09Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C14 | sing | 1.48Å | 1.48Å | |
| N2 | C15 | sing | 1.48Å | 1.48Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.55Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | N1 | sing | 1.48Å | 1.48Å | |
| C12 | N1 | sing | 1.40Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | C11 | sing | 1.40Å | 1.37Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | C9 | sing | 1.48Å | 1.47Å | |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | N2 | C15 | 115.9° | 113.8° |
| N2 | C14 | C13 | 111.7° | 112.9° |
| N2 | C14 | H13 | 108.7° | 108.8° |
| N2 | C14 | H14 | 108.7° | 108.7° |
| C14 | N2 | H19 | 107.4° | 111.0° |
| N2 | C15 | C16 | 114.1° | 111.9° |
| N2 | C15 | H15 | 107.9° | 109.0° |
| N2 | C15 | H16 | 107.9° | 108.9° |
| C15 | N2 | H19 | 107.4° | 111.0° |
| C14 | C13 | C12 | 112.6° | 108.9° |
| C14 | C13 | H11 | 108.4° | 109.6° |
| C14 | C13 | H12 | 108.5° | 109.6° |
| C13 | C14 | H13 | 108.7° | 108.8° |
| C13 | C14 | H14 | 108.8° | 108.8° |
| C13 | C12 | N1 | 111.6° | 111.5° |
| C13 | C12 | H9 | 108.8° | 109.1° |
| C13 | C12 | H10 | 108.8° | 109.0° |
| C12 | C13 | H11 | 108.4° | 109.6° |
| C12 | C13 | H12 | 108.4° | 109.6° |
| C15 | C16 | N1 | 113.4° | 108.1° |
| C16 | C15 | H15 | 108.0° | 109.0° |
| C16 | C15 | H16 | 108.0° | 109.0° |
| C15 | C16 | H17 | 108.2° | 109.7° |
| C15 | C16 | H18 | 108.2° | 109.8° |
| C2 | C3 | C4 | 119.4° | 120.2° |
| C3 | C2 | C1 | 121.4° | 119.8° |
| C3 | C2 | H1 | 119.3° | 120.1° |
| C2 | C3 | H2 | 120.3° | 119.9° |
| C3 | C4 | C5 | 119.8° | 120.2° |
| C4 | C3 | H2 | 120.3° | 119.9° |
| C3 | C4 | H3 | 120.1° | 119.9° |
| C2 | C1 | C9 | 119.2° | 120.1° |
| C2 | C1 | C6 | 118.6° | 119.7° |
| C1 | C2 | H1 | 119.3° | 120.1° |
| C16 | N1 | C12 | 112.1° | 114.5° |
| C16 | N1 | C11 | 125.4° | 111.0° |
| N1 | C16 | H17 | 108.2° | 109.7° |
| N1 | C16 | H18 | 108.2° | 109.7° |
| C12 | N1 | C11 | 122.5° | 111.0° |
| N1 | C12 | H9 | 108.8° | 109.1° |
| N1 | C12 | H10 | 108.8° | 109.1° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C5 | C4 | H3 | 120.1° | 119.9° |
| C4 | C5 | H4 | 119.6° | 120.0° |
| N1 | C11 | C10 | 119.4° | 120.5° |
| N1 | C11 | C7 | 125.4° | 120.5° |
| C11 | C10 | C9 | 121.9° | 118.3° |
| C10 | C11 | C7 | 115.2° | 119.1° |
| C11 | C10 | H8 | 119.0° | 120.8° |
| C10 | C9 | C1 | 116.9° | 120.5° |
| C10 | C9 | C8 | 117.2° | 119.0° |
| C9 | C10 | H8 | 119.0° | 120.9° |
| C11 | C7 | N3 | 124.7° | 120.9° |
| C11 | C7 | H6 | 117.7° | 119.5° |
| C9 | C1 | C6 | 122.0° | 120.2° |
| C1 | C9 | C8 | 125.5° | 120.4° |
| C1 | C6 | C5 | 120.0° | 119.9° |
| C1 | C6 | H5 | 120.0° | 120.0° |
| C9 | C8 | N3 | 123.0° | 120.7° |
| C9 | C8 | H7 | 118.5° | 119.6° |
| C7 | N3 | C8 | 117.9° | 122.0° |
| N3 | C7 | H6 | 117.6° | 119.6° |
| C6 | C5 | H4 | 119.6° | 119.9° |
| C5 | C6 | H5 | 120.0° | 120.1° |
| N3 | C8 | H7 | 118.5° | 119.7° |
| H9 | C12 | H10 | 110.1° | 109.1° |
| H11 | C13 | H12 | 110.5° | 109.6° |
| H13 | C14 | H14 | 110.2° | 108.7° |
| H15 | C15 | H16 | 111.0° | 109.0° |
| H17 | C16 | H18 | 110.7° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | N2 | C15 | H19 | 120.0° | 126.1° |
| N2 | C14 | C13 | H13 | 120.0° | 120.9° |
| N2 | C14 | C13 | H14 | 120.0° | 120.7° |
| N2 | C14 | C13 | C12 | 51.9° | 92.7° |
| C14 | N2 | C15 | C16 | 92.8° | 41.1° |
| N2 | C14 | C13 | H11 | 68.1° | 27.2° |
| N2 | C14 | C13 | H12 | 171.9° | 147.4° |
| N2 | C14 | H13 | H14 | 119.0° | 118.2° |
| C14 | N2 | C15 | H15 | 27.2° | 161.8° |
| C14 | N2 | C15 | H16 | 147.3° | 79.4° |
| C15 | N2 | C14 | C13 | 63.9° | 41.7° |
| N2 | C15 | C16 | H15 | 120.0° | 120.6° |
| N2 | C15 | C16 | H16 | 120.0° | 120.5° |
| N2 | C15 | C16 | N1 | 54.8° | 94.6° |
| C15 | N2 | C14 | H13 | 176.1° | 162.6° |
| C15 | N2 | C14 | H14 | 56.1° | 79.1° |
| N2 | C15 | H15 | H16 | 118.1° | 118.8° |
| N2 | C15 | C16 | H17 | 174.8° | 145.8° |
| N2 | C15 | C16 | H18 | 65.2° | 25.1° |
| C14 | C13 | C12 | H11 | 120.0° | 119.9° |
| C14 | C13 | C12 | H12 | 120.0° | 119.9° |
| C14 | C13 | C12 | N1 | 85.3° | 76.0° |
| C14 | C13 | C12 | H9 | 154.7° | 44.5° |
| C14 | C13 | C12 | H10 | 34.8° | 163.5° |
| C14 | C13 | H11 | H12 | 118.7° | 120.3° |
| C13 | C14 | H13 | H14 | 119.1° | 118.4° |
| C13 | C14 | N2 | H19 | 176.1° | 84.4° |
| C13 | C12 | N1 | C16 | 91.7° | 61.4° |
| C13 | C12 | N1 | H9 | 120.0° | 120.5° |
| C13 | C12 | N1 | H10 | 120.0° | 120.4° |
| C13 | C12 | N1 | C11 | 89.7° | 171.9° |
| C13 | C12 | H9 | H10 | 119.1° | 119.0° |
| C12 | C13 | H11 | H12 | 118.7° | 120.2° |
| C12 | C13 | C14 | H13 | 171.9° | 146.4° |
| C12 | C13 | C14 | H14 | 68.1° | 28.1° |
| C15 | C16 | N1 | H17 | 120.0° | 119.6° |
| C15 | C16 | N1 | H18 | 120.0° | 119.7° |
| C15 | C16 | N1 | C12 | 25.1° | 81.3° |
| C15 | C16 | N1 | C11 | 156.4° | 152.0° |
| C16 | C15 | H15 | H16 | 118.1° | 118.9° |
| C15 | C16 | H17 | H18 | 118.4° | 120.7° |
| C16 | C15 | N2 | H19 | 147.2° | 167.2° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | C9 | 176.7° | 180.0° |
| C3 | C2 | C1 | C6 | 1.6° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C4 | C3 | C2 | H1 | 179.3° | 179.9° |
| C3 | C4 | C5 | H4 | 179.9° | 179.9° |
| C2 | C1 | C9 | C10 | 81.1° | 0.2° |
| C2 | C1 | C9 | C6 | 174.9° | 179.7° |
| C2 | C1 | C9 | C8 | 92.3° | 179.7° |
| C2 | C1 | C6 | C5 | 1.7° | 0.6° |
| C1 | C2 | C3 | H2 | 179.3° | 179.9° |
| C2 | C1 | C6 | H5 | 178.3° | 179.7° |
| C16 | N1 | C12 | C11 | 178.6° | 126.7° |
| C16 | N1 | C11 | C10 | 158.6° | 51.4° |
| C16 | N1 | C11 | C7 | 23.9° | 128.7° |
| C16 | N1 | C12 | H9 | 148.3° | 59.1° |
| C16 | N1 | C12 | H10 | 28.3° | 178.1° |
| N1 | C16 | C15 | H15 | 65.2° | 144.7° |
| N1 | C16 | C15 | H16 | 174.8° | 25.9° |
| N1 | C16 | H17 | H18 | 118.4° | 120.6° |
| C12 | N1 | C11 | C10 | 23.0° | 180.0° |
| C12 | N1 | C11 | C7 | 154.5° | 0.0° |
| N1 | C12 | H9 | H10 | 119.1° | 119.0° |
| N1 | C12 | C13 | H11 | 34.7° | 43.8° |
| N1 | C12 | C13 | H12 | 154.7° | 164.0° |
| C12 | N1 | C16 | H17 | 94.9° | 159.1° |
| C12 | N1 | C16 | H18 | 145.1° | 38.4° |
| C4 | C5 | C6 | C1 | 1.0° | 0.6° |
| C4 | C5 | C6 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 179.1° | 179.7° |
| N1 | C11 | C10 | C7 | 177.7° | 179.9° |
| N1 | C11 | C10 | C9 | 175.5° | 179.5° |
| N1 | C11 | C7 | N3 | 177.0° | 180.0° |
| N1 | C11 | C7 | H6 | 3.0° | 0.3° |
| N1 | C11 | C10 | H8 | 4.5° | 0.1° |
| C11 | N1 | C12 | H9 | 30.3° | 67.6° |
| C11 | N1 | C12 | H10 | 150.2° | 51.4° |
| C11 | N1 | C16 | H17 | 83.6° | 32.4° |
| C11 | N1 | C16 | H18 | 36.4° | 88.3° |
| C11 | C10 | C9 | H8 | 180.0° | 179.6° |
| C11 | C10 | C9 | C1 | 177.7° | 179.8° |
| C11 | C10 | C9 | C8 | 3.8° | 0.7° |
| C10 | C11 | C7 | N3 | 0.6° | 0.1° |
| C10 | C11 | C7 | H6 | 179.4° | 179.7° |
| C9 | C10 | C11 | C7 | 2.2° | 0.4° |
| C10 | C9 | C1 | C8 | 173.4° | 179.5° |
| C10 | C9 | C1 | C6 | 93.8° | 179.5° |
| C10 | C9 | C8 | N3 | 3.9° | 0.4° |
| C10 | C9 | C8 | H7 | 176.1° | 179.5° |
| C11 | C7 | N3 | H6 | 180.0° | 179.6° |
| C11 | C7 | N3 | C8 | 0.6° | 0.3° |
| C7 | C11 | C10 | H8 | 177.8° | 180.0° |
| C9 | C1 | C6 | C5 | 176.6° | 179.7° |
| C1 | C9 | C8 | N3 | 177.2° | 180.0° |
| C9 | C1 | C2 | H1 | 3.4° | 0.1° |
| C9 | C1 | C6 | H5 | 3.4° | 0.0° |
| C1 | C9 | C8 | H7 | 2.8° | 0.1° |
| C1 | C9 | C10 | H8 | 2.3° | 0.2° |
| C6 | C1 | C9 | C8 | 92.9° | 0.0° |
| C1 | C6 | C5 | H5 | 180.0° | 179.6° |
| C6 | C1 | C2 | H1 | 178.4° | 179.8° |
| C1 | C6 | C5 | H4 | 179.0° | 179.6° |
| C9 | C8 | N3 | C7 | 2.3° | 0.1° |
| C9 | C8 | N3 | H7 | 180.0° | 179.9° |
| C8 | C9 | C10 | H8 | 176.2° | 179.7° |
| C7 | N3 | C8 | H7 | 177.7° | 180.0° |
| C6 | C5 | C4 | H3 | 179.9° | 179.7° |
| C8 | N3 | C7 | H6 | 179.3° | 180.0° |
| H1 | C2 | C3 | H2 | 0.7° | 0.0° |
| H2 | C3 | C4 | H3 | 0.0° | 0.1° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| H4 | C5 | C6 | H5 | 0.9° | 0.0° |
| H9 | C12 | C13 | H11 | 85.3° | 164.3° |
| H9 | C12 | C13 | H12 | 34.7° | 75.5° |
| H10 | C12 | C13 | H11 | 154.8° | 76.7° |
| H10 | C12 | C13 | H12 | 85.2° | 43.6° |
| H11 | C13 | C14 | H13 | 51.9° | 93.7° |
| H11 | C13 | C14 | H14 | 171.9° | 147.9° |
| H12 | C13 | C14 | H13 | 68.1° | 26.5° |
| H12 | C13 | C14 | H14 | 51.9° | 91.8° |
| H13 | C14 | N2 | H19 | 56.1° | 36.6° |
| H14 | C14 | N2 | H19 | 63.9° | 154.8° |
| H15 | C15 | C16 | H17 | 54.9° | 25.1° |
| H15 | C15 | C16 | H18 | 174.8° | 95.6° |
| H15 | C15 | N2 | H19 | 92.8° | 72.1° |
| H16 | C15 | C16 | H17 | 65.2° | 93.7° |
| H16 | C15 | C16 | H18 | 54.8° | 145.6° |
| H16 | C15 | N2 | H19 | 27.2° | 46.7° |
