H6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | N29 | sing | 1.32Å | 1.36Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| N29 | C24 | doub | 1.33Å | 1.36Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.59Å | |
| C18 | C17 | doub | 1.31Å | 1.37Å | |
| C23 | N30 | doub | 1.33Å | 1.38Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.38Å | Aromatic |
| N30 | C07 | sing | 1.33Å | 1.38Å | Aromatic |
| C17 | S15 | sing | 1.76Å | 1.81Å | |
| N22 | C09 | doub | 1.33Å | 1.39Å | Aromatic |
| O16 | S15 | doub | 1.42Å | 1.45Å | |
| S15 | N14 | sing | 1.66Å | 1.70Å | |
| S15 | O19 | doub | 1.42Å | 1.44Å | |
| C20 | N14 | sing | 1.48Å | 1.51Å | |
| C20 | C21 | sing | 1.54Å | 1.60Å | |
| C07 | N06 | sing | 1.39Å | 1.45Å | |
| C07 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.52Å | |
| N06 | C05 | sing | 1.47Å | 1.51Å | |
| N14 | C13 | sing | 1.45Å | 1.50Å | |
| C21 | N10 | sing | 1.45Å | 1.55Å | |
| N10 | C11 | sing | 1.46Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.56Å | |
| C13 | C12 | sing | 1.55Å | 1.56Å | |
| C04 | C02 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | sing | 1.48Å | 1.55Å | |
| C02 | O01 | doub | 1.21Å | 1.29Å | |
| C02 | O03 | sing | 1.34Å | 1.29Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| N06 | H23 | sing | 0.97Å | 1.00Å | |
| O03 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 117.7° | 119.4° |
| C27 | C28 | N29 | 122.2° | 120.9° |
| C27 | C28 | H9 | 118.9° | 119.6° |
| C28 | C27 | H22 | 121.1° | 120.3° |
| C27 | C26 | C25 | 118.8° | 118.5° |
| C27 | C26 | H8 | 120.6° | 120.7° |
| C26 | C27 | H22 | 121.1° | 120.3° |
| C28 | N29 | C24 | 121.8° | 121.6° |
| N29 | C28 | H9 | 118.9° | 119.6° |
| C26 | C25 | C24 | 120.9° | 119.1° |
| C25 | C26 | H8 | 120.6° | 120.8° |
| C26 | C25 | H21 | 119.6° | 120.5° |
| N29 | C24 | C25 | 118.4° | 120.6° |
| N29 | C24 | C23 | 118.2° | 119.7° |
| C25 | C24 | C23 | 123.3° | 119.8° |
| C24 | C25 | H21 | 119.5° | 120.4° |
| C24 | C23 | N30 | 117.5° | 119.1° |
| C24 | C23 | N22 | 119.2° | 119.2° |
| C18 | C17 | S15 | 125.2° | 120.0° |
| C18 | C17 | H3 | 117.4° | 120.0° |
| C17 | C18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H20 | 120.0° | 120.0° |
| N30 | C23 | N22 | 123.4° | 121.7° |
| C23 | N30 | C07 | 119.6° | 120.8° |
| C23 | N22 | C09 | 118.9° | 120.8° |
| N30 | C07 | N06 | 118.8° | 120.5° |
| N30 | C07 | C08 | 119.9° | 119.1° |
| C17 | S15 | O16 | 109.2° | 106.4° |
| C17 | S15 | N14 | 110.1° | 107.2° |
| C17 | S15 | O19 | 108.6° | 106.4° |
| S15 | C17 | H3 | 117.4° | 120.0° |
| N22 | C09 | C08 | 120.4° | 119.1° |
| N22 | C09 | N10 | 119.7° | 120.5° |
| O16 | S15 | N14 | 111.0° | 106.4° |
| O16 | S15 | O19 | 106.3° | 123.2° |
| N14 | S15 | O19 | 111.5° | 106.4° |
| S15 | N14 | C20 | 126.1° | 118.6° |
| S15 | N14 | C13 | 124.8° | 118.5° |
| N14 | C20 | C21 | 116.7° | 111.6° |
| C20 | N14 | C13 | 108.8° | 122.9° |
| N14 | C20 | H4 | 107.6° | 109.1° |
| N14 | C20 | H5 | 107.7° | 109.0° |
| C20 | C21 | N10 | 117.7° | 109.7° |
| C21 | C20 | H4 | 107.6° | 109.1° |
| C21 | C20 | H5 | 107.6° | 109.1° |
| C20 | C21 | H6 | 107.4° | 109.4° |
| C20 | C21 | H7 | 107.4° | 109.4° |
| N06 | C07 | C08 | 121.3° | 120.4° |
| C07 | N06 | C05 | 124.3° | 120.0° |
| C07 | N06 | H23 | 105.7° | 120.0° |
| C07 | C08 | C09 | 117.8° | 118.4° |
| C07 | C08 | H14 | 121.1° | 120.8° |
| C08 | C09 | N10 | 119.9° | 120.4° |
| C09 | C08 | H14 | 121.1° | 120.8° |
| C09 | N10 | C21 | 118.9° | 111.0° |
| C09 | N10 | C11 | 115.5° | 111.0° |
| N06 | C05 | C04 | 114.7° | 109.5° |
| N06 | C05 | H12 | 108.1° | 109.4° |
| N06 | C05 | H13 | 108.2° | 109.5° |
| C05 | N06 | H23 | 105.7° | 120.0° |
| N14 | C13 | C12 | 114.9° | 109.6° |
| N14 | C13 | H1 | 108.1° | 109.5° |
| N14 | C13 | H2 | 108.1° | 109.5° |
| C21 | N10 | C11 | 112.6° | 110.6° |
| N10 | C21 | H6 | 107.4° | 109.5° |
| N10 | C21 | H7 | 107.4° | 109.4° |
| N10 | C11 | C12 | 114.6° | 114.4° |
| N10 | C11 | H15 | 108.2° | 108.5° |
| N10 | C11 | H16 | 108.2° | 108.4° |
| C05 | C04 | C02 | 113.6° | 109.5° |
| C05 | C04 | H10 | 108.4° | 109.5° |
| C05 | C04 | H11 | 108.4° | 109.5° |
| C04 | C05 | H12 | 108.2° | 109.5° |
| C04 | C05 | H13 | 108.1° | 109.5° |
| C13 | C12 | C11 | 115.4° | 109.7° |
| C12 | C13 | H1 | 108.1° | 109.4° |
| C12 | C13 | H2 | 108.1° | 109.5° |
| C13 | C12 | H17 | 108.0° | 109.4° |
| C13 | C12 | H18 | 108.0° | 109.4° |
| C04 | C02 | O01 | 119.1° | 120.0° |
| C04 | C02 | O03 | 121.9° | 120.0° |
| C02 | C04 | H10 | 108.4° | 109.5° |
| C02 | C04 | H11 | 108.4° | 109.5° |
| C12 | C11 | H15 | 108.2° | 108.5° |
| C12 | C11 | H16 | 108.2° | 108.5° |
| C11 | C12 | H17 | 108.0° | 109.4° |
| C11 | C12 | H18 | 108.0° | 109.4° |
| O01 | C02 | O03 | 119.1° | 120.0° |
| C02 | O03 | H24 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.4° | 109.4° |
| H4 | C20 | H5 | 109.5° | 109.0° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H10 | C04 | H11 | 109.5° | 109.4° |
| H12 | C05 | H13 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 108.4° |
| H17 | C12 | H18 | 109.4° | 109.4° |
| H19 | C18 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H22 | 180.0° | 179.7° |
| C27 | C28 | N29 | H9 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.0° | 0.3° |
| C27 | C28 | N29 | C24 | 0.1° | 0.1° |
| C28 | C27 | C26 | H8 | 180.0° | 179.7° |
| C26 | C27 | C28 | N29 | 0.1° | 0.4° |
| C27 | C26 | C25 | H8 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.1° | 0.1° |
| C26 | C27 | C28 | H9 | 179.9° | 179.8° |
| C27 | C26 | C25 | H21 | 179.9° | 179.9° |
| C28 | N29 | C24 | C25 | 0.2° | 0.2° |
| C28 | N29 | C24 | C23 | 180.0° | 180.0° |
| N29 | C28 | C27 | H22 | 180.0° | 180.0° |
| C26 | C25 | C24 | N29 | 0.2° | 0.2° |
| C26 | C25 | C24 | H21 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 180.0° | 180.0° |
| C25 | C26 | C27 | H22 | 180.0° | 180.0° |
| N29 | C24 | C25 | C23 | 179.8° | 179.8° |
| N29 | C24 | C23 | N30 | 20.3° | 179.8° |
| N29 | C24 | C23 | N22 | 159.2° | 0.3° |
| C24 | N29 | C28 | H9 | 179.9° | 180.0° |
| N29 | C24 | C25 | H21 | 179.8° | 179.8° |
| C25 | C24 | C23 | N30 | 159.4° | 0.0° |
| C25 | C24 | C23 | N22 | 21.0° | 179.5° |
| C24 | C25 | C26 | H8 | 179.9° | 180.0° |
| C24 | C23 | N30 | N22 | 179.5° | 179.4° |
| C24 | C23 | N30 | C07 | 179.8° | 180.0° |
| C24 | C23 | N22 | C09 | 179.8° | 179.7° |
| C23 | C24 | C25 | H21 | 0.0° | 0.0° |
| C18 | C17 | S15 | H3 | 180.0° | 179.9° |
| C18 | C17 | S15 | O16 | 12.8° | 131.4° |
| C18 | C17 | S15 | N14 | 135.0° | 115.0° |
| C18 | C17 | S15 | O19 | 102.7° | 1.5° |
| C17 | C18 | H19 | H20 | 180.0° | 179.9° |
| N30 | C23 | N22 | C09 | 0.7° | 0.3° |
| C23 | N30 | C07 | N06 | 179.9° | 179.8° |
| C23 | N30 | C07 | C08 | 0.0° | 0.5° |
| N22 | C23 | N30 | C07 | 0.3° | 0.5° |
| C23 | N22 | C09 | C08 | 0.8° | 0.0° |
| C23 | N22 | C09 | N10 | 179.8° | 180.0° |
| N30 | C07 | N06 | C08 | 179.8° | 179.7° |
| N30 | C07 | C08 | C09 | 0.1° | 0.2° |
| N30 | C07 | N06 | C05 | 176.9° | 179.7° |
| N30 | C07 | C08 | H14 | 179.9° | 179.7° |
| N30 | C07 | N06 | H23 | 61.1° | 0.2° |
| C17 | S15 | O16 | N14 | 121.6° | 114.0° |
| C17 | S15 | O16 | O19 | 117.0° | 123.0° |
| C17 | S15 | N14 | O19 | 120.6° | 113.5° |
| C17 | S15 | N14 | C20 | 51.7° | 90.0° |
| C17 | S15 | N14 | C13 | 121.4° | 90.0° |
| S15 | C17 | C18 | H19 | 180.0° | 180.0° |
| S15 | C17 | C18 | H20 | 0.0° | 0.1° |
| N22 | C09 | C08 | C07 | 0.5° | 0.0° |
| N22 | C09 | C08 | N10 | 179.0° | 179.9° |
| N22 | C09 | N10 | C21 | 17.2° | 0.0° |
| N22 | C09 | N10 | C11 | 155.7° | 123.5° |
| N22 | C09 | C08 | H14 | 179.5° | 179.9° |
| O16 | S15 | N14 | O19 | 118.3° | 133.0° |
| O16 | S15 | N14 | C20 | 69.4° | 23.5° |
| O16 | S15 | N14 | C13 | 117.6° | 156.5° |
| O16 | S15 | C17 | H3 | 167.1° | 48.5° |
| S15 | N14 | C20 | C13 | 174.0° | 179.9° |
| S15 | N14 | C20 | C21 | 139.1° | 138.1° |
| S15 | N14 | C13 | C12 | 82.6° | 90.9° |
| S15 | N14 | C13 | H1 | 156.6° | 149.1° |
| S15 | N14 | C13 | H2 | 38.2° | 29.1° |
| N14 | S15 | C17 | H3 | 45.0° | 65.0° |
| S15 | N14 | C20 | H4 | 18.1° | 17.5° |
| S15 | N14 | C20 | H5 | 99.8° | 101.4° |
| O19 | S15 | N14 | C20 | 172.3° | 156.5° |
| O19 | S15 | N14 | C13 | 0.7° | 23.5° |
| O19 | S15 | C17 | H3 | 77.3° | 178.5° |
| N14 | C20 | C21 | H4 | 121.0° | 120.6° |
| N14 | C20 | C21 | H5 | 121.1° | 120.5° |
| N14 | C20 | C21 | N10 | 43.7° | 40.0° |
| C20 | N14 | C13 | C12 | 91.4° | 89.0° |
| C20 | N14 | C13 | H1 | 29.4° | 31.0° |
| C20 | N14 | C13 | H2 | 147.7° | 150.9° |
| N14 | C20 | H4 | H5 | 116.7° | 118.9° |
| N14 | C20 | C21 | H6 | 164.9° | 80.1° |
| N14 | C20 | C21 | H7 | 77.4° | 160.0° |
| C20 | C21 | N10 | C09 | 52.9° | 142.1° |
| C21 | C20 | N14 | C13 | 34.8° | 41.8° |
| C20 | C21 | N10 | H6 | 121.2° | 120.1° |
| C20 | C21 | N10 | H7 | 121.2° | 120.0° |
| C20 | C21 | N10 | C11 | 86.7° | 94.2° |
| C21 | C20 | H4 | H5 | 116.7° | 119.0° |
| C20 | C21 | H6 | H7 | 116.3° | 119.9° |
| N06 | C07 | C08 | C09 | 179.7° | 180.0° |
| C07 | N06 | C05 | H23 | 122.0° | 179.9° |
| C07 | N06 | C05 | C04 | 80.8° | 180.0° |
| C07 | N06 | C05 | H12 | 39.9° | 60.0° |
| C07 | N06 | C05 | H13 | 158.5° | 60.0° |
| N06 | C07 | C08 | H14 | 0.3° | 0.1° |
| C07 | C08 | C09 | H14 | 180.0° | 179.9° |
| C07 | C08 | C09 | N10 | 179.5° | 180.0° |
| C08 | C07 | N06 | C05 | 3.3° | 0.0° |
| C08 | C07 | N06 | H23 | 118.8° | 180.0° |
| C08 | C09 | N10 | C21 | 163.8° | 180.0° |
| C08 | C09 | N10 | C11 | 25.3° | 56.6° |
| C09 | N10 | C21 | C11 | 139.6° | 123.7° |
| C09 | N10 | C11 | C12 | 76.9° | 148.6° |
| C09 | N10 | C21 | H6 | 68.3° | 97.8° |
| C09 | N10 | C21 | H7 | 174.0° | 22.1° |
| N10 | C09 | C08 | H14 | 0.4° | 0.1° |
| C09 | N10 | C11 | H15 | 43.9° | 27.3° |
| C09 | N10 | C11 | H16 | 162.4° | 90.2° |
| N06 | C05 | C04 | H12 | 120.7° | 120.0° |
| N06 | C05 | C04 | H13 | 120.8° | 120.0° |
| N06 | C05 | C04 | C02 | 161.5° | 180.0° |
| N06 | C05 | C04 | H10 | 77.9° | 59.9° |
| N06 | C05 | C04 | H11 | 40.8° | 60.0° |
| N06 | C05 | H12 | H13 | 117.7° | 120.0° |
| N14 | C13 | C12 | H1 | 120.8° | 120.0° |
| N14 | C13 | C12 | H2 | 120.8° | 120.0° |
| N14 | C13 | C12 | C11 | 80.2° | 69.5° |
| N14 | C13 | H1 | H2 | 117.5° | 120.0° |
| C13 | N14 | C20 | H4 | 155.9° | 162.4° |
| C13 | N14 | C20 | H5 | 86.2° | 78.7° |
| N14 | C13 | C12 | H17 | 159.0° | 50.6° |
| N14 | C13 | C12 | H18 | 40.7° | 170.4° |
| C21 | N10 | C11 | C12 | 64.2° | 87.7° |
| N10 | C21 | C20 | H4 | 77.3° | 80.5° |
| N10 | C21 | C20 | H5 | 164.8° | 160.5° |
| N10 | C21 | H6 | H7 | 116.3° | 119.9° |
| C21 | N10 | C11 | H15 | 175.0° | 151.0° |
| C21 | N10 | C11 | H16 | 56.5° | 33.5° |
| N10 | C11 | C12 | C13 | 50.9° | 62.2° |
| N10 | C11 | C12 | H15 | 120.8° | 121.3° |
| N10 | C11 | C12 | H16 | 120.7° | 121.1° |
| C11 | N10 | C21 | H6 | 152.1° | 25.9° |
| C11 | N10 | C21 | H7 | 34.4° | 145.8° |
| N10 | C11 | H15 | H16 | 117.6° | 117.5° |
| N10 | C11 | C12 | H17 | 171.7° | 57.9° |
| N10 | C11 | C12 | H18 | 70.0° | 177.7° |
| C05 | C04 | C02 | H10 | 120.6° | 120.0° |
| C05 | C04 | C02 | H11 | 120.6° | 120.0° |
| C05 | C04 | C02 | O01 | 44.4° | 0.0° |
| C05 | C04 | C02 | O03 | 135.3° | 180.0° |
| C05 | C04 | H10 | H11 | 118.1° | 120.0° |
| C04 | C05 | H12 | H13 | 117.6° | 120.0° |
| C04 | C05 | N06 | H23 | 157.2° | 0.0° |
| C13 | C12 | C11 | H17 | 120.9° | 120.1° |
| C13 | C12 | C11 | H18 | 120.9° | 120.1° |
| C12 | C13 | H1 | H2 | 117.5° | 120.0° |
| C13 | C12 | C11 | H15 | 171.6° | 176.5° |
| C13 | C12 | C11 | H16 | 69.9° | 58.9° |
| C13 | C12 | H17 | H18 | 117.3° | 119.9° |
| C04 | C02 | O01 | O03 | 179.7° | 180.0° |
| C02 | C04 | H10 | H11 | 118.1° | 120.0° |
| C02 | C04 | C05 | H12 | 40.7° | 60.0° |
| C02 | C04 | C05 | H13 | 77.8° | 60.0° |
| C04 | C02 | O03 | H24 | 179.7° | 180.0° |
| C11 | C12 | C13 | H1 | 40.7° | 50.5° |
| C11 | C12 | C13 | H2 | 159.0° | 170.5° |
| C12 | C11 | H15 | H16 | 117.6° | 117.7° |
| C11 | C12 | H17 | H18 | 117.3° | 119.8° |
| O01 | C02 | C04 | H10 | 165.0° | 120.1° |
| O01 | C02 | C04 | H11 | 76.2° | 120.0° |
| O01 | C02 | O03 | H24 | 0.0° | 0.0° |
| O03 | C02 | C04 | H10 | 14.7° | 60.0° |
| O03 | C02 | C04 | H11 | 104.1° | 60.0° |
| H1 | C13 | C12 | H17 | 80.2° | 170.6° |
| H1 | C13 | C12 | H18 | 161.5° | 69.5° |
| H2 | C13 | C12 | H17 | 38.1° | 69.4° |
| H2 | C13 | C12 | H18 | 80.1° | 50.4° |
| H3 | C17 | C18 | H19 | 0.0° | 0.1° |
| H3 | C17 | C18 | H20 | 180.0° | 180.0° |
| H4 | C20 | C21 | H6 | 43.9° | 159.4° |
| H4 | C20 | C21 | H7 | 161.6° | 39.5° |
| H5 | C20 | C21 | H6 | 74.0° | 40.4° |
| H5 | C20 | C21 | H7 | 43.7° | 79.5° |
| H8 | C26 | C25 | H21 | 0.2° | 0.0° |
| H8 | C26 | C27 | H22 | 0.0° | 0.1° |
| H9 | C28 | C27 | H22 | 0.0° | 0.1° |
| H10 | C04 | C05 | H12 | 161.3° | 179.9° |
| H10 | C04 | C05 | H13 | 42.8° | 60.1° |
| H11 | C04 | C05 | H12 | 79.9° | 60.0° |
| H11 | C04 | C05 | H13 | 161.6° | 180.0° |
| H12 | C05 | N06 | H23 | 82.1° | 120.0° |
| H13 | C05 | N06 | H23 | 36.4° | 120.0° |
| H15 | C11 | C12 | H17 | 67.5° | 63.4° |
| H15 | C11 | C12 | H18 | 50.8° | 56.4° |
| H16 | C11 | C12 | H17 | 51.0° | 179.0° |
| H16 | C11 | C12 | H18 | 169.3° | 61.2° |
