7AD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C10 | sing | 1.46Å | 24.39Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | N1 | sing | 1.42Å | 27.27Å | |
| N10 | C12 | sing | 1.35Å | 1.32Å | Aromatic |
| N10 | C14 | doub | 1.35Å | 1.31Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| N1 | HN11 | sing | 1.00Å | 0.00Å | |
| N1 | HN12 | sing | 0.99Å | 0.00Å | |
| C10 | O1 | doub | 1.24Å | 0.00Å | |
| C10 | N2 | sing | 1.40Å | 0.00Å | |
| N2 | C15 | sing | 1.45Å | 0.00Å | |
| N2 | HN2 | sing | 1.02Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C15 | H151 | sing | 1.09Å | 0.00Å | |
| C15 | H152 | sing | 1.09Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C16 | H161 | sing | 1.10Å | 0.00Å | |
| C16 | H162 | sing | 1.10Å | 0.00Å | |
| C17 | N3 | sing | 1.44Å | 0.00Å | |
| C17 | H171 | sing | 1.09Å | 0.00Å | |
| C17 | H172 | sing | 1.09Å | 0.00Å | |
| N3 | C18 | sing | 1.47Å | 0.00Å | |
| N3 | C19 | sing | 1.47Å | 0.00Å | |
| C18 | H181 | sing | 1.09Å | 0.00Å | |
| C18 | H182 | sing | 1.09Å | 0.00Å | |
| C18 | H183 | sing | 1.09Å | 0.00Å | |
| C19 | H191 | sing | 1.09Å | 0.00Å | |
| C19 | H192 | sing | 1.09Å | 0.00Å | |
| C19 | H193 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C11 | 121.8° | 120.3° |
| C2 | C1 | H1 | 119.1° | 117.8° |
| C1 | C2 | C3 | 120.3° | 119.5° |
| C1 | C2 | H2 | 119.9° | 120.2° |
| C11 | C1 | H1 | 119.1° | 121.8° |
| C1 | C11 | C9 | 122.9° | 121.7° |
| C1 | C11 | C12 | 117.8° | 120.5° |
| C3 | C2 | H2 | 119.9° | 120.3° |
| C2 | C3 | C4 | 122.2° | 120.0° |
| C2 | C3 | H3 | 118.9° | 119.4° |
| C4 | C3 | H3 | 118.9° | 120.6° |
| C3 | C4 | C12 | 117.5° | 121.6° |
| C3 | C4 | C10 | 123.2° | 117.8° |
| C12 | C4 | C10 | 118.1° | 120.6° |
| C4 | C12 | N10 | 120.2° | 120.0° |
| C4 | C12 | C11 | 120.4° | 118.1° |
| C4 | C10 | O1 | 90.0° | 120.3° |
| C4 | C10 | N2 | 90.0° | 116.8° |
| C6 | C5 | C14 | 119.2° | 121.6° |
| C6 | C5 | H5 | 120.4° | 118.6° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C5 | C6 | H6 | 119.5° | 119.9° |
| C14 | C5 | H5 | 120.4° | 119.8° |
| C5 | C14 | N10 | 118.0° | 120.0° |
| C5 | C14 | C13 | 120.5° | 118.1° |
| C7 | C6 | H6 | 119.5° | 120.1° |
| C6 | C7 | C8 | 120.7° | 119.5° |
| C6 | C7 | H7 | 119.7° | 120.2° |
| C8 | C7 | H7 | 119.7° | 120.3° |
| C7 | C8 | C13 | 120.0° | 120.4° |
| C7 | C8 | H8 | 120.0° | 117.9° |
| C13 | C8 | H8 | 120.0° | 121.8° |
| C8 | C13 | C9 | 123.8° | 121.8° |
| C8 | C13 | C14 | 118.4° | 120.5° |
| C11 | C9 | C13 | 118.1° | 120.6° |
| C11 | C9 | N1 | 57.2° | 119.7° |
| C9 | C11 | C12 | 119.3° | 117.8° |
| C13 | C9 | N1 | 61.7° | 119.7° |
| C9 | C13 | C14 | 117.8° | 117.8° |
| C9 | N1 | HN11 | 90.0° | 118.6° |
| C9 | N1 | HN12 | 90.0° | 118.7° |
| C12 | N10 | C14 | 123.9° | 120.1° |
| N10 | C12 | C11 | 119.0° | 121.9° |
| N10 | C14 | C13 | 121.5° | 121.9° |
| HN11 | N1 | HN12 | 90.0° | 122.4° |
| O1 | C10 | N2 | 90.0° | 122.8° |
| C10 | N2 | C15 | 90.0° | 123.4° |
| C10 | N2 | HN2 | 90.0° | 119.4° |
| C15 | N2 | HN2 | 90.0° | 117.0° |
| N2 | C15 | C16 | 90.0° | 112.6° |
| N2 | C15 | H151 | 90.0° | 107.8° |
| N2 | C15 | H152 | 90.0° | 106.9° |
| C16 | C15 | H151 | 90.0° | 111.5° |
| C16 | C15 | H152 | 90.0° | 109.9° |
| C15 | C16 | C17 | 90.0° | 113.8° |
| C15 | C16 | H161 | 90.0° | 108.6° |
| C15 | C16 | H162 | 90.0° | 109.3° |
| H151 | C15 | H152 | 90.0° | 108.0° |
| C17 | C16 | H161 | 90.0° | 109.3° |
| C17 | C16 | H162 | 90.0° | 108.6° |
| C16 | C17 | N3 | 90.0° | 112.6° |
| C16 | C17 | H171 | 90.0° | 109.9° |
| C16 | C17 | H172 | 90.0° | 111.6° |
| H161 | C16 | H162 | 90.0° | 107.1° |
| N3 | C17 | H171 | 90.0° | 106.8° |
| N3 | C17 | H172 | 90.0° | 107.8° |
| C17 | N3 | C18 | 90.0° | 111.4° |
| C17 | N3 | C19 | 90.0° | 111.4° |
| H171 | C17 | H172 | 90.0° | 108.0° |
| C18 | N3 | C19 | 90.0° | 109.5° |
| N3 | C18 | H181 | 90.0° | 110.2° |
| N3 | C18 | H182 | 90.0° | 110.2° |
| N3 | C18 | H183 | 90.0° | 110.2° |
| N3 | C19 | H191 | 90.0° | 110.1° |
| N3 | C19 | H192 | 90.0° | 110.2° |
| N3 | C19 | H193 | 90.0° | 110.2° |
| H181 | C18 | H182 | 90.0° | 108.8° |
| H181 | C18 | H183 | 90.0° | 108.8° |
| H182 | C18 | H183 | 90.0° | 108.7° |
| H191 | C19 | H192 | 90.0° | 108.8° |
| H191 | C19 | H193 | 90.0° | 108.8° |
| H192 | C19 | H193 | 90.0° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C11 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| C2 | C1 | C11 | C9 | 179.5° | 180.0° |
| C2 | C1 | C11 | C12 | 1.0° | 0.0° |
| C11 | C1 | C2 | C3 | 0.6° | 0.0° |
| C11 | C1 | C2 | H2 | 179.4° | 180.0° |
| C1 | C11 | C12 | C4 | 2.7° | 0.0° |
| C1 | C11 | C9 | C12 | 179.5° | 180.0° |
| C1 | C11 | C9 | C13 | 179.3° | 180.0° |
| C1 | C11 | C9 | N1 | 170.8° | 0.0° |
| C1 | C11 | C12 | N10 | 175.2° | 180.0° |
| H1 | C1 | C2 | C3 | 179.3° | 180.0° |
| H1 | C1 | C2 | H2 | 0.7° | 0.0° |
| H1 | C1 | C11 | C9 | 0.4° | 0.0° |
| H1 | C1 | C11 | C12 | 179.1° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C12 | 1.2° | 0.0° |
| C2 | C3 | C4 | C10 | 168.4° | 180.0° |
| H2 | C2 | C3 | C4 | 179.5° | 180.0° |
| H2 | C2 | C3 | H3 | 0.5° | 0.0° |
| C3 | C4 | C12 | C10 | 167.8° | 180.0° |
| C3 | C4 | C12 | N10 | 175.2° | 180.0° |
| C3 | C4 | C12 | C11 | 2.8° | 0.0° |
| C3 | C4 | C10 | O1 | 90.0° | 91.1° |
| C3 | C4 | C10 | N2 | 90.0° | 90.0° |
| H3 | C3 | C4 | C12 | 178.8° | 180.0° |
| H3 | C3 | C4 | C10 | 11.6° | 0.0° |
| C4 | C12 | C11 | C9 | 177.8° | 180.0° |
| C4 | C12 | N10 | C11 | 172.5° | 180.0° |
| C4 | C12 | N10 | C14 | 179.8° | 180.0° |
| C12 | C4 | C10 | O1 | 90.0° | 88.9° |
| C12 | C4 | C10 | N2 | 90.0° | 90.0° |
| C10 | C4 | C12 | N10 | 16.9° | 0.0° |
| C10 | C4 | C12 | C11 | 170.6° | 180.0° |
| C4 | C10 | O1 | N2 | 90.0° | 178.9° |
| C4 | C10 | N2 | C15 | 90.0° | 178.9° |
| C4 | C10 | N2 | HN2 | 90.0° | 3.0° |
| C6 | C5 | C14 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 5.4° | 0.0° |
| C5 | C6 | C7 | H7 | 174.6° | 180.0° |
| C6 | C5 | C14 | N10 | 179.7° | 180.0° |
| C6 | C5 | C14 | C13 | 0.7° | 0.0° |
| C14 | C5 | C6 | C7 | 3.8° | 0.0° |
| C14 | C5 | C6 | H6 | 176.2° | 180.0° |
| C5 | C14 | C13 | C8 | 0.9° | 0.0° |
| C5 | C14 | C13 | C9 | 179.7° | 180.0° |
| C5 | C14 | N10 | C12 | 175.2° | 180.0° |
| C5 | C14 | N10 | C13 | 179.1° | 180.0° |
| H5 | C5 | C6 | C7 | 176.2° | 180.0° |
| H5 | C5 | C6 | H6 | 3.8° | 0.0° |
| H5 | C5 | C14 | N10 | 0.3° | 0.0° |
| H5 | C5 | C14 | C13 | 179.3° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C13 | 3.7° | 0.0° |
| C6 | C7 | C8 | H8 | 176.3° | 180.0° |
| H6 | C6 | C7 | C8 | 174.6° | 180.0° |
| H6 | C6 | C7 | H7 | 5.4° | 0.0° |
| C7 | C8 | C13 | H8 | 180.0° | 180.0° |
| C7 | C8 | C13 | C9 | 178.8° | 180.0° |
| C7 | C8 | C13 | C14 | 0.6° | 0.0° |
| H7 | C7 | C8 | C13 | 176.3° | 180.0° |
| H7 | C7 | C8 | H8 | 3.7° | 0.0° |
| C8 | C13 | C9 | C11 | 179.9° | 180.0° |
| C8 | C13 | C9 | C14 | 179.3° | 180.0° |
| C8 | C13 | C9 | N1 | 170.4° | 0.0° |
| C8 | C13 | C14 | N10 | 178.1° | 180.0° |
| H8 | C8 | C13 | C9 | 1.2° | 0.1° |
| H8 | C8 | C13 | C14 | 179.4° | 179.9° |
| C11 | C9 | C13 | N1 | 9.5° | 180.0° |
| C9 | C11 | C12 | N10 | 5.3° | 0.0° |
| C11 | C9 | C13 | C14 | 0.7° | 0.0° |
| C11 | C9 | N1 | HN11 | 90.0° | 48.7° |
| C11 | C9 | N1 | HN12 | 90.0° | 137.5° |
| C9 | C13 | C14 | N10 | 1.3° | 0.0° |
| C13 | C9 | C11 | C12 | 1.2° | 0.0° |
| C13 | C9 | N1 | HN11 | 90.0° | 131.2° |
| C13 | C9 | N1 | HN12 | 90.0° | 42.5° |
| N1 | C9 | C11 | C12 | 8.7° | 180.0° |
| N1 | C9 | C13 | C14 | 10.2° | 180.0° |
| C9 | N1 | HN11 | HN12 | 90.0° | 173.5° |
| C12 | N10 | C14 | C13 | 5.7° | 0.0° |
| C14 | N10 | C12 | C11 | 7.7° | 0.0° |
| O1 | C10 | N2 | C15 | 90.0° | 0.0° |
| O1 | C10 | N2 | HN2 | 90.0° | 175.8° |
| C10 | N2 | C15 | HN2 | 90.0° | 175.9° |
| C10 | N2 | C15 | C16 | 90.0° | 90.0° |
| C10 | N2 | C15 | H151 | 90.0° | 33.4° |
| C10 | N2 | C15 | H152 | 90.0° | 149.3° |
| N2 | C15 | C16 | H151 | 90.0° | 121.2° |
| N2 | C15 | C16 | H152 | 90.0° | 119.0° |
| N2 | C15 | H151 | H152 | 90.0° | 115.1° |
| N2 | C15 | C16 | C17 | 90.0° | 58.7° |
| N2 | C15 | C16 | H161 | 90.0° | 63.2° |
| N2 | C15 | C16 | H162 | 90.0° | 179.7° |
| HN2 | N2 | C15 | C16 | 90.0° | 86.0° |
| HN2 | N2 | C15 | H151 | 90.0° | 150.7° |
| HN2 | N2 | C15 | H152 | 90.0° | 34.8° |
| C16 | C15 | H151 | H152 | 90.0° | 120.9° |
| C15 | C16 | C17 | H161 | 90.0° | 121.6° |
| C15 | C16 | C17 | H162 | 90.0° | 121.9° |
| C15 | C16 | H161 | H162 | 90.0° | 117.9° |
| C15 | C16 | C17 | N3 | 90.0° | 178.9° |
| C15 | C16 | C17 | H171 | 90.0° | 60.0° |
| C15 | C16 | C17 | H172 | 90.0° | 59.7° |
| H151 | C15 | C16 | C17 | 90.0° | 180.0° |
| H151 | C15 | C16 | H161 | 90.0° | 58.0° |
| H151 | C15 | C16 | H162 | 90.0° | 58.5° |
| H152 | C15 | C16 | C17 | 90.0° | 60.3° |
| H152 | C15 | C16 | H161 | 90.0° | 177.8° |
| H152 | C15 | C16 | H162 | 90.0° | 61.3° |
| C17 | C16 | H161 | H162 | 90.0° | 117.5° |
| C16 | C17 | N3 | H171 | 90.0° | 120.7° |
| C16 | C17 | N3 | H172 | 90.0° | 123.4° |
| C16 | C17 | H171 | H172 | 90.0° | 121.9° |
| C16 | C17 | N3 | C18 | 90.0° | 179.3° |
| C16 | C17 | N3 | C19 | 90.0° | 56.8° |
| H161 | C16 | C17 | N3 | 90.0° | 59.5° |
| H161 | C16 | C17 | H171 | 90.0° | 178.5° |
| H161 | C16 | C17 | H172 | 90.0° | 61.8° |
| H162 | C16 | C17 | N3 | 90.0° | 57.0° |
| H162 | C16 | C17 | H171 | 90.0° | 61.9° |
| H162 | C16 | C17 | H172 | 90.0° | 178.3° |
| N3 | C17 | H171 | H172 | 90.0° | 115.7° |
| C17 | N3 | C18 | C19 | 90.0° | 123.6° |
| C17 | N3 | C18 | H181 | 90.0° | 49.4° |
| C17 | N3 | C18 | H182 | 90.0° | 70.6° |
| C17 | N3 | C18 | H183 | 90.0° | 169.4° |
| C17 | N3 | C19 | H191 | 90.0° | 120.7° |
| C17 | N3 | C19 | H192 | 90.0° | 0.6° |
| C17 | N3 | C19 | H193 | 90.0° | 119.3° |
| H171 | C17 | N3 | C18 | 90.0° | 60.0° |
| H171 | C17 | N3 | C19 | 90.0° | 177.5° |
| H172 | C17 | N3 | C18 | 90.0° | 55.9° |
| H172 | C17 | N3 | C19 | 90.0° | 66.6° |
| N3 | C18 | H181 | H182 | 90.0° | 120.9° |
| N3 | C18 | H181 | H183 | 90.0° | 120.9° |
| N3 | C18 | H182 | H183 | 90.0° | 120.9° |
| C18 | N3 | C19 | H191 | 90.0° | 2.9° |
| C18 | N3 | C19 | H192 | 90.0° | 123.0° |
| C18 | N3 | C19 | H193 | 90.0° | 117.1° |
| C19 | N3 | C18 | H181 | 90.0° | 173.0° |
| C19 | N3 | C18 | H182 | 90.0° | 52.9° |
| C19 | N3 | C18 | H183 | 90.0° | 67.0° |
| N3 | C19 | H191 | H192 | 90.0° | 120.9° |
| N3 | C19 | H191 | H193 | 90.0° | 120.8° |
| N3 | C19 | H192 | H193 | 90.0° | 120.8° |
| H181 | C18 | H182 | H183 | 90.0° | 118.3° |
| H191 | C19 | H192 | H193 | 90.0° | 118.4° |
