6P4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | N11 | sing | 1.40Å | 1.38Å | Aromatic |
| N16 | C15 | doub | 1.31Å | 1.38Å | Aromatic |
| N11 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C2 | sing | 1.47Å | 1.43Å | |
| C12 | C6 | sing | 1.51Å | 1.48Å | |
| C2 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | N7 | sing | 1.33Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
| N7 | C3 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | C14 | sing | 1.51Å | 1.51Å | |
| C9 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C8 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| N11 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | N16 | C15 | 113.1° | 108.8° |
| N16 | N11 | C5 | 104.3° | 107.8° |
| N16 | N11 | H6 | 127.8° | 126.1° |
| N16 | C15 | C10 | 106.0° | 108.7° |
| N16 | C15 | H3 | 127.0° | 125.6° |
| N11 | C5 | C10 | 110.4° | 107.1° |
| N11 | C5 | C2 | 123.3° | 126.5° |
| C5 | N11 | H6 | 127.8° | 126.1° |
| C15 | C10 | C5 | 106.2° | 107.6° |
| C15 | C10 | H1 | 126.9° | 126.1° |
| C10 | C15 | H3 | 127.0° | 125.7° |
| C10 | C5 | C2 | 126.2° | 126.5° |
| C5 | C10 | H1 | 126.9° | 126.2° |
| C5 | C2 | C6 | 129.6° | 126.6° |
| C5 | C2 | N1 | 124.4° | 126.7° |
| C12 | C6 | C2 | 126.9° | 125.9° |
| C12 | C6 | N7 | 122.5° | 125.8° |
| C6 | C12 | H7 | 109.5° | 109.5° |
| C6 | C12 | H8 | 109.4° | 109.5° |
| C6 | C12 | H9 | 109.5° | 109.5° |
| C6 | C2 | N1 | 106.0° | 106.6° |
| C2 | C6 | N7 | 110.6° | 108.3° |
| C2 | N1 | C4 | 131.9° | 132.5° |
| C2 | N1 | C3 | 106.6° | 107.0° |
| C6 | N7 | C3 | 106.1° | 109.6° |
| C4 | N1 | C3 | 121.5° | 120.5° |
| N1 | C4 | C9 | 118.9° | 120.6° |
| N1 | C4 | H4 | 120.5° | 119.7° |
| N1 | C3 | N7 | 110.7° | 108.5° |
| N1 | C3 | C8 | 118.8° | 119.6° |
| N7 | C3 | C8 | 130.5° | 131.9° |
| C4 | C9 | C14 | 121.0° | 119.9° |
| C4 | C9 | C13 | 120.6° | 120.2° |
| C9 | C4 | H4 | 120.5° | 119.7° |
| C3 | C8 | C13 | 119.6° | 119.4° |
| C3 | C8 | H5 | 120.2° | 120.3° |
| C14 | C9 | C13 | 118.5° | 119.9° |
| C9 | C14 | H10 | 109.5° | 109.5° |
| C9 | C14 | H11 | 109.5° | 109.4° |
| C9 | C14 | H12 | 109.5° | 109.4° |
| C9 | C13 | C8 | 120.5° | 119.7° |
| C9 | C13 | H2 | 119.8° | 120.1° |
| C8 | C13 | H2 | 119.7° | 120.2° |
| C13 | C8 | H5 | 120.2° | 120.3° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H7 | C12 | H9 | 109.4° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | N11 | C5 | H6 | 180.0° | 179.8° |
| N11 | N16 | C15 | C10 | 0.5° | 0.1° |
| N16 | N11 | C5 | C10 | 0.8° | 0.2° |
| N16 | N11 | C5 | C2 | 178.6° | 179.9° |
| N11 | N16 | C15 | H3 | 179.5° | 179.8° |
| C15 | N16 | N11 | C5 | 0.2° | 0.0° |
| N16 | C15 | C10 | H3 | 180.0° | 179.9° |
| N16 | C15 | C10 | C5 | 1.0° | 0.3° |
| N16 | C15 | C10 | H1 | 179.0° | 180.0° |
| C15 | N16 | N11 | H6 | 179.8° | 179.8° |
| N11 | C5 | C10 | C15 | 1.2° | 0.3° |
| N11 | C5 | C10 | C2 | 177.7° | 179.9° |
| N11 | C5 | C2 | C6 | 36.2° | 45.1° |
| N11 | C5 | C2 | N1 | 146.4° | 135.4° |
| N11 | C5 | C10 | H1 | 178.9° | 180.0° |
| C15 | C10 | C5 | H1 | 180.0° | 179.7° |
| C15 | C10 | C5 | C2 | 178.8° | 179.8° |
| C10 | C5 | C2 | C6 | 141.2° | 135.0° |
| C10 | C5 | C2 | N1 | 36.2° | 44.5° |
| C5 | C10 | C15 | H3 | 179.0° | 179.7° |
| C10 | C5 | N11 | H6 | 179.2° | 180.0° |
| C5 | C2 | C6 | C12 | 2.3° | 0.5° |
| C5 | C2 | C6 | N1 | 177.8° | 179.6° |
| C5 | C2 | C6 | N7 | 177.9° | 180.0° |
| C5 | C2 | N1 | C4 | 2.0° | 0.3° |
| C5 | C2 | N1 | C3 | 178.2° | 180.0° |
| C2 | C5 | C10 | H1 | 1.2° | 0.1° |
| C2 | C5 | N11 | H6 | 1.4° | 0.1° |
| C12 | C6 | C2 | N7 | 179.7° | 179.5° |
| C12 | C6 | C2 | N1 | 179.9° | 179.9° |
| C12 | C6 | N7 | C3 | 179.7° | 179.8° |
| C6 | C12 | H7 | H8 | 120.0° | 120.1° |
| C6 | C12 | H7 | H9 | 120.0° | 120.0° |
| C6 | C12 | H8 | H9 | 120.0° | 120.1° |
| C6 | C2 | N1 | C4 | 179.9° | 179.8° |
| C6 | C2 | N1 | C3 | 0.3° | 0.4° |
| C2 | C6 | N7 | C3 | 0.0° | 0.2° |
| C2 | C6 | C12 | H7 | 179.7° | 90.0° |
| C2 | C6 | C12 | H8 | 59.7° | 149.9° |
| C2 | C6 | C12 | H9 | 60.3° | 30.0° |
| N1 | C2 | C6 | N7 | 0.2° | 0.4° |
| C2 | N1 | C4 | C3 | 179.8° | 179.7° |
| C2 | N1 | C3 | N7 | 0.4° | 0.3° |
| C2 | N1 | C4 | C9 | 179.6° | 180.0° |
| C2 | N1 | C3 | C8 | 179.2° | 179.9° |
| C2 | N1 | C4 | H4 | 0.4° | 0.2° |
| C6 | N7 | C3 | N1 | 0.2° | 0.0° |
| C6 | N7 | C3 | C8 | 179.3° | 179.6° |
| N7 | C6 | C12 | H7 | 0.0° | 90.5° |
| N7 | C6 | C12 | H8 | 120.0° | 29.5° |
| N7 | C6 | C12 | H9 | 120.0° | 149.5° |
| C4 | N1 | C3 | N7 | 179.8° | 179.9° |
| N1 | C4 | C9 | H4 | 180.0° | 179.7° |
| C4 | N1 | C3 | C8 | 0.6° | 0.3° |
| N1 | C4 | C9 | C14 | 179.9° | 180.0° |
| N1 | C4 | C9 | C13 | 0.1° | 0.0° |
| N1 | C3 | N7 | C8 | 179.5° | 179.6° |
| C3 | N1 | C4 | C9 | 0.2° | 0.3° |
| N1 | C3 | C8 | C13 | 1.0° | 0.0° |
| C3 | N1 | C4 | H4 | 179.8° | 180.0° |
| N1 | C3 | C8 | H5 | 179.0° | 180.0° |
| N7 | C3 | C8 | C13 | 179.5° | 179.5° |
| N7 | C3 | C8 | H5 | 0.4° | 0.4° |
| C4 | C9 | C14 | C13 | 179.9° | 180.0° |
| C4 | C9 | C13 | C8 | 0.5° | 0.3° |
| C4 | C9 | C13 | H2 | 179.5° | 180.0° |
| C4 | C9 | C14 | H10 | 90.0° | 90.0° |
| C4 | C9 | C14 | H11 | 150.0° | 150.0° |
| C4 | C9 | C14 | H12 | 30.1° | 30.0° |
| C3 | C8 | C13 | C9 | 0.9° | 0.3° |
| C3 | C8 | C13 | H5 | 180.0° | 180.0° |
| C3 | C8 | C13 | H2 | 179.1° | 180.0° |
| C14 | C9 | C13 | C8 | 179.5° | 179.7° |
| C14 | C9 | C13 | H2 | 0.5° | 0.0° |
| C14 | C9 | C4 | H4 | 0.2° | 0.3° |
| C9 | C14 | H10 | H11 | 120.0° | 120.0° |
| C9 | C14 | H10 | H12 | 120.0° | 120.0° |
| C9 | C14 | H11 | H12 | 120.0° | 119.9° |
| C9 | C13 | C8 | H2 | 180.0° | 179.7° |
| C13 | C9 | C4 | H4 | 179.9° | 179.7° |
| C9 | C13 | C8 | H5 | 179.1° | 179.7° |
| C13 | C9 | C14 | H10 | 89.9° | 90.0° |
| C13 | C9 | C14 | H11 | 30.0° | 30.0° |
| C13 | C9 | C14 | H12 | 150.0° | 150.0° |
| H1 | C10 | C15 | H3 | 1.0° | 0.0° |
| H2 | C13 | C8 | H5 | 0.9° | 0.0° |
| H7 | C12 | H8 | H9 | 120.0° | 119.9° |
| H10 | C14 | H11 | H12 | 120.0° | 120.1° |
