279
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O28 | sing | 1.43Å | 1.43Å | |
| O28 | N25 | sing | 1.42Å | 1.43Å | |
| N25 | C13 | sing | 1.35Å | 1.38Å | |
| C13 | O26 | doub | 1.22Å | 1.23Å | |
| C13 | C5 | sing | 1.48Å | 1.49Å | |
| C1 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C15 | sing | 1.51Å | 1.50Å | |
| C9 | N23 | sing | 1.40Å | 1.40Å | |
| N23 | C12 | sing | 1.38Å | 1.37Å | |
| C12 | N21 | doub | 1.32Å | 1.31Å | Aromatic |
| C12 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| C16 | C8 | sing | 1.51Å | 1.49Å | |
| N21 | C11 | sing | 1.33Å | 1.38Å | Aromatic |
| C10 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | N22 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | N20 | doub | 1.30Å | 1.30Å | Aromatic |
| N22 | N20 | sing | 1.40Å | 1.37Å | Aromatic |
| N22 | C4 | sing | 1.34Å | 1.37Å | Aromatic |
| C6 | C14 | sing | 1.47Å | 1.45Å | |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| O27 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | N24 | sing | 1.35Å | 1.38Å | |
| N24 | C19 | sing | 1.46Å | 1.44Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O28 | N25 | 109.9° | 114.0° |
| O28 | C18 | H181 | 109.5° | 109.5° |
| O28 | C18 | H182 | 109.5° | 109.5° |
| O28 | C18 | H183 | 109.5° | 109.5° |
| O28 | N25 | C13 | 111.3° | 120.0° |
| O28 | N25 | H25 | 124.4° | 120.0° |
| N25 | C13 | O26 | 123.0° | 120.0° |
| N25 | C13 | C5 | 119.2° | 120.0° |
| C13 | N25 | H25 | 124.4° | 120.0° |
| O26 | C13 | C5 | 117.8° | 120.0° |
| C13 | C5 | C1 | 126.4° | 120.1° |
| C13 | C5 | C3 | 115.2° | 120.1° |
| C5 | C1 | C2 | 120.7° | 120.0° |
| C1 | C5 | C3 | 118.4° | 119.8° |
| C5 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | C7 | 120.1° | 120.2° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C1 | C2 | H2 | 119.9° | 119.9° |
| C5 | C3 | C9 | 121.4° | 119.8° |
| C5 | C3 | H3 | 119.3° | 120.1° |
| C2 | C7 | C9 | 118.6° | 120.3° |
| C2 | C7 | C15 | 121.5° | 119.9° |
| C7 | C2 | H2 | 120.0° | 119.9° |
| C3 | C9 | C7 | 120.8° | 119.9° |
| C3 | C9 | N23 | 117.8° | 120.0° |
| C9 | C3 | H3 | 119.3° | 120.1° |
| C9 | C7 | C15 | 120.0° | 119.8° |
| C7 | C9 | N23 | 121.4° | 120.0° |
| C7 | C15 | H151 | 109.5° | 109.5° |
| C7 | C15 | H152 | 109.5° | 109.5° |
| C7 | C15 | H153 | 109.5° | 109.5° |
| C9 | N23 | C12 | 122.4° | 120.1° |
| C9 | N23 | H23 | 118.8° | 120.0° |
| N23 | C12 | N21 | 123.1° | 120.4° |
| N23 | C12 | C10 | 119.4° | 120.4° |
| C12 | N23 | H23 | 118.8° | 120.0° |
| N21 | C12 | C10 | 117.5° | 119.2° |
| C12 | N21 | C11 | 120.7° | 121.6° |
| C12 | C10 | C8 | 133.3° | 133.3° |
| C12 | C10 | N22 | 117.2° | 118.5° |
| C16 | C8 | C10 | 127.6° | 126.6° |
| C16 | C8 | C6 | 126.5° | 126.6° |
| C8 | C16 | H161 | 109.5° | 109.5° |
| C8 | C16 | H162 | 109.4° | 109.4° |
| C8 | C16 | H163 | 109.5° | 109.5° |
| N21 | C11 | N20 | 125.7° | 122.4° |
| N21 | C11 | H11 | 117.1° | 118.8° |
| C8 | C10 | N22 | 109.4° | 108.2° |
| C10 | C8 | C6 | 105.8° | 106.8° |
| C10 | N22 | N20 | 124.9° | 118.3° |
| C10 | N22 | C4 | 108.9° | 109.0° |
| C8 | C6 | C14 | 128.1° | 126.4° |
| C8 | C6 | C4 | 107.1° | 107.2° |
| C11 | N20 | N22 | 114.0° | 120.1° |
| N20 | C11 | H11 | 117.1° | 118.9° |
| N20 | N22 | C4 | 126.3° | 132.8° |
| N22 | C4 | C6 | 108.7° | 108.8° |
| N22 | C4 | H4 | 125.6° | 125.6° |
| C14 | C6 | C4 | 124.8° | 126.4° |
| C6 | C14 | O27 | 122.9° | 120.0° |
| C6 | C14 | N24 | 113.0° | 120.0° |
| C6 | C4 | H4 | 125.6° | 125.6° |
| O27 | C14 | N24 | 124.2° | 119.9° |
| C14 | N24 | C19 | 122.2° | 120.1° |
| C14 | N24 | H24 | 118.9° | 119.9° |
| N24 | C19 | C17 | 109.5° | 109.5° |
| N24 | C19 | H191 | 109.4° | 109.5° |
| N24 | C19 | H192 | 109.4° | 109.5° |
| C19 | N24 | H24 | 118.9° | 120.0° |
| C19 | C17 | H171 | 109.5° | 109.5° |
| C19 | C17 | H172 | 109.5° | 109.4° |
| C19 | C17 | H173 | 109.5° | 109.6° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.4° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | O28 | N25 | C13 | 105.9° | 180.0° |
| O28 | C18 | H181 | H182 | 120.0° | 120.1° |
| O28 | C18 | H181 | H183 | 120.0° | 120.0° |
| O28 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | O28 | N25 | H25 | 74.1° | 0.0° |
| O28 | N25 | C13 | H25 | 180.0° | 180.0° |
| O28 | N25 | C13 | O26 | 27.0° | 0.0° |
| O28 | N25 | C13 | C5 | 153.1° | 180.0° |
| N25 | O28 | C18 | H181 | 40.8° | 60.0° |
| N25 | O28 | C18 | H182 | 160.7° | 60.0° |
| N25 | O28 | C18 | H183 | 79.2° | 180.0° |
| N25 | C13 | O26 | C5 | 179.9° | 180.0° |
| N25 | C13 | C5 | C1 | 11.5° | 0.0° |
| N25 | C13 | C5 | C3 | 169.2° | 180.0° |
| O26 | C13 | C5 | C1 | 168.4° | 180.0° |
| O26 | C13 | C5 | C3 | 10.9° | 0.1° |
| O26 | C13 | N25 | H25 | 153.0° | 180.0° |
| C13 | C5 | C1 | C3 | 179.2° | 180.0° |
| C13 | C5 | C1 | C2 | 179.7° | 180.0° |
| C13 | C5 | C3 | C9 | 179.7° | 180.0° |
| C13 | C5 | C1 | H1 | 0.3° | 0.3° |
| C13 | C5 | C3 | H3 | 0.3° | 0.1° |
| C5 | C13 | N25 | H25 | 26.9° | 0.0° |
| C5 | C1 | C2 | H1 | 180.0° | 179.7° |
| C5 | C1 | C2 | C7 | 0.2° | 0.0° |
| C1 | C5 | C3 | C9 | 0.4° | 0.0° |
| C5 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C5 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C5 | C3 | 0.5° | 0.0° |
| C1 | C2 | C7 | H2 | 180.0° | 180.0° |
| C1 | C2 | C7 | C9 | 0.1° | 0.0° |
| C1 | C2 | C7 | C15 | 179.7° | 180.0° |
| C5 | C3 | C9 | H3 | 180.0° | 179.9° |
| C5 | C3 | C9 | C7 | 0.0° | 0.0° |
| C5 | C3 | C9 | N23 | 179.9° | 180.0° |
| C3 | C5 | C1 | H1 | 179.5° | 179.7° |
| C2 | C7 | C9 | C3 | 0.3° | 0.0° |
| C2 | C7 | C9 | C15 | 179.5° | 179.9° |
| C2 | C7 | C9 | N23 | 179.8° | 179.9° |
| C7 | C2 | C1 | H1 | 179.8° | 179.7° |
| C2 | C7 | C15 | H151 | 150.2° | 90.0° |
| C2 | C7 | C15 | H152 | 30.2° | 149.9° |
| C2 | C7 | C15 | H153 | 89.8° | 30.0° |
| C3 | C9 | C7 | N23 | 179.9° | 180.0° |
| C3 | C9 | C7 | C15 | 179.8° | 180.0° |
| C3 | C9 | N23 | C12 | 86.2° | 21.3° |
| C3 | C9 | N23 | H23 | 93.8° | 158.6° |
| C7 | C9 | N23 | C12 | 93.7° | 158.7° |
| C9 | C7 | C2 | H2 | 179.9° | 180.0° |
| C7 | C9 | C3 | H3 | 180.0° | 180.0° |
| C9 | C7 | C15 | H151 | 30.3° | 90.1° |
| C9 | C7 | C15 | H152 | 150.3° | 30.0° |
| C9 | C7 | C15 | H153 | 89.7° | 150.0° |
| C7 | C9 | N23 | H23 | 86.3° | 21.4° |
| C15 | C7 | C9 | N23 | 0.3° | 0.0° |
| C15 | C7 | C2 | H2 | 0.3° | 0.1° |
| C7 | C15 | H151 | H152 | 120.0° | 120.1° |
| C7 | C15 | H151 | H153 | 120.0° | 120.0° |
| C7 | C15 | H152 | H153 | 120.0° | 120.0° |
| C9 | N23 | C12 | H23 | 180.0° | 179.9° |
| C9 | N23 | C12 | N21 | 0.2° | 6.0° |
| C9 | N23 | C12 | C10 | 179.7° | 173.9° |
| N23 | C9 | C3 | H3 | 0.0° | 0.0° |
| N23 | C12 | N21 | C10 | 179.5° | 179.9° |
| N23 | C12 | N21 | C11 | 179.1° | 180.0° |
| N23 | C12 | C10 | C8 | 1.0° | 0.0° |
| N23 | C12 | C10 | N22 | 179.1° | 179.8° |
| N21 | C12 | C10 | C8 | 178.5° | 179.9° |
| N21 | C12 | C10 | N22 | 1.4° | 0.3° |
| C12 | N21 | C11 | N20 | 0.8° | 0.3° |
| C12 | N21 | C11 | H11 | 179.3° | 179.9° |
| N21 | C12 | N23 | H23 | 179.8° | 174.1° |
| C12 | C10 | C8 | C16 | 0.8° | 0.0° |
| C10 | C12 | N21 | C11 | 1.4° | 0.0° |
| C12 | C10 | C8 | N22 | 179.9° | 179.8° |
| C12 | C10 | C8 | C6 | 179.8° | 180.0° |
| C12 | C10 | N22 | N20 | 0.8° | 0.1° |
| C12 | C10 | N22 | C4 | 179.6° | 179.8° |
| C10 | C12 | N23 | H23 | 0.3° | 6.0° |
| C16 | C8 | C10 | C6 | 179.0° | 180.0° |
| C16 | C8 | C10 | N22 | 179.2° | 179.8° |
| C16 | C8 | C6 | C14 | 2.1° | 0.0° |
| C16 | C8 | C6 | C4 | 179.7° | 180.0° |
| C8 | C16 | H161 | H162 | 120.0° | 120.0° |
| C8 | C16 | H161 | H163 | 120.0° | 120.0° |
| C8 | C16 | H162 | H163 | 120.0° | 120.0° |
| N21 | C11 | N20 | H11 | 180.0° | 179.6° |
| N21 | C11 | N20 | N22 | 0.0° | 0.4° |
| C8 | C10 | N22 | N20 | 179.2° | 180.0° |
| C8 | C10 | N22 | C4 | 0.3° | 0.4° |
| C10 | C8 | C6 | C14 | 178.9° | 180.0° |
| C10 | C8 | C6 | C4 | 0.7° | 0.0° |
| C10 | C8 | C16 | H161 | 14.1° | 84.3° |
| C10 | C8 | C16 | H162 | 134.1° | 35.7° |
| C10 | C8 | C16 | H163 | 105.9° | 155.7° |
| N22 | C10 | C8 | C6 | 0.2° | 0.2° |
| C10 | N22 | N20 | C11 | 0.1° | 0.2° |
| C10 | N22 | N20 | C4 | 178.7° | 179.5° |
| C10 | N22 | C4 | C6 | 0.8° | 0.4° |
| C10 | N22 | C4 | H4 | 179.2° | 179.9° |
| C8 | C6 | C4 | N22 | 0.9° | 0.2° |
| C8 | C6 | C14 | C4 | 177.9° | 180.0° |
| C8 | C6 | C14 | O27 | 20.1° | 0.0° |
| C8 | C6 | C14 | N24 | 158.9° | 180.0° |
| C8 | C6 | C4 | H4 | 179.0° | 180.0° |
| C6 | C8 | C16 | H161 | 167.1° | 95.7° |
| C6 | C8 | C16 | H162 | 47.1° | 144.3° |
| C6 | C8 | C16 | H163 | 72.9° | 24.3° |
| C11 | N20 | N22 | C4 | 178.7° | 179.3° |
| N20 | N22 | C4 | C6 | 179.6° | 179.9° |
| N20 | N22 | C4 | H4 | 0.3° | 0.3° |
| N22 | N20 | C11 | H11 | 180.0° | 180.0° |
| N22 | C4 | C6 | C14 | 179.2° | 179.8° |
| N22 | C4 | C6 | H4 | 180.0° | 179.7° |
| C6 | C14 | O27 | N24 | 178.9° | 180.0° |
| C6 | C14 | N24 | C19 | 179.6° | 180.0° |
| C14 | C6 | C4 | H4 | 0.8° | 0.1° |
| C6 | C14 | N24 | H24 | 0.4° | 0.0° |
| C4 | C6 | C14 | O27 | 162.1° | 180.0° |
| C4 | C6 | C14 | N24 | 19.0° | 0.0° |
| O27 | C14 | N24 | C19 | 0.7° | 0.0° |
| O27 | C14 | N24 | H24 | 179.3° | 180.0° |
| C14 | N24 | C19 | H24 | 180.0° | 180.0° |
| C14 | N24 | C19 | C17 | 89.4° | 180.0° |
| C14 | N24 | C19 | H191 | 150.6° | 60.0° |
| C14 | N24 | C19 | H192 | 30.6° | 60.0° |
| N24 | C19 | C17 | H191 | 120.0° | 120.0° |
| N24 | C19 | C17 | H192 | 120.0° | 120.1° |
| N24 | C19 | C17 | H171 | 51.2° | 60.0° |
| N24 | C19 | C17 | H172 | 68.8° | 60.0° |
| N24 | C19 | C17 | H173 | 171.3° | 180.0° |
| N24 | C19 | H191 | H192 | 120.0° | 120.0° |
| C19 | C17 | H171 | H172 | 120.0° | 119.9° |
| C19 | C17 | H171 | H173 | 120.0° | 120.1° |
| C19 | C17 | H172 | H173 | 120.0° | 120.1° |
| C17 | C19 | H191 | H192 | 120.0° | 119.9° |
| C17 | C19 | N24 | H24 | 90.6° | 0.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H151 | C15 | H152 | H153 | 120.0° | 119.9° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H171 | C17 | C19 | H191 | 171.2° | 60.1° |
| H171 | C17 | C19 | H192 | 68.7° | 180.0° |
| H172 | C17 | C19 | H191 | 51.2° | 180.0° |
| H172 | C17 | C19 | H192 | 171.3° | 60.1° |
| H173 | C17 | C19 | H191 | 68.8° | 60.0° |
| H173 | C17 | C19 | H192 | 51.3° | 59.9° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | N24 | H24 | 29.4° | 120.0° |
| H192 | C19 | N24 | H24 | 149.4° | 120.0° |
