2° | 120.0° |
| N03 | C04 | N06 | 109.5° | 120.0° |
| C04 | N03 | H14 | 122.9° | 120.0° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.4° | 109.4° |
| C02 | C01 | H10 | 109.4° | 109.4° |
| C01 | C02 | H11 | 105.3° | 109.5° |
| O05 | C04 | N06 | 126.2° | 120.0° |
| C04 | N06 | C07 | 140.0° | 119.9° |
| C04 | N06 | H15 | 110.0° | 120.0° |
| N06 | C07 | N17 | 107.5° | 119.4° |
| N06 | C07 | C08 | 130.3° | 119.3° |
| C07 | N06 | H15 | 110.0° | 120.0° |
| N17 | C07 | C08 | 122.1° | 121.3° |
| C07 | N17 | C14 | 122.9° | 122.3° |
| C07 | C08 | C09 | 116.2° | 118.8° |
| C07 | C08 | H12 | 121.9° | 120.6° |
| N17 | C14 | C15 | 117.3° | 119.9° |
| N17 | C14 | C13 | 120.3° | 120.2° |
| C08 | C09 | C13 | 119.5° | 118.3° |
| C08 | C09 | N10 | 134.4° | 134.9° |
| C09 | C08 | H12 | 121.9° | 120.6° |
| O16 | C15 | C14 | 106.7° | 109.5° |
| O16 | C15 | H2 | 110.1° | 109.5° |
| O16 | C15 | H3 | 110.2° | 109.5° |
| C15 | O16 | H17 | 109.5° | 114.0° |
| C15 | C14 | C13 | 122.4° | 119.9° |
| C14 | C15 | H2 | 110.2° | 109.5° |
| C14 | C15 | H3 | 110.1° | 109.4° |
| C14 | C13 | C09 | 118.9° | 119.1° |
| C14 | C13 | C12 | 133.1° | 134.8° |
| C13 | C09 | N10 | 106.0° | 106.8° |
| C09 | C13 | C12 | 108.0° | 106.1° |
| C09 | N10 | N11 | 109.9° | 109.1° |
| C09 | N10 | H16 | 125.0° | 125.5° |
| C13 | C12 | N11 | 106.9° | 107.8° |
| C13 | C12 | H1 | 126.5° | 126.1° |
| N10 | N11 | C12 | 109.2° | 110.1° |
| N11 | N10 | H16 | 125.0° | 125.5° |
| N11 | C12 | H1 | 126.6° | 126.1° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.3° | 0.3° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H5 | 179.6° | 180.0° |
| C21 | C22 | C23 | H13 | 179.7° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C22 | C23 | C18 | H13 | 180.0° | 179.8° |
| C22 | C23 | C18 | C19 | 0.9° | 0.5° |
| C22 | C23 | C18 | C02 | 179.9° | 179.7° |
| C23 | C22 | C21 | H6 | 179.9° | 180.0° |
| C21 | C20 | C19 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.0° | 0.3° |
| C21 | C20 | C19 | H4 | 179.0° | 179.9° |
| C20 | C21 | C22 | H7 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 1.2° | 0.5° |
| C23 | C18 | C19 | C02 | 179.3° | 179.8° |
| C23 | C18 | C02 | N03 | 60.3° | 39.7° |
| C23 | C18 | C02 | C01 | 70.3° | 80.2° |
| C23 | C18 | C19 | H4 | 178.8° | 179.7° |
| C18 | C23 | C22 | H7 | 179.7° | 179.8° |
| C23 | C18 | C02 | H11 | 175.2° | 159.7° |
| C20 | C19 | C18 | H4 | 180.0° | 179.8° |
| C20 | C19 | C18 | C02 | 179.5° | 179.7° |
| C19 | C20 | C21 | H6 | 179.5° | 180.0° |
| C19 | C18 | C02 | N03 | 120.5° | 140.0° |
| C19 | C18 | C02 | C01 | 108.9° | 100.0° |
| C18 | C19 | C20 | H5 | 179.0° | 179.8° |
| C19 | C18 | C02 | H11 | 5.5° | 20.1° |
| C19 | C18 | C23 | H13 | 179.1° | 179.7° |
| C18 | C02 | N03 | C01 | 130.0° | 120.0° |
| C18 | C02 | N03 | H11 | 114.5° | 120.0° |
| C18 | C02 | N03 | C04 | 128.3° | 155.0° |
| C18 | C02 | C01 | H11 | 114.4° | 120.0° |
| C02 | C18 | C19 | H4 | 0.5° | 0.1° |
| C18 | C02 | C01 | H8 | 180.0° | 180.0° |
| C18 | C02 | C01 | H9 | 60.0° | 60.0° |
| C18 | C02 | C01 | H10 | 60.0° | 60.0° |
| C02 | C18 | C23 | H13 | 0.1° | 0.0° |
| C18 | C02 | N03 | H14 | 51.7° | 25.0° |
| C02 | N03 | C04 | H14 | 180.0° | 180.0° |
| N03 | C02 | C01 | H11 | 115.9° | 120.0° |
| C02 | N03 | C04 | O05 | 179.7° | 0.0° |
| C02 | N03 | C04 | N06 | 0.0° | 180.0° |
| N03 | C02 | C01 | H8 | 50.4° | 60.0° |
| N03 | C02 | C01 | H9 | 69.6° | 60.0° |
| N03 | C02 | C01 | H10 | 170.4° | 180.0° |
| C04 | N03 | C02 | C01 | 101.7° | 85.0° |
| N03 | C04 | O05 | N06 | 179.7° | 180.0° |
| N03 | C04 | N06 | C07 | 178.2° | 174.9° |
| C04 | N03 | C02 | H11 | 13.8° | 35.0° |
| N03 | C04 | N06 | H15 | 1.8° | 5.1° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | N03 | H14 | 78.3° | 95.0° |
| O05 | C04 | N06 | C07 | 2.1° | 5.1° |
| O05 | C04 | N03 | H14 | 0.3° | 180.0° |
| O05 | C04 | N06 | H15 | 177.9° | 174.9° |
| C04 | N06 | C07 | H15 | 180.0° | 180.0° |
| C04 | N06 | C07 | N17 | 175.0° | 5.1° |
| C04 | N06 | C07 | C08 | 3.7° | 174.9° |
| N06 | C04 | N03 | H14 | 180.0° | 0.0° |
| N06 | C07 | N17 | C08 | 178.9° | 180.0° |
| N06 | C07 | N17 | C14 | 179.6° | 180.0° |
| N06 | C07 | C08 | C09 | 179.4° | 180.0° |
| N06 | C07 | C08 | H12 | 0.6° | 0.0° |
| N17 | C07 | C08 | C09 | 0.8° | 0.1° |
| C07 | N17 | C14 | C15 | 179.9° | 180.0° |
| C07 | N17 | C14 | C13 | 0.3° | 0.0° |
| N17 | C07 | C08 | H12 | 179.2° | 180.0° |
| N17 | C07 | N06 | H15 | 4.9° | 174.9° |
| C08 | C07 | N17 | C14 | 0.7° | 0.0° |
| C07 | C08 | C09 | H12 | 180.0° | 179.9° |
| C07 | C08 | C09 | C13 | 0.6° | 0.0° |
| C07 | C08 | C09 | N10 | 179.9° | 180.0° |
| C08 | C07 | N06 | H15 | 176.3° | 5.1° |
| N17 | C14 | C15 | O16 | 13.4° | 90.0° |
| N17 | C14 | C15 | C13 | 179.8° | 180.0° |
| N17 | C14 | C13 | C09 | 0.1° | 0.0° |
| N17 | C14 | C13 | C12 | 180.0° | 180.0° |
| N17 | C14 | C15 | H2 | 133.0° | 30.0° |
| N17 | C14 | C15 | H3 | 106.1° | 150.0° |
| C08 | C09 | C13 | C14 | 0.3° | 0.0° |
| C08 | C09 | C13 | N10 | 179.5° | 180.0° |
| C08 | C09 | C13 | C12 | 179.7° | 180.0° |
| C08 | C09 | N10 | N11 | 179.7° | 180.0° |
| C08 | C09 | N10 | H16 | 0.3° | 0.1° |
| O16 | C15 | C14 | H2 | 119.6° | 120.0° |
| O16 | C15 | C14 | H3 | 119.6° | 120.0° |
| O16 | C15 | C14 | C13 | 166.3° | 90.0° |
| O16 | C15 | H2 | H3 | 121.3° | 120.0° |
| C15 | C14 | C13 | C09 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | H2 | H3 | 121.3° | 119.9° |
| C14 | C15 | O16 | H17 | 180.0° | 180.0° |
| C14 | C13 | C09 | C12 | 180.0° | 179.9° |
| C14 | C13 | C09 | N10 | 179.8° | 180.0° |
| C14 | C13 | C12 | N11 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 0.1° | 0.2° |
| C13 | C14 | C15 | H2 | 46.8° | 150.0° |
| C13 | C14 | C15 | H3 | 74.1° | 30.0° |
| C13 | C09 | N10 | N11 | 0.4° | 0.0° |
| C09 | C13 | C12 | N11 | 0.1° | 0.0° |
| C09 | C13 | C12 | H1 | 179.9° | 179.7° |
| C13 | C09 | C08 | H12 | 179.3° | 180.0° |
| C13 | C09 | N10 | H16 | 179.6° | 179.9° |
| N10 | C09 | C13 | C12 | 0.3° | 0.0° |
| C09 | N10 | N11 | H16 | 180.0° | 180.0° |
| C09 | N10 | N11 | C12 | 0.3° | 0.0° |
| N10 | C09 | C08 | H12 | 0.1° | 0.0° |
| C13 | C12 | N11 | N10 | 0.1° | 0.0° |
| C13 | C12 | N11 | H1 | 180.0° | 179.8° |
| N10 | N11 | C12 | H1 | 179.9° | 179.8° |
| C12 | N11 | N10 | H16 | 179.7° | 180.0° |
| H2 | C15 | O16 | H17 | 60.4° | 60.0° |
| H3 | C15 | O16 | H17 | 60.5° | 60.0° |
| H4 | C19 | C20 | H5 | 1.0° | 0.0° |
| H5 | C20 | C21 | H6 | 0.5° | 0.0° |
| H6 | C21 | C22 | H7 | 0.1° | 0.1° |
| H7 | C22 | C23 | H13 | 0.3° | 0.1° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 65.6° | 60.0° |
| H9 | C01 | C02 | H11 | 174.4° | 180.0° |
| H10 | C01 | C02 | H11 | 54.4° | 60.0° |
| H11 | C02 | N03 | H14 | 166.2° | 145.0° |
