Obsolete: TNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.31Å | 0.00Å | Aromatic |
| N1 | C12 | sing | 1.33Å | 0.00Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 0.00Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 0.00Å | |
| C3 | C4 | doub | 1.37Å | 0.00Å | Aromatic |
| C3 | C15 | sing | 1.51Å | 0.00Å | |
| C4 | C13 | sing | 1.40Å | 0.00Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 0.00Å | |
| C5 | C6 | doub | 1.35Å | 0.00Å | Aromatic |
| C5 | C13 | sing | 1.41Å | 0.00Å | Aromatic |
| C5 | C16 | sing | 1.51Å | 0.00Å | |
| C6 | C14 | sing | 1.41Å | 0.00Å | Aromatic |
| C6 | C17 | sing | 1.51Å | 0.00Å | |
| C7 | C8 | doub | 1.37Å | 0.00Å | Aromatic |
| C7 | C14 | sing | 1.41Å | 0.00Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 0.00Å | |
| C8 | C9 | sing | 1.39Å | 0.00Å | Aromatic |
| C8 | C18 | sing | 1.51Å | 0.00Å | |
| C9 | N10 | doub | 1.31Å | 0.00Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 0.00Å | |
| N10 | C11 | sing | 1.33Å | 0.00Å | Aromatic |
| N10 | C19 | sing | 1.47Å | 0.00Å | |
| C11 | C12 | sing | 1.47Å | 0.00Å | Aromatic |
| C11 | C14 | doub | 1.41Å | 0.00Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 0.00Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 0.00Å | |
| C15 | H152 | sing | 1.09Å | 0.00Å | |
| C15 | H153 | sing | 1.09Å | 0.00Å | |
| C16 | H161 | sing | 1.09Å | 0.00Å | |
| C16 | H162 | sing | 1.09Å | 0.00Å | |
| C16 | H163 | sing | 1.09Å | 0.00Å | |
| C17 | H171 | sing | 1.09Å | 0.00Å | |
| C17 | H172 | sing | 1.09Å | 0.00Å | |
| C17 | H173 | sing | 1.09Å | 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 | N1 | C12 | 90.0° | 121.4° |
| N1 | C2 | C3 | 90.0° | 121.5° |
| N1 | C2 | H2 | 90.0° | 119.2° |
| N1 | C12 | C11 | 90.0° | 121.3° |
| N1 | C12 | C13 | 90.0° | 120.2° |
| C3 | C2 | H2 | 90.0° | 119.3° |
| C2 | C3 | C4 | 90.0° | 119.9° |
| C2 | C3 | C15 | 90.0° | 120.1° |
| C4 | C3 | C15 | 90.0° | 120.0° |
| C3 | C4 | C13 | 90.0° | 118.2° |
| C3 | C4 | H4 | 90.0° | 120.9° |
| C3 | C15 | H151 | 90.0° | 109.5° |
| C3 | C15 | H152 | 90.0° | 109.5° |
| C3 | C15 | H153 | 90.0° | 109.4° |
| C13 | C4 | H4 | 90.0° | 120.9° |
| C4 | C13 | C5 | 90.0° | 121.0° |
| C4 | C13 | C12 | 90.0° | 118.8° |
| C6 | C5 | C13 | 90.0° | 121.3° |
| C6 | C5 | C16 | 90.0° | 119.4° |
| C5 | C6 | C14 | 90.0° | 121.3° |
| C5 | C6 | C17 | 90.0° | 119.4° |
| C13 | C5 | C16 | 90.0° | 119.4° |
| C5 | C13 | C12 | 90.0° | 120.2° |
| C5 | C16 | H161 | 90.0° | 109.5° |
| C5 | C16 | H162 | 90.0° | 109.5° |
| C5 | C16 | H163 | 90.0° | 109.5° |
| C14 | C6 | C17 | 90.0° | 119.3° |
| C6 | C14 | C7 | 90.0° | 121.0° |
| C6 | C14 | C11 | 90.0° | 120.2° |
| C6 | C17 | H171 | 90.0° | 109.5° |
| C6 | C17 | H172 | 90.0° | 109.5° |
| C6 | C17 | H173 | 90.0° | 109.4° |
| C8 | C7 | C14 | 90.0° | 118.3° |
| C8 | C7 | H7 | 90.0° | 120.9° |
| C7 | C8 | C9 | 90.0° | 119.9° |
| C7 | C8 | C18 | 90.0° | 120.1° |
| C14 | C7 | H7 | 90.0° | 120.9° |
| C7 | C14 | C11 | 90.0° | 118.8° |
| C9 | C8 | C18 | 90.0° | 120.1° |
| C8 | C9 | N10 | 90.0° | 121.5° |
| C8 | C9 | H9 | 90.0° | 119.2° |
| C8 | C18 | H181 | 90.0° | 109.4° |
| C8 | C18 | H182 | 90.0° | 109.5° |
| C8 | C18 | H183 | 90.0° | 109.5° |
| N10 | C9 | H9 | 90.0° | 119.3° |
| C9 | N10 | C11 | 90.0° | 121.4° |
| C9 | N10 | C19 | 90.0° | 119.3° |
| C11 | N10 | C19 | 90.0° | 119.3° |
| N10 | C11 | C12 | 90.0° | 121.3° |
| N10 | C11 | C14 | 90.0° | 120.2° |
| N10 | C19 | H191 | 90.0° | 109.5° |
| N10 | C19 | H192 | 90.0° | 109.5° |
| N10 | C19 | H193 | 90.0° | 109.4° |
| C12 | C11 | C14 | 90.0° | 118.5° |
| C11 | C12 | C13 | 90.0° | 118.5° |
| H151 | C15 | H152 | 90.0° | 109.5° |
| H151 | C15 | H153 | 90.0° | 109.4° |
| H152 | C15 | H153 | 90.0° | 109.5° |
| H161 | C16 | H162 | 90.0° | 109.5° |
| H161 | C16 | H163 | 90.0° | 109.5° |
| H162 | C16 | H163 | 90.0° | 109.5° |
| H171 | C17 | H172 | 90.0° | 109.5° |
| H171 | C17 | H173 | 90.0° | 109.5° |
| H172 | C17 | H173 | 90.0° | 109.5° |
| H181 | C18 | H182 | 90.0° | 109.5° |
| H181 | C18 | H183 | 90.0° | 109.5° |
| H182 | C18 | H183 | 90.0° | 109.5° |
| H191 | C19 | H192 | 90.0° | 109.5° |
| H191 | C19 | H193 | 90.0° | 109.4° |
| H192 | C19 | H193 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H2 | 90.0° | 180.0° |
| N1 | C2 | C3 | C4 | 90.0° | 0.0° |
| N1 | C2 | C3 | C15 | 90.0° | 180.0° |
| C2 | N1 | C12 | C11 | 90.0° | 180.0° |
| C2 | N1 | C12 | C13 | 90.0° | 0.0° |
| C12 | N1 | C2 | C3 | 90.0° | 0.0° |
| C12 | N1 | C2 | H2 | 90.0° | 180.0° |
| N1 | C12 | C13 | C4 | 90.0° | 0.0° |
| N1 | C12 | C13 | C5 | 90.0° | 180.0° |
| N1 | C12 | C11 | N10 | 90.0° | 0.0° |
| N1 | C12 | C11 | C13 | 90.0° | 180.0° |
| N1 | C12 | C11 | C14 | 90.0° | 180.0° |
| C2 | C3 | C4 | C15 | 90.0° | 180.0° |
| C2 | C3 | C4 | C13 | 90.0° | 0.0° |
| C2 | C3 | C4 | H4 | 90.0° | 180.0° |
| C2 | C3 | C15 | H151 | 90.0° | 90.0° |
| C2 | C3 | C15 | H152 | 90.0° | 150.0° |
| C2 | C3 | C15 | H153 | 90.0° | 30.0° |
| H2 | C2 | C3 | C4 | 90.0° | 180.0° |
| H2 | C2 | C3 | C15 | 90.0° | 0.0° |
| C3 | C4 | C13 | H4 | 90.0° | 180.0° |
| C3 | C4 | C13 | C5 | 90.0° | 180.0° |
| C3 | C4 | C13 | C12 | 90.0° | 0.0° |
| C4 | C3 | C15 | H151 | 90.0° | 90.1° |
| C4 | C3 | C15 | H152 | 90.0° | 30.0° |
| C4 | C3 | C15 | H153 | 90.0° | 150.0° |
| C15 | C3 | C4 | C13 | 90.0° | 180.0° |
| C15 | C3 | C4 | H4 | 90.0° | 0.0° |
| C3 | C15 | H151 | H152 | 90.0° | 120.1° |
| C3 | C15 | H151 | H153 | 90.0° | 119.9° |
| C3 | C15 | H152 | H153 | 90.0° | 120.0° |
| C4 | C13 | C5 | C6 | 90.0° | 180.0° |
| C4 | C13 | C5 | C12 | 90.0° | 180.0° |
| C4 | C13 | C5 | C16 | 90.0° | 0.0° |
| C4 | C13 | C12 | C11 | 90.0° | 180.0° |
| H4 | C4 | C13 | C5 | 90.0° | 0.0° |
| H4 | C4 | C13 | C12 | 90.0° | 180.0° |
| C6 | C5 | C13 | C16 | 90.0° | 180.0° |
| C5 | C6 | C14 | C17 | 90.0° | 180.0° |
| C5 | C6 | C14 | C7 | 90.0° | 180.0° |
| C5 | C6 | C14 | C11 | 90.0° | 0.0° |
| C6 | C5 | C13 | C12 | 90.0° | 0.0° |
| C6 | C5 | C16 | H161 | 90.0° | 90.0° |
| C6 | C5 | C16 | H162 | 90.0° | 150.0° |
| C6 | C5 | C16 | H163 | 90.0° | 30.0° |
| C5 | C6 | C17 | H171 | 90.0° | 90.0° |
| C5 | C6 | C17 | H172 | 90.0° | 150.0° |
| C5 | C6 | C17 | H173 | 90.0° | 30.0° |
| C13 | C5 | C6 | C14 | 90.0° | 0.0° |
| C13 | C5 | C6 | C17 | 90.0° | 180.0° |
| C5 | C13 | C12 | C11 | 90.0° | 0.0° |
| C13 | C5 | C16 | H161 | 90.0° | 90.0° |
| C13 | C5 | C16 | H162 | 90.0° | 30.0° |
| C13 | C5 | C16 | H163 | 90.0° | 150.0° |
| C16 | C5 | C6 | C14 | 90.0° | 180.0° |
| C16 | C5 | C6 | C17 | 90.0° | 0.0° |
| C16 | C5 | C13 | C12 | 90.0° | 180.0° |
| C5 | C16 | H161 | H162 | 90.0° | 120.0° |
| C5 | C16 | H161 | H163 | 90.0° | 120.0° |
| C5 | C16 | H162 | H163 | 90.0° | 120.0° |
| C6 | C14 | C7 | C8 | 90.0° | 180.0° |
| C6 | C14 | C7 | C11 | 90.0° | 180.0° |
| C6 | C14 | C7 | H7 | 90.0° | 0.0° |
| C6 | C14 | C11 | N10 | 90.0° | 180.0° |
| C6 | C14 | C11 | C12 | 90.0° | 0.0° |
| C14 | C6 | C17 | H171 | 90.0° | 90.0° |
| C14 | C6 | C17 | H172 | 90.0° | 30.0° |
| C14 | C6 | C17 | H173 | 90.0° | 150.0° |
| C17 | C6 | C14 | C7 | 90.0° | 0.0° |
| C17 | C6 | C14 | C11 | 90.0° | 180.0° |
| C6 | C17 | H171 | H172 | 90.0° | 120.0° |
| C6 | C17 | H171 | H173 | 90.0° | 120.0° |
| C6 | C17 | H172 | H173 | 90.0° | 120.0° |
| C8 | C7 | C14 | H7 | 90.0° | 180.0° |
| C7 | C8 | C9 | C18 | 90.0° | 180.0° |
| C7 | C8 | C9 | N10 | 90.0° | 0.0° |
| C7 | C8 | C9 | H9 | 90.0° | 180.0° |
| C8 | C7 | C14 | C11 | 90.0° | 0.0° |
| C7 | C8 | C18 | H181 | 90.0° | 90.0° |
| C7 | C8 | C18 | H182 | 90.0° | 150.0° |
| C7 | C8 | C18 | H183 | 90.0° | 30.0° |
| C14 | C7 | C8 | C9 | 90.0° | 0.0° |
| C14 | C7 | C8 | C18 | 90.0° | 180.0° |
| C7 | C14 | C11 | N10 | 90.0° | 0.0° |
| C7 | C14 | C11 | C12 | 90.0° | 180.0° |
| H7 | C7 | C8 | C9 | 90.0° | 180.0° |
| H7 | C7 | C8 | C18 | 90.0° | 0.0° |
| H7 | C7 | C14 | C11 | 90.0° | 180.0° |
| C8 | C9 | N10 | H9 | 90.0° | 180.0° |
| C8 | C9 | N10 | C11 | 90.0° | 0.0° |
| C8 | C9 | N10 | C19 | 90.0° | 180.0° |
| C9 | C8 | C18 | H181 | 90.0° | 90.0° |
| C9 | C8 | C18 | H182 | 90.0° | 29.9° |
| C9 | C8 | C18 | H183 | 90.0° | 150.0° |
| C18 | C8 | C9 | N10 | 90.0° | 180.0° |
| C18 | C8 | C9 | H9 | 90.0° | 0.0° |
| C8 | C18 | H181 | H182 | 90.0° | 120.0° |
| C8 | C18 | H181 | H183 | 90.0° | 120.0° |
| C8 | C18 | H182 | H183 | 90.0° | 120.0° |
| C9 | N10 | C11 | C19 | 90.0° | 180.0° |
| C9 | N10 | C11 | C12 | 90.0° | 180.0° |
| C9 | N10 | C11 | C14 | 90.0° | 0.0° |
| C9 | N10 | C19 | H191 | 90.0° | 97.7° |
| C9 | N10 | C19 | H192 | 90.0° | 142.2° |
| C9 | N10 | C19 | H193 | 90.0° | 22.3° |
| H9 | C9 | N10 | C11 | 90.0° | 180.0° |
| H9 | C9 | N10 | C19 | 90.0° | 0.0° |
| N10 | C11 | C12 | C14 | 90.0° | 180.0° |
| N10 | C11 | C12 | C13 | 90.0° | 180.0° |
| C11 | N10 | C19 | H191 | 90.0° | 82.3° |
| C11 | N10 | C19 | H192 | 90.0° | 37.8° |
| C11 | N10 | C19 | H193 | 90.0° | 157.8° |
| C19 | N10 | C11 | C12 | 90.0° | 0.0° |
| C19 | N10 | C11 | C14 | 90.0° | 180.0° |
| N10 | C19 | H191 | H192 | 90.0° | 120.1° |
| N10 | C19 | H191 | H193 | 90.0° | 120.0° |
| N10 | C19 | H192 | H193 | 90.0° | 119.9° |
| C14 | C11 | C12 | C13 | 90.0° | 0.0° |
| H151 | C15 | H152 | H153 | 90.0° | 119.9° |
| H161 | C16 | H162 | H163 | 90.0° | 120.0° |
| H171 | C17 | H172 | H173 | 90.0° | 120.0° |
| H181 | C18 | H182 | H183 | 90.0° | 120.0° |
| H191 | C19 | H192 | H193 | 90.0° | 120.0° |
