H7J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.48Å | 1.48Å | |
| C18 | N17 | sing | 1.35Å | 1.34Å | |
| C19 | C24 | doub | 1.40Å | 1.27Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.28Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.34Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.38Å | 1.27Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.38Å | 1.27Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.38Å | 1.28Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N17 | C14 | sing | 1.46Å | 1.46Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.51Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C15 | C27 | sing | 1.53Å | 1.54Å | |
| C15 | C26 | sing | 1.53Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C12 | N11 | sing | 1.34Å | 1.33Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.48Å | Aromatic |
| N11 | N10 | doub | 1.29Å | 1.40Å | Aromatic |
| N10 | N | sing | 1.29Å | 1.40Å | Aromatic |
| C13 | N | sing | 1.35Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N | C4 | sing | 1.46Å | 1.36Å | |
| C4 | C2 | sing | 1.51Å | 1.34Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | C | sing | 1.51Å | 1.49Å | |
| C2 | O | doub | 1.21Å | 1.23Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.31Å | 1.33Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C18 | C19 | 118.7° | 120.0° |
| O25 | C18 | N17 | 121.1° | 120.0° |
| C19 | C18 | N17 | 117.1° | 120.0° |
| C18 | C19 | C24 | 119.7° | 120.1° |
| C18 | C19 | C20 | 121.6° | 120.2° |
| C18 | N17 | C14 | 125.6° | 120.0° |
| C18 | N17 | HN17 | 117.2° | 120.0° |
| C24 | C19 | C20 | 118.6° | 119.7° |
| C19 | C24 | C23 | 119.9° | 119.8° |
| C19 | C24 | H24 | 120.0° | 120.1° |
| C19 | C20 | C21 | 121.2° | 119.9° |
| C19 | C20 | H20 | 119.4° | 120.1° |
| C23 | C24 | H24 | 120.1° | 120.1° |
| C24 | C23 | C22 | 119.6° | 120.2° |
| C24 | C23 | H23 | 120.2° | 119.9° |
| C22 | C23 | H23 | 120.2° | 119.9° |
| C23 | C22 | C21 | 119.1° | 120.3° |
| C23 | C22 | H22 | 120.5° | 119.8° |
| C21 | C22 | H22 | 120.5° | 119.9° |
| C22 | C21 | C20 | 121.5° | 120.1° |
| C22 | C21 | H21 | 119.3° | 119.9° |
| C20 | C21 | H21 | 119.3° | 119.9° |
| C21 | C20 | H20 | 119.4° | 120.1° |
| C14 | N17 | HN17 | 117.2° | 120.0° |
| N17 | C14 | C16 | 111.7° | 109.4° |
| N17 | C14 | C15 | 109.1° | 109.5° |
| N17 | C14 | C12 | 104.9° | 109.5° |
| C16 | C14 | C15 | 110.3° | 109.5° |
| C16 | C14 | C12 | 112.4° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.5° |
| C14 | C16 | H162 | 109.4° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.4° |
| C15 | C14 | C12 | 108.3° | 109.5° |
| C14 | C15 | C27 | 112.4° | 109.5° |
| C14 | C15 | C26 | 114.6° | 109.5° |
| C14 | C15 | H15 | 103.9° | 109.5° |
| C14 | C12 | N11 | 116.0° | 126.7° |
| C14 | C12 | C13 | 124.0° | 126.8° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| C27 | C15 | C26 | 110.3° | 109.4° |
| C27 | C15 | H15 | 108.8° | 109.5° |
| C15 | C27 | H271 | 109.4° | 109.5° |
| C15 | C27 | H272 | 109.5° | 109.5° |
| C15 | C27 | H273 | 109.5° | 109.5° |
| C26 | C15 | H15 | 106.3° | 109.5° |
| C15 | C26 | H261 | 109.5° | 109.5° |
| C15 | C26 | H262 | 109.4° | 109.5° |
| C15 | C26 | H263 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| N11 | C12 | C13 | 120.0° | 106.5° |
| C12 | N11 | N10 | 103.7° | 108.9° |
| C12 | C13 | N | 93.6° | 106.2° |
| C12 | C13 | H13 | 133.2° | 126.9° |
| N11 | N10 | N | 107.4° | 110.2° |
| N10 | N | C13 | 115.2° | 108.3° |
| N10 | N | C4 | 119.6° | 125.9° |
| N | C13 | H13 | 133.2° | 126.9° |
| C13 | N | C4 | 125.1° | 125.8° |
| N | C4 | C2 | 118.6° | 109.5° |
| N | C4 | C5 | 120.8° | 109.5° |
| N | C4 | H4 | 95.5° | 109.5° |
| C2 | C4 | C5 | 120.3° | 109.4° |
| C2 | C4 | H4 | 100.6° | 109.4° |
| C4 | C2 | C | 117.8° | 120.0° |
| C4 | C2 | O | 122.4° | 120.0° |
| C5 | C4 | H4 | 79.1° | 109.5° |
| C4 | C5 | C7 | 115.5° | 109.5° |
| C4 | C5 | H51 | 106.1° | 109.4° |
| C4 | C5 | H52 | 107.5° | 109.4° |
| C | C2 | O | 119.6° | 120.0° |
| C2 | C | H1 | 109.5° | 109.5° |
| C2 | C | H2 | 109.5° | 109.5° |
| C2 | C | H3 | 109.5° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.4° |
| C7 | C5 | H51 | 106.1° | 109.5° |
| C7 | C5 | H52 | 107.5° | 109.5° |
| C5 | C7 | C8 | 116.6° | 120.0° |
| C5 | C7 | H7 | 121.7° | 120.0° |
| H51 | C5 | H52 | 114.3° | 109.5° |
| C8 | C7 | H7 | 121.7° | 120.0° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C8 | C9 | H91 | 109.5° | 109.4° |
| C8 | C9 | H92 | 109.5° | 109.5° |
| C8 | C9 | H93 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C18 | C19 | N17 | 160.6° | 180.0° |
| O25 | C18 | C19 | C24 | 15.6° | 0.1° |
| O25 | C18 | C19 | C20 | 164.5° | 179.7° |
| O25 | C18 | N17 | C14 | 2.4° | 0.0° |
| O25 | C18 | N17 | HN17 | 177.6° | 180.0° |
| C18 | C19 | C24 | C20 | 179.9° | 179.6° |
| C18 | C19 | C24 | C23 | 179.9° | 180.0° |
| C18 | C19 | C24 | H24 | 0.1° | 0.1° |
| C18 | C19 | C20 | C21 | 178.2° | 179.8° |
| C18 | C19 | C20 | H20 | 1.8° | 0.3° |
| C19 | C18 | N17 | C14 | 157.7° | 180.0° |
| C19 | C18 | N17 | HN17 | 22.3° | 0.0° |
| N17 | C18 | C19 | C24 | 145.0° | 180.0° |
| N17 | C18 | C19 | C20 | 34.9° | 0.3° |
| C18 | N17 | C14 | HN17 | 180.0° | 180.0° |
| C18 | N17 | C14 | C16 | 57.3° | 60.0° |
| C18 | N17 | C14 | C15 | 179.5° | 60.0° |
| C18 | N17 | C14 | C12 | 64.7° | 180.0° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.1° | 0.0° |
| C19 | C24 | C23 | H23 | 179.9° | 180.0° |
| C24 | C19 | C20 | C21 | 1.7° | 0.6° |
| C24 | C19 | C20 | H20 | 178.3° | 180.0° |
| C20 | C19 | C24 | C23 | 0.0° | 0.3° |
| C20 | C19 | C24 | H24 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 3.6° | 0.6° |
| C19 | C20 | C21 | H20 | 180.0° | 179.4° |
| C19 | C20 | C21 | H21 | 176.4° | 179.7° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 1.9° | 0.1° |
| C24 | C23 | C22 | H22 | 178.1° | 180.0° |
| H24 | C24 | C23 | C22 | 179.9° | 179.9° |
| H24 | C24 | C23 | H23 | 0.1° | 0.1° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 3.6° | 0.2° |
| C23 | C22 | C21 | H21 | 176.4° | 180.0° |
| H23 | C23 | C22 | C21 | 178.1° | 179.9° |
| H23 | C23 | C22 | H22 | 1.9° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 179.8° |
| C22 | C21 | C20 | H20 | 176.4° | 180.0° |
| H22 | C22 | C21 | C20 | 176.4° | 179.7° |
| H22 | C22 | C21 | H21 | 3.6° | 0.0° |
| H21 | C21 | C20 | H20 | 3.6° | 0.2° |
| N17 | C14 | C16 | C15 | 121.5° | 120.0° |
| N17 | C14 | C16 | C12 | 117.5° | 120.0° |
| N17 | C14 | C15 | C12 | 113.6° | 120.0° |
| N17 | C14 | C16 | H161 | 141.0° | 60.0° |
| N17 | C14 | C16 | H162 | 21.0° | 60.0° |
| N17 | C14 | C16 | H163 | 99.0° | 180.0° |
| N17 | C14 | C15 | C27 | 57.7° | 65.0° |
| N17 | C14 | C15 | C26 | 175.3° | 175.0° |
| N17 | C14 | C15 | H15 | 59.8° | 55.0° |
| N17 | C14 | C12 | N11 | 53.6° | 120.0° |
| N17 | C14 | C12 | C13 | 126.9° | 60.0° |
| HN17 | N17 | C14 | C16 | 122.7° | 120.0° |
| HN17 | N17 | C14 | C15 | 0.5° | 120.0° |
| HN17 | N17 | C14 | C12 | 115.3° | 0.0° |
| C16 | C14 | C15 | C12 | 123.4° | 120.0° |
| C14 | C16 | H161 | H162 | 120.0° | 120.1° |
| C14 | C16 | H161 | H163 | 120.0° | 120.0° |
| C14 | C16 | H162 | H163 | 120.0° | 119.9° |
| C16 | C14 | C15 | C27 | 65.3° | 175.0° |
| C16 | C14 | C15 | C26 | 61.7° | 55.0° |
| C16 | C14 | C15 | H15 | 177.2° | 65.0° |
| C16 | C14 | C12 | N11 | 175.1° | 120.0° |
| C16 | C14 | C12 | C13 | 5.4° | 60.0° |
| C15 | C14 | C16 | H161 | 19.5° | 180.0° |
| C15 | C14 | C16 | H162 | 100.5° | 59.9° |
| C15 | C14 | C16 | H163 | 139.5° | 60.0° |
| C14 | C15 | C27 | C26 | 129.3° | 120.0° |
| C14 | C15 | C27 | H15 | 114.5° | 120.0° |
| C14 | C15 | C26 | H15 | 114.1° | 120.0° |
| C14 | C15 | C27 | H271 | 159.1° | 60.0° |
| C14 | C15 | C27 | H272 | 39.1° | 180.0° |
| C14 | C15 | C27 | H273 | 80.9° | 60.0° |
| C14 | C15 | C26 | H261 | 88.5° | 180.0° |
| C14 | C15 | C26 | H262 | 31.5° | 59.9° |
| C14 | C15 | C26 | H263 | 151.5° | 60.0° |
| C15 | C14 | C12 | N11 | 62.7° | 0.0° |
| C15 | C14 | C12 | C13 | 116.7° | 180.0° |
| C12 | C14 | C16 | H161 | 101.5° | 59.9° |
| C12 | C14 | C16 | H162 | 138.5° | 180.0° |
| C12 | C14 | C16 | H163 | 18.5° | 60.1° |
| C12 | C14 | C15 | C27 | 171.3° | 55.0° |
| C12 | C14 | C15 | C26 | 61.7° | 65.0° |
| C12 | C14 | C15 | H15 | 53.9° | 175.0° |
| C14 | C12 | N11 | C13 | 179.5° | 180.0° |
| C14 | C12 | N11 | N10 | 179.5° | 179.8° |
| C14 | C12 | C13 | N | 180.0° | 180.0° |
| C14 | C12 | C13 | H13 | 0.0° | 0.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| C27 | C15 | C26 | H15 | 117.8° | 120.0° |
| C15 | C27 | H271 | H272 | 120.0° | 120.0° |
| C15 | C27 | H271 | H273 | 120.0° | 120.0° |
| C15 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | C15 | C26 | H261 | 39.6° | 60.1° |
| C27 | C15 | C26 | H262 | 159.6° | 60.0° |
| C27 | C15 | C26 | H263 | 80.4° | 180.0° |
| C26 | C15 | C27 | H271 | 71.6° | 60.0° |
| C26 | C15 | C27 | H272 | 168.4° | 60.0° |
| C26 | C15 | C27 | H273 | 48.4° | 180.0° |
| C15 | C26 | H261 | H262 | 120.0° | 120.1° |
| C15 | C26 | H261 | H263 | 120.0° | 119.9° |
| C15 | C26 | H262 | H263 | 120.0° | 120.0° |
| H15 | C15 | C27 | H271 | 44.7° | 180.0° |
| H15 | C15 | C27 | H272 | 75.3° | 60.0° |
| H15 | C15 | C27 | H273 | 164.6° | 60.0° |
| H15 | C15 | C26 | H261 | 157.4° | 59.9° |
| H15 | C15 | C26 | H262 | 82.6° | 180.0° |
| H15 | C15 | C26 | H263 | 37.4° | 60.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| C12 | N11 | N10 | N | 0.6° | 0.4° |
| N11 | C12 | C13 | N | 0.6° | 0.0° |
| N11 | C12 | C13 | H13 | 179.4° | 180.0° |
| C13 | C12 | N11 | N10 | 0.0° | 0.2° |
| C12 | C13 | N | N10 | 1.0° | 0.3° |
| C12 | C13 | N | H13 | 180.0° | 180.0° |
| C12 | C13 | N | C4 | 178.8° | 180.0° |
| N11 | N10 | N | C13 | 1.1° | 0.4° |
| N11 | N10 | N | C4 | 179.1° | 179.9° |
| N10 | N | C13 | C4 | 177.9° | 179.7° |
| N10 | N | C13 | H13 | 179.0° | 179.7° |
| N10 | N | C4 | C2 | 89.1° | 144.7° |
| N10 | N | C4 | C5 | 85.1° | 95.3° |
| N10 | N | C4 | H4 | 165.6° | 24.7° |
| C13 | N | C4 | C2 | 88.7° | 35.0° |
| C13 | N | C4 | C5 | 97.2° | 85.0° |
| C13 | N | C4 | H4 | 16.6° | 155.0° |
| H13 | C13 | N | C4 | 1.2° | 0.0° |
| N | C4 | C2 | C5 | 174.2° | 120.0° |
| N | C4 | C2 | H4 | 102.3° | 120.0° |
| N | C4 | C5 | H4 | 89.9° | 120.0° |
| N | C4 | C2 | C | 63.4° | 85.0° |
| N | C4 | C2 | O | 122.2° | 95.0° |
| N | C4 | C5 | C7 | 31.3° | 175.0° |
| N | C4 | C5 | H51 | 85.9° | 55.0° |
| N | C4 | C5 | H52 | 151.3° | 65.0° |
| C2 | C4 | C5 | H4 | 96.0° | 120.0° |
| C4 | C2 | C | O | 174.6° | 180.0° |
| C4 | C2 | C | H1 | 133.8° | 90.0° |
| C4 | C2 | C | H2 | 13.8° | 150.0° |
| C4 | C2 | C | H3 | 106.2° | 30.0° |
| C2 | C4 | C5 | C7 | 154.6° | 65.0° |
| C2 | C4 | C5 | H51 | 88.1° | 175.0° |
| C2 | C4 | C5 | H52 | 34.6° | 55.0° |
| C5 | C4 | C2 | C | 122.4° | 155.0° |
| C5 | C4 | C2 | O | 52.0° | 25.0° |
| C4 | C5 | C7 | H51 | 117.3° | 120.0° |
| C4 | C5 | C7 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 118.3° | 119.9° |
| C4 | C5 | C7 | C8 | 179.1° | 125.0° |
| C4 | C5 | C7 | H7 | 1.0° | 55.0° |
| H4 | C4 | C2 | C | 39.0° | 35.0° |
| H4 | C4 | C2 | O | 135.5° | 145.0° |
| H4 | C4 | C5 | C7 | 58.6° | 54.9° |
| H4 | C4 | C5 | H51 | 175.8° | 65.0° |
| H4 | C4 | C5 | H52 | 61.4° | 175.0° |
| C2 | C | H1 | H2 | 120.0° | 120.0° |
| C2 | C | H1 | H3 | 120.0° | 120.0° |
| C2 | C | H2 | H3 | 120.0° | 120.0° |
| O | C2 | C | H1 | 51.6° | 90.0° |
| O | C2 | C | H2 | 171.6° | 30.0° |
| O | C2 | C | H3 | 68.4° | 150.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| C7 | C5 | H51 | H52 | 118.3° | 120.0° |
| C5 | C7 | C8 | H7 | 180.0° | 180.0° |
| C5 | C7 | C8 | C9 | 179.9° | 180.0° |
| C5 | C7 | C8 | H8 | 0.1° | 0.1° |
| H51 | C5 | C7 | C8 | 61.8° | 115.0° |
| H51 | C5 | C7 | H7 | 118.2° | 65.0° |
| H52 | C5 | C7 | C8 | 60.9° | 5.0° |
| H52 | C5 | C7 | H7 | 119.0° | 175.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | H91 | 12.3° | 180.0° |
| C7 | C8 | C9 | H92 | 132.3° | 60.0° |
| C7 | C8 | C9 | H93 | 107.7° | 60.0° |
| H7 | C7 | C8 | C9 | 0.0° | 0.0° |
| H7 | C7 | C8 | H8 | 180.0° | 180.0° |
| C8 | C9 | H91 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H93 | 120.1° | 120.0° |
| C8 | C9 | H92 | H93 | 120.0° | 120.0° |
| H8 | C8 | C9 | H91 | 167.7° | 0.1° |
| H8 | C8 | C9 | H92 | 47.6° | 119.9° |
| H8 | C8 | C9 | H93 | 72.3° | 120.0° |
| H91 | C9 | H92 | H93 | 119.9° | 120.0° |
