6NM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N19 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | N19 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | N14 | doub | 1.31Å | 1.36Å | Aromatic |
| C3 | C11 | sing | 1.48Å | 1.45Å | |
| C16 | C12 | sing | 1.48Å | 1.45Å | |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.49Å | |
| C11 | N15 | sing | 1.36Å | 1.34Å | Aromatic |
| C7 | F8 | sing | 1.40Å | 1.36Å | |
| C7 | F9 | sing | 1.40Å | 1.36Å | |
| C7 | F10 | sing | 1.40Å | 1.36Å | |
| N15 | N14 | sing | 1.40Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.5° | 120.2° |
| C1 | C2 | C3 | 120.2° | 119.8° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C1 | C2 | H2 | 119.9° | 120.1° |
| C1 | C6 | C5 | 119.6° | 120.3° |
| C6 | C1 | H1 | 119.7° | 119.9° |
| C1 | C6 | H6 | 120.2° | 119.8° |
| C2 | C3 | C4 | 118.7° | 119.7° |
| C2 | C3 | C11 | 121.6° | 120.1° |
| C3 | C2 | H2 | 119.9° | 120.1° |
| C6 | C5 | C4 | 119.6° | 120.2° |
| C6 | C5 | C7 | 122.4° | 119.9° |
| C5 | C6 | H6 | 120.2° | 119.9° |
| C18 | C17 | C16 | 118.0° | 119.0° |
| C17 | C18 | N19 | 124.8° | 120.8° |
| C18 | C17 | H17 | 121.0° | 120.4° |
| C17 | C18 | H18 | 117.6° | 119.6° |
| C17 | C16 | C21 | 118.8° | 118.2° |
| C17 | C16 | C12 | 121.3° | 120.9° |
| C16 | C17 | H17 | 121.0° | 120.5° |
| C20 | C21 | C16 | 118.9° | 119.0° |
| C21 | C20 | N19 | 123.7° | 120.9° |
| C20 | C21 | H21 | 120.5° | 120.5° |
| C21 | C20 | H20 | 118.2° | 119.5° |
| C21 | C16 | C12 | 119.9° | 120.9° |
| C16 | C21 | H21 | 120.6° | 120.5° |
| C3 | C4 | C5 | 121.3° | 119.8° |
| C4 | C3 | C11 | 119.6° | 120.2° |
| C3 | C4 | H4 | 119.4° | 120.1° |
| C4 | C5 | C7 | 118.0° | 119.9° |
| C5 | C4 | H4 | 119.4° | 120.1° |
| C18 | N19 | C20 | 115.9° | 122.1° |
| N19 | C18 | H18 | 117.6° | 119.6° |
| N19 | C20 | H20 | 118.2° | 119.6° |
| C12 | C13 | N14 | 106.1° | 108.5° |
| C13 | C12 | C16 | 121.5° | 126.4° |
| C13 | C12 | C11 | 105.1° | 107.3° |
| C12 | C13 | H13 | 127.0° | 125.8° |
| C13 | N14 | N15 | 113.3° | 109.1° |
| N14 | C13 | H13 | 127.0° | 125.8° |
| C3 | C11 | C12 | 129.9° | 126.5° |
| C3 | C11 | N15 | 119.6° | 126.5° |
| C16 | C12 | C11 | 133.5° | 126.3° |
| C12 | C11 | N15 | 110.5° | 107.0° |
| C5 | C7 | F8 | 115.2° | 109.5° |
| C5 | C7 | F9 | 112.8° | 109.5° |
| C5 | C7 | F10 | 110.6° | 109.5° |
| C11 | N15 | N14 | 105.1° | 108.1° |
| C11 | N15 | H15 | 127.5° | 125.9° |
| F8 | C7 | F9 | 105.3° | 109.5° |
| F8 | C7 | F10 | 106.2° | 109.5° |
| F9 | C7 | F10 | 106.1° | 109.4° |
| N14 | N15 | H15 | 127.5° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.0° |
| C1 | C2 | C3 | C4 | 1.4° | 0.1° |
| C1 | C2 | C3 | C11 | 178.8° | 179.9° |
| C2 | C1 | C6 | H6 | 179.6° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C1 | C6 | C5 | C7 | 179.2° | 180.0° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C2 | C3 | C4 | C11 | 177.4° | 180.0° |
| C2 | C3 | C4 | C5 | 2.1° | 0.0° |
| C2 | C3 | C11 | C12 | 143.2° | 133.1° |
| C2 | C3 | C11 | N15 | 39.6° | 46.9° |
| C3 | C2 | C1 | H1 | 179.8° | 179.7° |
| C2 | C3 | C4 | H4 | 177.9° | 180.0° |
| C6 | C5 | C4 | C3 | 1.5° | 0.0° |
| C6 | C5 | C4 | C7 | 179.0° | 180.0° |
| C6 | C5 | C7 | F8 | 24.9° | 0.0° |
| C6 | C5 | C7 | F9 | 96.1° | 120.0° |
| C6 | C5 | C7 | F10 | 145.3° | 120.1° |
| C5 | C6 | C1 | H1 | 179.6° | 179.7° |
| C6 | C5 | C4 | H4 | 178.5° | 179.9° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C18 | C17 | C16 | C21 | 0.3° | 0.0° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C16 | C12 | 179.3° | 180.0° |
| C17 | C16 | C21 | C20 | 0.6° | 0.0° |
| C17 | C16 | C21 | C12 | 179.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.2° | 0.0° |
| C17 | C16 | C12 | C13 | 141.4° | 55.6° |
| C17 | C16 | C12 | C11 | 40.7° | 124.5° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C16 | C21 | H21 | 179.4° | 180.0° |
| C20 | C21 | C16 | H21 | 180.0° | 180.0° |
| C21 | C20 | N19 | C18 | 0.0° | 0.1° |
| C21 | C20 | N19 | H20 | 180.0° | 180.0° |
| C20 | C21 | C16 | C12 | 179.6° | 180.0° |
| C16 | C21 | C20 | N19 | 0.5° | 0.1° |
| C21 | C16 | C12 | C13 | 37.5° | 124.4° |
| C21 | C16 | C12 | C11 | 140.4° | 55.6° |
| C21 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C21 | C20 | H20 | 179.5° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C11 | C12 | 39.4° | 46.9° |
| C3 | C4 | C5 | C7 | 179.5° | 180.0° |
| C4 | C3 | C11 | N15 | 137.7° | 133.1° |
| C4 | C3 | C2 | H2 | 178.6° | 180.0° |
| C5 | C4 | C3 | C11 | 179.5° | 180.0° |
| C4 | C5 | C7 | F8 | 156.1° | 180.0° |
| C4 | C5 | C7 | F9 | 82.9° | 60.0° |
| C4 | C5 | C7 | F10 | 35.7° | 60.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| N19 | C18 | C17 | H17 | 179.8° | 179.7° |
| C18 | N19 | C20 | H20 | 180.0° | 180.0° |
| C20 | N19 | C18 | H18 | 179.7° | 179.9° |
| N19 | C20 | C21 | H21 | 179.5° | 179.9° |
| C12 | C13 | N14 | H13 | 180.0° | 179.7° |
| C13 | C12 | C11 | C3 | 177.2° | 180.0° |
| C13 | C12 | C16 | C11 | 177.9° | 179.9° |
| C13 | C12 | C11 | N15 | 0.2° | 0.0° |
| C12 | C13 | N14 | N15 | 1.9° | 0.0° |
| N14 | C13 | C12 | C16 | 179.6° | 179.9° |
| N14 | C13 | C12 | C11 | 1.2° | 0.0° |
| C13 | N14 | N15 | C11 | 1.8° | 0.0° |
| C13 | N14 | N15 | H15 | 178.2° | 180.0° |
| C3 | C11 | C12 | C16 | 0.9° | 0.1° |
| C3 | C11 | C12 | N15 | 177.4° | 179.9° |
| C3 | C11 | N15 | N14 | 178.7° | 180.0° |
| C11 | C3 | C2 | H2 | 1.2° | 0.0° |
| C11 | C3 | C4 | H4 | 0.5° | 0.0° |
| C3 | C11 | N15 | H15 | 1.4° | 0.0° |
| C16 | C12 | C11 | N15 | 178.3° | 180.0° |
| C12 | C16 | C17 | H17 | 0.7° | 0.3° |
| C12 | C16 | C21 | H21 | 0.4° | 0.0° |
| C16 | C12 | C13 | H13 | 0.4° | 0.2° |
| C12 | C11 | N15 | N14 | 1.0° | 0.0° |
| C11 | C12 | C13 | H13 | 178.8° | 179.7° |
| C12 | C11 | N15 | H15 | 179.1° | 180.0° |
| C5 | C7 | F8 | F9 | 125.0° | 120.0° |
| C5 | C7 | F8 | F10 | 122.8° | 120.0° |
| C5 | C7 | F9 | F10 | 121.2° | 120.0° |
| C7 | C5 | C6 | H6 | 0.8° | 0.1° |
| C7 | C5 | C4 | H4 | 0.5° | 0.0° |
| C11 | N15 | N14 | H15 | 180.0° | 180.0° |
| F8 | C7 | F9 | F10 | 112.4° | 120.0° |
| N15 | N14 | C13 | H13 | 178.1° | 179.7° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H1 | C1 | C6 | H6 | 0.4° | 0.2° |
| H17 | C17 | C18 | H18 | 0.1° | 0.2° |
| H21 | C21 | C20 | H20 | 0.5° | 0.0° |
