ODG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | trip | 1.14Å | 1.13Å | |
| C18 | C17 | sing | 1.43Å | 1.52Å | |
| C17 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | N16 | doub | 1.33Å | 1.31Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| N16 | N15 | sing | 1.28Å | 1.34Å | Aromatic |
| C21 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| N15 | C14 | doub | 1.33Å | 1.30Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.45Å | |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| N13 | C02 | sing | 1.47Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.42Å | |
| C01 | N10 | sing | 1.47Å | 1.42Å | |
| N10 | C09 | sing | 1.35Å | 1.45Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | O24 | doub | 1.21Å | 1.19Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C25 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 178.8° | 180.0° |
| C18 | C17 | C20 | 118.9° | 120.1° |
| C18 | C17 | N16 | 119.2° | 120.1° |
| C20 | C17 | N16 | 121.9° | 119.8° |
| C17 | C20 | C21 | 117.4° | 118.0° |
| C17 | C20 | H1 | 121.3° | 121.0° |
| C17 | N16 | N15 | 120.4° | 122.1° |
| C20 | C21 | C14 | 116.6° | 118.0° |
| C21 | C20 | H1 | 121.3° | 121.0° |
| C20 | C21 | H2 | 121.7° | 121.0° |
| N16 | N15 | C14 | 122.0° | 122.1° |
| C21 | C14 | N15 | 121.8° | 120.0° |
| C21 | C14 | N13 | 119.0° | 120.0° |
| C14 | C21 | H2 | 121.7° | 121.0° |
| N15 | C14 | N13 | 119.2° | 120.0° |
| C14 | N13 | C12 | 122.6° | 111.0° |
| C14 | N13 | C02 | 123.5° | 111.0° |
| C12 | N13 | C02 | 110.8° | 111.3° |
| N13 | C12 | C11 | 108.9° | 109.3° |
| N13 | C12 | H17 | 109.6° | 109.5° |
| N13 | C12 | H18 | 109.6° | 109.5° |
| N13 | C02 | C01 | 108.1° | 109.3° |
| N13 | C02 | H9 | 109.8° | 109.5° |
| N13 | C02 | H10 | 109.8° | 109.5° |
| C12 | C11 | N10 | 110.9° | 108.5° |
| C12 | C11 | H15 | 109.1° | 109.6° |
| C12 | C11 | H16 | 109.1° | 109.8° |
| C11 | C12 | H17 | 109.6° | 109.5° |
| C11 | C12 | H18 | 109.6° | 109.5° |
| C02 | C01 | N10 | 108.6° | 108.5° |
| C02 | C01 | H7 | 109.7° | 109.7° |
| C02 | C01 | H8 | 109.7° | 109.8° |
| C01 | C02 | H9 | 109.8° | 109.5° |
| C01 | C02 | H10 | 109.8° | 109.5° |
| C11 | N10 | C01 | 116.1° | 118.2° |
| C11 | N10 | C09 | 120.9° | 120.9° |
| N10 | C11 | H15 | 109.1° | 109.7° |
| N10 | C11 | H16 | 109.1° | 109.6° |
| C01 | N10 | C09 | 123.0° | 120.9° |
| N10 | C01 | H7 | 109.7° | 109.6° |
| N10 | C01 | H8 | 109.7° | 109.6° |
| N10 | C09 | C08 | 116.1° | 120.0° |
| N10 | C09 | O24 | 121.0° | 120.0° |
| C08 | C09 | O24 | 123.0° | 120.0° |
| C09 | C08 | C07 | 110.2° | 109.5° |
| C09 | C08 | H13 | 109.3° | 109.5° |
| C09 | C08 | H14 | 109.3° | 109.5° |
| C08 | C07 | C25 | 119.6° | 120.0° |
| C08 | C07 | C06 | 119.2° | 120.0° |
| C07 | C08 | H13 | 109.3° | 109.5° |
| C07 | C08 | H14 | 109.3° | 109.5° |
| C07 | C25 | C26 | 119.7° | 120.0° |
| C25 | C07 | C06 | 121.2° | 120.0° |
| C07 | C25 | H21 | 120.1° | 120.0° |
| C25 | C26 | C04 | 119.4° | 120.0° |
| C25 | C26 | H6 | 120.3° | 120.0° |
| C26 | C25 | H21 | 120.1° | 120.0° |
| C07 | C06 | C05 | 119.3° | 120.1° |
| C07 | C06 | H12 | 120.3° | 120.0° |
| C26 | C04 | C05 | 120.6° | 120.0° |
| C26 | C04 | C22 | 118.6° | 120.0° |
| C04 | C26 | H6 | 120.3° | 120.0° |
| C06 | C05 | C04 | 119.7° | 120.0° |
| C06 | C05 | H11 | 120.1° | 120.0° |
| C05 | C06 | H12 | 120.3° | 119.9° |
| C05 | C04 | C22 | 120.8° | 120.0° |
| C04 | C05 | H11 | 120.1° | 120.0° |
| C04 | C22 | C23 | 132.1° | 117.5° |
| C04 | C22 | C24 | 124.8° | 117.5° |
| C04 | C22 | H3 | 110.2° | 115.6° |
| C23 | C22 | C24 | 59.9° | 60.0° |
| C22 | C23 | C24 | 60.1° | 60.0° |
| C23 | C22 | H3 | 110.3° | 117.5° |
| C22 | C23 | H19 | 120.0° | 117.5° |
| C22 | C23 | H20 | 120.0° | 117.5° |
| C22 | C24 | C23 | 60.0° | 60.0° |
| C24 | C22 | H3 | 110.3° | 117.5° |
| C22 | C24 | H4 | 120.0° | 117.6° |
| C22 | C24 | H5 | 120.0° | 117.5° |
| C23 | C24 | H4 | 120.0° | 117.5° |
| C23 | C24 | H5 | 120.0° | 117.5° |
| C24 | C23 | H19 | 120.0° | 117.5° |
| C24 | C23 | H20 | 120.0° | 117.5° |
| H4 | C24 | H5 | 109.5° | 115.5° |
| H7 | C01 | H8 | 109.5° | 109.6° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.6° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | C20 | 21.1° | 119.1° |
| N19 | C18 | C17 | N16 | 159.3° | 61.2° |
| C18 | C17 | C20 | N16 | 179.6° | 179.7° |
| C18 | C17 | C20 | C21 | 179.6° | 179.7° |
| C18 | C17 | N16 | N15 | 179.8° | 179.7° |
| C18 | C17 | C20 | H1 | 0.4° | 0.3° |
| C17 | C20 | C21 | H1 | 180.0° | 180.0° |
| C20 | C17 | N16 | N15 | 0.2° | 0.1° |
| C17 | C20 | C21 | C14 | 0.0° | 0.0° |
| C17 | C20 | C21 | H2 | 180.0° | 180.0° |
| N16 | C17 | C20 | C21 | 0.0° | 0.0° |
| C17 | N16 | N15 | C14 | 0.3° | 0.1° |
| N16 | C17 | C20 | H1 | 180.0° | 180.0° |
| C20 | C21 | C14 | H2 | 180.0° | 180.0° |
| C20 | C21 | C14 | N15 | 0.1° | 0.0° |
| C20 | C21 | C14 | N13 | 179.5° | 180.0° |
| N16 | N15 | C14 | C21 | 0.3° | 0.0° |
| N16 | N15 | C14 | N13 | 179.3° | 180.0° |
| C21 | C14 | N15 | N13 | 179.6° | 180.0° |
| C21 | C14 | N13 | C12 | 22.2° | 180.0° |
| C21 | C14 | N13 | C02 | 179.6° | 55.7° |
| C14 | C21 | C20 | H1 | 179.9° | 180.0° |
| N15 | C14 | N13 | C12 | 158.2° | 0.0° |
| N15 | C14 | N13 | C02 | 0.0° | 124.3° |
| N15 | C14 | C21 | H2 | 179.9° | 180.0° |
| C14 | N13 | C12 | C02 | 160.7° | 124.1° |
| C14 | N13 | C12 | C11 | 142.8° | 172.7° |
| C14 | N13 | C02 | C01 | 139.3° | 172.8° |
| N13 | C14 | C21 | H2 | 0.5° | 0.0° |
| C14 | N13 | C02 | H9 | 100.9° | 52.8° |
| C14 | N13 | C02 | H10 | 19.5° | 67.3° |
| C14 | N13 | C12 | H17 | 22.9° | 67.3° |
| C14 | N13 | C12 | H18 | 97.3° | 52.8° |
| N13 | C12 | C11 | H17 | 119.9° | 119.9° |
| N13 | C12 | C11 | H18 | 119.9° | 119.9° |
| C12 | N13 | C02 | C01 | 60.3° | 63.1° |
| N13 | C12 | C11 | N10 | 52.1° | 53.9° |
| C12 | N13 | C02 | H9 | 59.5° | 176.9° |
| C12 | N13 | C02 | H10 | 180.0° | 56.8° |
| N13 | C12 | C11 | H15 | 68.2° | 65.9° |
| N13 | C12 | C11 | H16 | 172.3° | 173.6° |
| N13 | C12 | H17 | H18 | 120.2° | 120.0° |
| C02 | N13 | C12 | C11 | 56.6° | 63.1° |
| N13 | C02 | C01 | H9 | 119.8° | 120.0° |
| N13 | C02 | C01 | H10 | 119.8° | 120.0° |
| N13 | C02 | C01 | N10 | 58.7° | 53.8° |
| N13 | C02 | C01 | H7 | 178.6° | 173.5° |
| N13 | C02 | C01 | H8 | 61.1° | 66.0° |
| N13 | C02 | H9 | H10 | 120.6° | 120.1° |
| C02 | N13 | C12 | H17 | 176.5° | 56.8° |
| C02 | N13 | C12 | H18 | 63.3° | 176.9° |
| C12 | C11 | N10 | H15 | 120.2° | 119.7° |
| C12 | C11 | N10 | H16 | 120.3° | 119.8° |
| C12 | C11 | N10 | C01 | 55.9° | 51.3° |
| C12 | C11 | N10 | C09 | 124.7° | 128.8° |
| C12 | C11 | H15 | H16 | 119.3° | 120.6° |
| C11 | C12 | H17 | H18 | 120.3° | 120.1° |
| C02 | C01 | N10 | C11 | 58.9° | 51.2° |
| C02 | C01 | N10 | H7 | 119.9° | 119.7° |
| C02 | C01 | N10 | H8 | 119.9° | 119.9° |
| C02 | C01 | N10 | C09 | 121.7° | 128.9° |
| C02 | C01 | H7 | H8 | 120.4° | 120.6° |
| C01 | C02 | H9 | H10 | 120.6° | 120.0° |
| C11 | N10 | C01 | C09 | 179.4° | 179.9° |
| C11 | N10 | C09 | C08 | 0.2° | 0.1° |
| C11 | N10 | C09 | O24 | 179.2° | 179.9° |
| C11 | N10 | C01 | H7 | 178.7° | 171.0° |
| C11 | N10 | C01 | H8 | 61.0° | 68.7° |
| N10 | C11 | H15 | H16 | 119.3° | 120.4° |
| N10 | C11 | C12 | H17 | 172.0° | 66.1° |
| N10 | C11 | C12 | H18 | 67.8° | 173.8° |
| C01 | N10 | C09 | C08 | 179.6° | 180.0° |
| C01 | N10 | C09 | O24 | 0.2° | 0.0° |
| N10 | C01 | H7 | H8 | 120.4° | 120.4° |
| N10 | C01 | C02 | H9 | 61.1° | 173.8° |
| N10 | C01 | C02 | H10 | 178.5° | 66.1° |
| C01 | N10 | C11 | H15 | 64.3° | 68.5° |
| C01 | N10 | C11 | H16 | 176.1° | 171.1° |
| N10 | C09 | C08 | O24 | 179.4° | 180.0° |
| N10 | C09 | C08 | C07 | 158.8° | 180.0° |
| C09 | N10 | C01 | H7 | 1.9° | 9.1° |
| C09 | N10 | C01 | H8 | 118.4° | 111.3° |
| N10 | C09 | C08 | H13 | 38.6° | 60.0° |
| N10 | C09 | C08 | H14 | 81.1° | 60.0° |
| C09 | N10 | C11 | H15 | 115.1° | 111.5° |
| C09 | N10 | C11 | H16 | 4.5° | 9.0° |
| C09 | C08 | C07 | H13 | 120.1° | 120.0° |
| C09 | C08 | C07 | H14 | 120.1° | 120.0° |
| C09 | C08 | C07 | C25 | 75.8° | 89.7° |
| C09 | C08 | C07 | C06 | 103.7° | 90.0° |
| C09 | C08 | H13 | H14 | 119.7° | 120.0° |
| O24 | C09 | C08 | C07 | 20.6° | 0.0° |
| O24 | C09 | C08 | H13 | 140.7° | 120.0° |
| O24 | C09 | C08 | H14 | 99.5° | 119.9° |
| C08 | C07 | C25 | C06 | 179.5° | 179.8° |
| C08 | C07 | C25 | C26 | 179.6° | 179.7° |
| C08 | C07 | C06 | C05 | 179.6° | 180.0° |
| C08 | C07 | C06 | H12 | 0.4° | 0.0° |
| C07 | C08 | H13 | H14 | 119.7° | 120.0° |
| C08 | C07 | C25 | H21 | 0.4° | 0.2° |
| C07 | C25 | C26 | H21 | 180.0° | 179.5° |
| C07 | C25 | C26 | C04 | 0.7° | 0.5° |
| C25 | C07 | C06 | C05 | 0.9° | 0.3° |
| C07 | C25 | C26 | H6 | 179.3° | 179.8° |
| C25 | C07 | C06 | H12 | 179.1° | 179.8° |
| C25 | C07 | C08 | H13 | 44.3° | 30.2° |
| C25 | C07 | C08 | H14 | 164.1° | 150.3° |
| C26 | C25 | C07 | C06 | 0.9° | 0.5° |
| C25 | C26 | C04 | H6 | 180.0° | 179.7° |
| C25 | C26 | C04 | C05 | 0.4° | 0.3° |
| C25 | C26 | C04 | C22 | 179.6° | 179.7° |
| C07 | C06 | C05 | H12 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.6° | 0.0° |
| C07 | C06 | C05 | H11 | 179.4° | 180.0° |
| C06 | C07 | C08 | H13 | 136.1° | 150.0° |
| C06 | C07 | C08 | H14 | 16.4° | 30.0° |
| C06 | C07 | C25 | H21 | 179.1° | 180.0° |
| C26 | C04 | C05 | C06 | 0.3° | 0.0° |
| C26 | C04 | C05 | C22 | 180.0° | 180.0° |
| C26 | C04 | C22 | C23 | 34.8° | 120.0° |
| C26 | C04 | C22 | C24 | 44.1° | 171.4° |
| C26 | C04 | C22 | H3 | 179.0° | 25.6° |
| C26 | C04 | C05 | H11 | 179.6° | 180.0° |
| C04 | C26 | C25 | H21 | 179.3° | 180.0° |
| C06 | C05 | C04 | H11 | 180.0° | 179.9° |
| C06 | C05 | C04 | C22 | 179.7° | 180.0° |
| C05 | C04 | C22 | C23 | 145.2° | 60.0° |
| C05 | C04 | C22 | C24 | 135.9° | 8.6° |
| C05 | C04 | C22 | H3 | 1.0° | 154.3° |
| C05 | C04 | C26 | H6 | 179.6° | 179.9° |
| C04 | C05 | C06 | H12 | 179.4° | 179.9° |
| C04 | C22 | C23 | C24 | 111.5° | 107.5° |
| C04 | C22 | C23 | H3 | 146.2° | 145.0° |
| C04 | C22 | C24 | H3 | 134.9° | 145.1° |
| C04 | C22 | C24 | H4 | 127.8° | 145.1° |
| C04 | C22 | C24 | H5 | 13.3° | 0.0° |
| C22 | C04 | C26 | H6 | 0.4° | 0.0° |
| C22 | C04 | C05 | H11 | 0.4° | 0.1° |
| C04 | C22 | C23 | H19 | 2.0° | 0.0° |
| C04 | C22 | C23 | H20 | 139.0° | 145.0° |
| C23 | C22 | C24 | H3 | 102.3° | 107.5° |
| C22 | C23 | C24 | H19 | 109.5° | 107.5° |
| C22 | C23 | C24 | H20 | 109.5° | 107.5° |
| C23 | C22 | C24 | H4 | 109.5° | 107.5° |
| C23 | C22 | C24 | H5 | 109.4° | 107.5° |
| C22 | C23 | H19 | H20 | 144.7° | 145.7° |
| C22 | C24 | H4 | H5 | 144.8° | 145.7° |
| C23 | C24 | H4 | H5 | 144.7° | 145.6° |
| C24 | C23 | H19 | H20 | 144.7° | 145.7° |
| H1 | C20 | C21 | H2 | 0.0° | 0.0° |
| H3 | C22 | C24 | H4 | 7.1° | 0.0° |
| H3 | C22 | C24 | H5 | 148.2° | 145.0° |
| H3 | C22 | C23 | H19 | 148.2° | 145.0° |
| H3 | C22 | C23 | H20 | 7.2° | 0.0° |
| H4 | C24 | C23 | H19 | 141.0° | 144.9° |
| H4 | C24 | C23 | H20 | 0.0° | 0.1° |
| H5 | C24 | C23 | H19 | 0.0° | 0.0° |
| H5 | C24 | C23 | H20 | 141.0° | 145.0° |
| H6 | C26 | C25 | H21 | 0.7° | 0.3° |
| H7 | C01 | C02 | H9 | 58.8° | 66.5° |
| H7 | C01 | C02 | H10 | 61.6° | 53.6° |
| H8 | C01 | C02 | H9 | 179.1° | 54.0° |
| H8 | C01 | C02 | H10 | 58.7° | 174.1° |
| H11 | C05 | C06 | H12 | 0.6° | 0.0° |
| H15 | C11 | C12 | H17 | 51.7° | 174.2° |
| H15 | C11 | C12 | H18 | 171.9° | 54.1° |
| H16 | C11 | C12 | H17 | 67.8° | 53.7° |
| H16 | C11 | C12 | H18 | 52.4° | 66.4° |
