J08
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C02 | doub | 1.31Å | 1.30Å | |
| C02 | N01 | sing | 1.38Å | 1.35Å | |
| C02 | C04 | sing | 1.48Å | 1.47Å | |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.37Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | N08 | sing | 1.39Å | 1.38Å | |
| O23 | C24 | sing | 1.43Å | 1.43Å | |
| C30 | N29 | doub | 1.32Å | 1.34Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| N08 | C09 | sing | 1.46Å | 1.45Å | |
| N29 | C28 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| N14 | C10 | doub | 1.31Å | 1.33Å | Aromatic |
| N14 | C13 | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | N11 | sing | 1.35Å | 1.35Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C15 | sing | 1.48Å | 1.48Å | |
| C15 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| N01 | H9 | sing | 0.97Å | 1.00Å | |
| N01 | H10 | sing | 0.97Å | 1.00Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| N08 | H14 | sing | 0.97Å | 1.00Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| N11 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C02 | N01 | 118.3° | 120.0° |
| N03 | C02 | C04 | 120.0° | 120.0° |
| C02 | N03 | H11 | 112.0° | 120.0° |
| N01 | C02 | C04 | 121.7° | 120.0° |
| C02 | N01 | H9 | 120.0° | 120.0° |
| C02 | N01 | H10 | 120.0° | 120.0° |
| C02 | C04 | C05 | 116.4° | 120.1° |
| C02 | C04 | C22 | 125.5° | 120.1° |
| C04 | C05 | C06 | 121.4° | 120.0° |
| C05 | C04 | C22 | 118.0° | 119.8° |
| C04 | C05 | H12 | 119.3° | 120.0° |
| C05 | C06 | C07 | 120.4° | 120.2° |
| C06 | C05 | H12 | 119.3° | 120.0° |
| C05 | C06 | H13 | 119.8° | 119.9° |
| C04 | C22 | O23 | 115.5° | 120.1° |
| C04 | C22 | C21 | 120.7° | 119.8° |
| C06 | C07 | C21 | 119.5° | 120.2° |
| C06 | C07 | N08 | 118.9° | 119.9° |
| C07 | C06 | H13 | 119.8° | 120.0° |
| O23 | C22 | C21 | 123.9° | 120.1° |
| C22 | O23 | C24 | 121.0° | 117.1° |
| C22 | C21 | C07 | 120.0° | 120.0° |
| C22 | C21 | H4 | 120.0° | 120.0° |
| C21 | C07 | N08 | 121.5° | 119.9° |
| C07 | C21 | H4 | 120.0° | 120.0° |
| C07 | N08 | C09 | 123.4° | 120.0° |
| C07 | N08 | H14 | 105.9° | 120.0° |
| O23 | C24 | C25 | 111.8° | 109.5° |
| O23 | C24 | H5 | 108.9° | 109.4° |
| O23 | C24 | H6 | 108.9° | 109.4° |
| N29 | C30 | C25 | 124.1° | 120.8° |
| C30 | N29 | C28 | 117.2° | 121.7° |
| N29 | C30 | H23 | 118.0° | 119.6° |
| C30 | C25 | C24 | 121.6° | 120.4° |
| C30 | C25 | C26 | 117.2° | 119.1° |
| C25 | C30 | H23 | 118.0° | 119.6° |
| N08 | C09 | C10 | 111.7° | 109.5° |
| C09 | N08 | H14 | 105.8° | 120.0° |
| N08 | C09 | H15 | 108.9° | 109.5° |
| N08 | C09 | H16 | 108.9° | 109.5° |
| N29 | C28 | C27 | 123.2° | 120.8° |
| N29 | C28 | H8 | 118.4° | 119.6° |
| C24 | C25 | C26 | 121.3° | 120.4° |
| C25 | C24 | H5 | 108.9° | 109.5° |
| C25 | C24 | H6 | 108.9° | 109.5° |
| C25 | C26 | C27 | 119.9° | 118.4° |
| C25 | C26 | H7 | 120.1° | 120.8° |
| C28 | C27 | C26 | 118.4° | 119.1° |
| C27 | C28 | H8 | 118.4° | 119.6° |
| C28 | C27 | H22 | 120.8° | 120.4° |
| C09 | C10 | N14 | 123.8° | 125.5° |
| C09 | C10 | N11 | 123.5° | 125.5° |
| C10 | C09 | H15 | 108.9° | 109.5° |
| C10 | C09 | H16 | 108.9° | 109.5° |
| C27 | C26 | H7 | 120.0° | 120.8° |
| C26 | C27 | H22 | 120.8° | 120.4° |
| C10 | N14 | C13 | 105.2° | 109.5° |
| N14 | C10 | N11 | 112.5° | 109.0° |
| N14 | C13 | C12 | 109.0° | 107.9° |
| N14 | C13 | H1 | 125.5° | 126.0° |
| C10 | N11 | C12 | 106.0° | 107.1° |
| C10 | N11 | H17 | 127.0° | 126.4° |
| C13 | C12 | N11 | 107.2° | 106.4° |
| C13 | C12 | C15 | 129.3° | 126.8° |
| C12 | C13 | H1 | 125.5° | 126.0° |
| N11 | C12 | C15 | 123.4° | 126.8° |
| C12 | N11 | H17 | 127.0° | 126.4° |
| C12 | C15 | C20 | 120.5° | 120.2° |
| C12 | C15 | C16 | 120.8° | 120.2° |
| C20 | C15 | C16 | 118.7° | 119.7° |
| C15 | C20 | C19 | 120.4° | 119.9° |
| C15 | C20 | H3 | 119.8° | 120.0° |
| C15 | C16 | C17 | 120.5° | 119.9° |
| C15 | C16 | H19 | 119.7° | 120.1° |
| C20 | C19 | C18 | 120.3° | 120.2° |
| C19 | C20 | H3 | 119.8° | 120.1° |
| C20 | C19 | H21 | 119.8° | 119.9° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C16 | C17 | H2 | 119.9° | 120.0° |
| C17 | C16 | H19 | 119.7° | 120.0° |
| C19 | C18 | C17 | 119.8° | 120.3° |
| C19 | C18 | H20 | 120.1° | 119.9° |
| C18 | C19 | H21 | 119.9° | 119.9° |
| C18 | C17 | H2 | 119.9° | 119.9° |
| C17 | C18 | H20 | 120.1° | 119.8° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H9 | N01 | H10 | 120.0° | 120.0° |
| H15 | C09 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C02 | N01 | C04 | 176.9° | 179.9° |
| N03 | C02 | C04 | C05 | 21.7° | 174.0° |
| N03 | C02 | C04 | C22 | 160.3° | 5.9° |
| N03 | C02 | N01 | H9 | 176.9° | 180.0° |
| N03 | C02 | N01 | H10 | 3.1° | 0.0° |
| N01 | C02 | C04 | C05 | 155.1° | 6.0° |
| N01 | C02 | C04 | C22 | 22.9° | 174.0° |
| C02 | N01 | H9 | H10 | 180.0° | 180.0° |
| N01 | C02 | N03 | H11 | 176.9° | 174.9° |
| C02 | C04 | C05 | C22 | 178.1° | 180.0° |
| C02 | C04 | C05 | C06 | 177.8° | 180.0° |
| C02 | C04 | C22 | O23 | 1.6° | 0.0° |
| C02 | C04 | C22 | C21 | 179.2° | 180.0° |
| C04 | C02 | N01 | H9 | 0.0° | 0.1° |
| C04 | C02 | N01 | H10 | 180.0° | 180.0° |
| C04 | C02 | N03 | H11 | 0.0° | 5.0° |
| C02 | C04 | C05 | H12 | 2.1° | 0.0° |
| C04 | C05 | C06 | H12 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.3° |
| C05 | C04 | C22 | O23 | 179.5° | 180.0° |
| C05 | C04 | C22 | C21 | 1.3° | 0.0° |
| C04 | C05 | C06 | H13 | 180.0° | 180.0° |
| C06 | C05 | C04 | C22 | 0.3° | 0.0° |
| C05 | C06 | C07 | H13 | 180.0° | 179.7° |
| C05 | C06 | C07 | C21 | 1.9° | 0.6° |
| C05 | C06 | C07 | N08 | 178.4° | 180.0° |
| C04 | C22 | O23 | C21 | 179.2° | 179.9° |
| C04 | C22 | C21 | C07 | 3.1° | 0.3° |
| C04 | C22 | O23 | C24 | 171.2° | 180.0° |
| C04 | C22 | C21 | H4 | 176.9° | 180.0° |
| C22 | C04 | C05 | H12 | 179.8° | 180.0° |
| C06 | C07 | C21 | C22 | 3.4° | 0.6° |
| C06 | C07 | C21 | N08 | 179.7° | 179.4° |
| C06 | C07 | N08 | C09 | 175.9° | 0.0° |
| C06 | C07 | C21 | H4 | 176.6° | 179.8° |
| C07 | C06 | C05 | H12 | 179.9° | 179.8° |
| C06 | C07 | N08 | H14 | 54.0° | 180.0° |
| O23 | C22 | C21 | C07 | 177.7° | 179.8° |
| C22 | O23 | C24 | C25 | 78.6° | 180.0° |
| O23 | C22 | C21 | H4 | 2.3° | 0.1° |
| C22 | O23 | C24 | H5 | 41.7° | 60.0° |
| C22 | O23 | C24 | H6 | 161.0° | 60.0° |
| C22 | C21 | C07 | H4 | 180.0° | 179.6° |
| C22 | C21 | C07 | N08 | 176.9° | 180.0° |
| C21 | C22 | O23 | C24 | 8.0° | 0.0° |
| C21 | C07 | N08 | C09 | 4.5° | 179.5° |
| C21 | C07 | C06 | H13 | 178.1° | 179.7° |
| C21 | C07 | N08 | H14 | 126.3° | 0.6° |
| C07 | N08 | C09 | H14 | 121.9° | 180.0° |
| C07 | N08 | C09 | C10 | 95.3° | 180.0° |
| N08 | C07 | C21 | H4 | 3.1° | 0.4° |
| N08 | C07 | C06 | H13 | 1.6° | 0.3° |
| C07 | N08 | C09 | H15 | 25.0° | 60.0° |
| C07 | N08 | C09 | H16 | 144.3° | 60.0° |
| O23 | C24 | C25 | C30 | 32.4° | 90.0° |
| O23 | C24 | C25 | H5 | 120.3° | 120.0° |
| O23 | C24 | C25 | H6 | 120.3° | 120.0° |
| O23 | C24 | C25 | C26 | 147.3° | 90.0° |
| O23 | C24 | H5 | H6 | 118.9° | 119.9° |
| N29 | C30 | C25 | H23 | 180.0° | 179.7° |
| N29 | C30 | C25 | C24 | 179.6° | 180.0° |
| N29 | C30 | C25 | C26 | 0.1° | 0.0° |
| C30 | N29 | C28 | C27 | 2.9° | 0.6° |
| C30 | N29 | C28 | H8 | 177.1° | 180.0° |
| C25 | C30 | N29 | C28 | 2.4° | 0.3° |
| C30 | C25 | C24 | C26 | 179.7° | 180.0° |
| C30 | C25 | C26 | C27 | 1.9° | 0.1° |
| C30 | C25 | C24 | H5 | 152.7° | 150.0° |
| C30 | C25 | C24 | H6 | 88.0° | 30.0° |
| C30 | C25 | C26 | H7 | 178.1° | 179.8° |
| N08 | C09 | C10 | H15 | 120.3° | 120.0° |
| N08 | C09 | C10 | H16 | 120.3° | 120.0° |
| N08 | C09 | C10 | N14 | 6.0° | 85.3° |
| N08 | C09 | C10 | N11 | 168.4° | 95.0° |
| N08 | C09 | H15 | H16 | 119.0° | 120.0° |
| N29 | C28 | C27 | H8 | 180.0° | 179.4° |
| N29 | C28 | C27 | C26 | 1.0° | 0.5° |
| N29 | C28 | C27 | H22 | 179.0° | 179.4° |
| C28 | N29 | C30 | H23 | 177.6° | 180.0° |
| C24 | C25 | C26 | C27 | 178.4° | 180.0° |
| C25 | C24 | H5 | H6 | 119.0° | 120.0° |
| C24 | C25 | C26 | H7 | 1.6° | 0.2° |
| C24 | C25 | C30 | H23 | 0.4° | 0.3° |
| C25 | C26 | C27 | C28 | 1.4° | 0.2° |
| C25 | C26 | C27 | H7 | 180.0° | 179.8° |
| C26 | C25 | C24 | H5 | 27.0° | 30.0° |
| C26 | C25 | C24 | H6 | 92.4° | 150.0° |
| C25 | C26 | C27 | H22 | 178.5° | 179.7° |
| C26 | C25 | C30 | H23 | 179.9° | 179.7° |
| C28 | C27 | C26 | H22 | 180.0° | 179.9° |
| C28 | C27 | C26 | H7 | 178.6° | 180.0° |
| C09 | C10 | N14 | N11 | 174.9° | 179.8° |
| C09 | C10 | N14 | C13 | 176.2° | 179.9° |
| C09 | C10 | N11 | C12 | 177.6° | 180.0° |
| C10 | C09 | N08 | H14 | 142.8° | 0.0° |
| C10 | C09 | H15 | H16 | 119.0° | 120.0° |
| C09 | C10 | N11 | H17 | 2.4° | 0.1° |
| C26 | C27 | C28 | H8 | 179.0° | 180.0° |
| C10 | N14 | C13 | C12 | 0.6° | 0.3° |
| N14 | C10 | N11 | C12 | 2.7° | 0.2° |
| C10 | N14 | C13 | H1 | 179.4° | 179.9° |
| N14 | C10 | C09 | H15 | 114.3° | 34.7° |
| N14 | C10 | C09 | H16 | 126.3° | 154.7° |
| N14 | C10 | N11 | H17 | 177.3° | 179.8° |
| C13 | N14 | C10 | N11 | 1.3° | 0.3° |
| N14 | C13 | C12 | H1 | 180.0° | 179.8° |
| N14 | C13 | C12 | N11 | 2.2° | 0.2° |
| N14 | C13 | C12 | C15 | 177.5° | 180.0° |
| C10 | N11 | C12 | C13 | 2.9° | 0.0° |
| C10 | N11 | C12 | H17 | 180.0° | 179.9° |
| C10 | N11 | C12 | C15 | 178.6° | 179.8° |
| N11 | C10 | C09 | H15 | 71.3° | 145.0° |
| N11 | C10 | C09 | H16 | 48.0° | 25.0° |
| C13 | C12 | N11 | C15 | 175.6° | 179.8° |
| C13 | C12 | C15 | C20 | 4.0° | 0.0° |
| C13 | C12 | C15 | C16 | 173.2° | 179.8° |
| C13 | C12 | N11 | H17 | 177.1° | 180.0° |
| N11 | C12 | C15 | C20 | 178.6° | 179.8° |
| N11 | C12 | C15 | C16 | 1.4° | 0.4° |
| N11 | C12 | C13 | H1 | 177.7° | 180.0° |
| C12 | C15 | C20 | C16 | 177.2° | 179.8° |
| C12 | C15 | C20 | C19 | 177.8° | 179.7° |
| C12 | C15 | C16 | C17 | 177.4° | 179.7° |
| C15 | C12 | C13 | H1 | 2.4° | 0.2° |
| C12 | C15 | C20 | H3 | 2.2° | 0.2° |
| C15 | C12 | N11 | H17 | 1.4° | 0.1° |
| C12 | C15 | C16 | H19 | 2.6° | 0.3° |
| C15 | C20 | C19 | H3 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C20 | C19 | C18 | 1.0° | 0.0° |
| C20 | C15 | C16 | H19 | 179.9° | 180.0° |
| C15 | C20 | C19 | H21 | 179.0° | 180.0° |
| C16 | C15 | C20 | C19 | 0.6° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.0° | 0.0° |
| C15 | C16 | C17 | H2 | 178.0° | 180.0° |
| C16 | C15 | C20 | H3 | 179.4° | 180.0° |
| C20 | C19 | C18 | H21 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 3.1° | 0.0° |
| C20 | C19 | C18 | H20 | 176.8° | 180.0° |
| C16 | C17 | C18 | C19 | 3.6° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 180.0° |
| C16 | C17 | C18 | H20 | 176.3° | 179.9° |
| C19 | C18 | C17 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | H2 | 176.4° | 180.0° |
| C18 | C19 | C20 | H3 | 179.0° | 180.0° |
| C18 | C17 | C16 | H19 | 178.0° | 180.0° |
| C17 | C18 | C19 | H21 | 176.9° | 180.0° |
| H2 | C17 | C16 | H19 | 2.0° | 0.0° |
| H2 | C17 | C18 | H20 | 3.7° | 0.0° |
| H3 | C20 | C19 | H21 | 1.0° | 0.0° |
| H7 | C26 | C27 | H22 | 1.4° | 0.1° |
| H8 | C28 | C27 | H22 | 1.0° | 0.1° |
| H12 | C05 | C06 | H13 | 0.1° | 0.0° |
| H14 | N08 | C09 | H15 | 96.9° | 120.0° |
| H14 | N08 | C09 | H16 | 22.4° | 120.0° |
| H20 | C18 | C19 | H21 | 3.2° | 0.1° |
