9P4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | doub | 1.36Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.36Å | 1.40Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.37Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.39Å | Aromatic |
| C08 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N12 | sing | 1.47Å | 1.47Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | F23 | sing | 1.35Å | 1.35Å | |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| N12 | H10 | sing | 1.01Å | 1.00Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C04 | H17 | sing | 1.08Å | 1.08Å | |
| C03 | H18 | sing | 1.08Å | 1.08Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C05 | 118.5° | 118.3° |
| C04 | C03 | C02 | 120.9° | 119.9° |
| C03 | C04 | H17 | 120.7° | 120.9° |
| C04 | C03 | H18 | 119.6° | 120.0° |
| C04 | C05 | C06 | 121.6° | 121.3° |
| C04 | C05 | C10 | 118.6° | 119.2° |
| C05 | C04 | H17 | 120.8° | 120.8° |
| C03 | C02 | N02 | 122.3° | 119.2° |
| C03 | C02 | N01 | 119.3° | 121.5° |
| C02 | C03 | H18 | 119.5° | 120.1° |
| C05 | C06 | C07 | 119.3° | 119.7° |
| C06 | C05 | C10 | 119.8° | 119.6° |
| C05 | C06 | H15 | 120.4° | 120.2° |
| C06 | C07 | C08 | 120.2° | 120.8° |
| C06 | C07 | H14 | 119.9° | 119.6° |
| C07 | C06 | H15 | 120.3° | 120.1° |
| C05 | C10 | N01 | 121.6° | 119.9° |
| C05 | C10 | C09 | 120.4° | 119.1° |
| N02 | C02 | N01 | 118.4° | 119.2° |
| C02 | N02 | H19 | 109.5° | 120.0° |
| C02 | N02 | H20 | 109.5° | 120.0° |
| C02 | N01 | C10 | 121.1° | 121.3° |
| C07 | C08 | C09 | 119.8° | 121.0° |
| C07 | C08 | C11 | 125.2° | 119.5° |
| C08 | C07 | H14 | 119.9° | 119.6° |
| N01 | C10 | C09 | 118.0° | 121.0° |
| C10 | C09 | C08 | 120.3° | 119.8° |
| C10 | C09 | H16 | 119.8° | 120.1° |
| C09 | C08 | C11 | 115.0° | 119.5° |
| C08 | C09 | H16 | 119.8° | 120.1° |
| C08 | C11 | N12 | 117.6° | 109.5° |
| C08 | C11 | H12 | 107.4° | 109.4° |
| C08 | C11 | H13 | 107.4° | 109.4° |
| C11 | N12 | C13 | 105.0° | 111.0° |
| C11 | N12 | H10 | 110.6° | 111.0° |
| N12 | C11 | H12 | 107.4° | 109.5° |
| N12 | C11 | H13 | 107.4° | 109.5° |
| N12 | C13 | C14 | 111.6° | 109.5° |
| N12 | C13 | H8 | 108.9° | 109.5° |
| N12 | C13 | H9 | 108.9° | 109.5° |
| C13 | N12 | H10 | 110.6° | 111.0° |
| C13 | C14 | C15 | 109.7° | 109.5° |
| C13 | C14 | H6 | 109.4° | 109.4° |
| C13 | C14 | H7 | 109.4° | 109.5° |
| C14 | C13 | H8 | 108.9° | 109.5° |
| C14 | C13 | H9 | 108.9° | 109.5° |
| C14 | C15 | C25 | 110.0° | 109.5° |
| C14 | C15 | H4 | 109.3° | 109.5° |
| C14 | C15 | H5 | 109.3° | 109.4° |
| C15 | C14 | H6 | 109.4° | 109.5° |
| C15 | C14 | H7 | 109.4° | 109.4° |
| C15 | C25 | C26 | 120.6° | 120.4° |
| C15 | C25 | C24 | 120.2° | 120.4° |
| C25 | C15 | H4 | 109.3° | 109.5° |
| C25 | C15 | H5 | 109.3° | 109.5° |
| C26 | C25 | C24 | 119.2° | 119.2° |
| C25 | C26 | N21 | 121.3° | 120.8° |
| C25 | C26 | H2 | 119.3° | 119.6° |
| C25 | C24 | C23 | 118.5° | 118.4° |
| C25 | C24 | H3 | 120.7° | 120.8° |
| C26 | N21 | C22 | 120.3° | 121.7° |
| N21 | C26 | H2 | 119.4° | 119.6° |
| C24 | C23 | C22 | 119.8° | 119.1° |
| C24 | C23 | F23 | 119.8° | 120.5° |
| C23 | C24 | H3 | 120.7° | 120.8° |
| N21 | C22 | C23 | 120.9° | 120.7° |
| N21 | C22 | H1 | 119.6° | 119.6° |
| C22 | C23 | F23 | 120.4° | 120.4° |
| C23 | C22 | H1 | 119.6° | 119.7° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H19 | N02 | H20 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C05 | H17 | 180.0° | 179.5° |
| C04 | C03 | C02 | H18 | 180.0° | 179.6° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C03 | C04 | C05 | C10 | 0.4° | 0.2° |
| C04 | C03 | C02 | N02 | 179.5° | 180.0° |
| C04 | C03 | C02 | N01 | 1.6° | 0.7° |
| C05 | C04 | C03 | C02 | 1.2° | 0.4° |
| C04 | C05 | C06 | C10 | 179.7° | 179.7° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C04 | C05 | C10 | N01 | 0.0° | 0.3° |
| C04 | C05 | C10 | C09 | 179.0° | 179.7° |
| C04 | C05 | C06 | H15 | 0.1° | 0.1° |
| C05 | C04 | C03 | H18 | 178.7° | 180.0° |
| C03 | C02 | N02 | N01 | 178.9° | 179.3° |
| C03 | C02 | N01 | C10 | 1.1° | 0.8° |
| C02 | C03 | C04 | H17 | 178.8° | 180.0° |
| C03 | C02 | N02 | H19 | 178.9° | 0.0° |
| C03 | C02 | N02 | H20 | 59.0° | 180.0° |
| C05 | C06 | C07 | H15 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 1.0° | 0.0° |
| C06 | C05 | C10 | N01 | 179.6° | 180.0° |
| C06 | C05 | C10 | C09 | 1.3° | 0.5° |
| C05 | C06 | C07 | H14 | 179.0° | 180.0° |
| C06 | C05 | C04 | H17 | 0.1° | 0.5° |
| C07 | C06 | C05 | C10 | 0.2° | 0.2° |
| C06 | C07 | C08 | H14 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 1.2° | 0.0° |
| C06 | C07 | C08 | C11 | 178.6° | 179.7° |
| C05 | C10 | N01 | C02 | 0.3° | 0.6° |
| C05 | C10 | N01 | C09 | 179.1° | 179.4° |
| C05 | C10 | C09 | C08 | 1.1° | 0.5° |
| C10 | C05 | C06 | H15 | 179.8° | 179.7° |
| C05 | C10 | C09 | H16 | 178.8° | 179.4° |
| C10 | C05 | C04 | H17 | 179.6° | 179.8° |
| N02 | C02 | N01 | C10 | 179.9° | 180.0° |
| N02 | C02 | C03 | H18 | 0.5° | 0.5° |
| C02 | N02 | H19 | H20 | 120.0° | 179.9° |
| C02 | N01 | C10 | C09 | 179.4° | 180.0° |
| N01 | C02 | C03 | H18 | 178.4° | 179.7° |
| N01 | C02 | N02 | H19 | 0.0° | 179.2° |
| N01 | C02 | N02 | H20 | 120.0° | 0.7° |
| C07 | C08 | C09 | C10 | 0.1° | 0.3° |
| C07 | C08 | C09 | C11 | 179.8° | 179.7° |
| C07 | C08 | C11 | N12 | 23.2° | 89.7° |
| C07 | C08 | C11 | H12 | 98.0° | 150.2° |
| C07 | C08 | C11 | H13 | 144.4° | 30.3° |
| C08 | C07 | C06 | H15 | 179.0° | 180.0° |
| C07 | C08 | C09 | H16 | 179.9° | 179.7° |
| N01 | C10 | C09 | C08 | 179.8° | 180.0° |
| N01 | C10 | C09 | H16 | 0.2° | 0.0° |
| C10 | C09 | C08 | H16 | 180.0° | 179.9° |
| C10 | C09 | C08 | C11 | 179.7° | 179.9° |
| C09 | C08 | C11 | N12 | 157.0° | 90.0° |
| C09 | C08 | C11 | H12 | 81.9° | 30.1° |
| C09 | C08 | C11 | H13 | 35.8° | 150.0° |
| C09 | C08 | C07 | H14 | 178.8° | 180.0° |
| C08 | C11 | N12 | H12 | 121.2° | 120.0° |
| C08 | C11 | N12 | H13 | 121.2° | 120.0° |
| C08 | C11 | N12 | C13 | 160.6° | 180.0° |
| C08 | C11 | N12 | H10 | 80.2° | 56.1° |
| C08 | C11 | H12 | H13 | 116.3° | 119.9° |
| C11 | C08 | C07 | H14 | 1.4° | 0.3° |
| C11 | C08 | C09 | H16 | 0.3° | 0.0° |
| C11 | N12 | C13 | H10 | 119.3° | 123.9° |
| C11 | N12 | C13 | C14 | 137.2° | 180.0° |
| C11 | N12 | C13 | H8 | 102.4° | 60.0° |
| C11 | N12 | C13 | H9 | 16.9° | 60.0° |
| N12 | C11 | H12 | H13 | 116.3° | 120.0° |
| N12 | C13 | C14 | H8 | 120.3° | 120.0° |
| N12 | C13 | C14 | H9 | 120.3° | 120.0° |
| N12 | C13 | C14 | C15 | 165.7° | 180.0° |
| N12 | C13 | C14 | H6 | 45.7° | 60.0° |
| N12 | C13 | C14 | H7 | 74.2° | 60.0° |
| N12 | C13 | H8 | H9 | 119.0° | 120.0° |
| C13 | N12 | C11 | H12 | 39.4° | 60.0° |
| C13 | N12 | C11 | H13 | 78.3° | 60.0° |
| C13 | C14 | C15 | H6 | 120.0° | 120.0° |
| C13 | C14 | C15 | H7 | 120.1° | 120.0° |
| C13 | C14 | C15 | C25 | 146.2° | 180.0° |
| C13 | C14 | C15 | H4 | 26.1° | 59.9° |
| C13 | C14 | C15 | H5 | 93.7° | 60.0° |
| C13 | C14 | H6 | H7 | 119.9° | 120.0° |
| C14 | C13 | H8 | H9 | 119.0° | 120.0° |
| C14 | C13 | N12 | H10 | 18.0° | 56.1° |
| C14 | C15 | C25 | H4 | 120.1° | 120.0° |
| C14 | C15 | C25 | H5 | 120.1° | 120.0° |
| C14 | C15 | C25 | C26 | 175.2° | 90.0° |
| C14 | C15 | C25 | C24 | 4.4° | 89.8° |
| C14 | C15 | H4 | H5 | 119.8° | 120.0° |
| C15 | C14 | H6 | H7 | 119.9° | 120.0° |
| C15 | C14 | C13 | H8 | 73.9° | 60.0° |
| C15 | C14 | C13 | H9 | 45.4° | 60.1° |
| C15 | C25 | C26 | C24 | 179.6° | 179.8° |
| C15 | C25 | C26 | N21 | 179.9° | 179.9° |
| C15 | C25 | C24 | C23 | 179.9° | 179.8° |
| C15 | C25 | C26 | H2 | 0.1° | 0.1° |
| C15 | C25 | C24 | H3 | 0.1° | 0.2° |
| C25 | C15 | H4 | H5 | 119.7° | 120.0° |
| C25 | C15 | C14 | H6 | 93.8° | 60.0° |
| C25 | C15 | C14 | H7 | 26.1° | 60.0° |
| C25 | C26 | N21 | H2 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.3° | 0.5° |
| C25 | C26 | N21 | C22 | 0.1° | 0.1° |
| C26 | C25 | C24 | H3 | 179.7° | 180.0° |
| C26 | C25 | C15 | H4 | 55.1° | 150.0° |
| C26 | C25 | C15 | H5 | 64.8° | 30.0° |
| C24 | C25 | C26 | N21 | 0.3° | 0.3° |
| C25 | C24 | C23 | H3 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 0.2° | 0.4° |
| C25 | C24 | C23 | F23 | 179.6° | 179.8° |
| C24 | C25 | C26 | H2 | 179.7° | 179.8° |
| C24 | C25 | C15 | H4 | 124.5° | 30.2° |
| C24 | C25 | C15 | H5 | 115.7° | 150.2° |
| C26 | N21 | C22 | C23 | 0.0° | 0.1° |
| C26 | N21 | C22 | H1 | 180.0° | 180.0° |
| C24 | C23 | C22 | N21 | 0.1° | 0.2° |
| C24 | C23 | C22 | F23 | 179.9° | 179.8° |
| C24 | C23 | C22 | H1 | 179.9° | 179.9° |
| N21 | C22 | C23 | H1 | 180.0° | 179.9° |
| N21 | C22 | C23 | F23 | 179.8° | 180.0° |
| C22 | N21 | C26 | H2 | 179.9° | 180.0° |
| C22 | C23 | C24 | H3 | 179.7° | 180.0° |
| F23 | C23 | C22 | H1 | 0.2° | 0.0° |
| F23 | C23 | C24 | H3 | 0.4° | 0.2° |
| H4 | C15 | C14 | H6 | 146.1° | 179.9° |
| H4 | C15 | C14 | H7 | 94.0° | 60.0° |
| H5 | C15 | C14 | H6 | 26.3° | 59.9° |
| H5 | C15 | C14 | H7 | 146.2° | 180.0° |
| H6 | C14 | C13 | H8 | 166.0° | 180.0° |
| H6 | C14 | C13 | H9 | 74.6° | 60.0° |
| H7 | C14 | C13 | H8 | 46.1° | 59.9° |
| H7 | C14 | C13 | H9 | 165.5° | 180.0° |
| H8 | C13 | N12 | H10 | 138.3° | 63.9° |
| H9 | C13 | N12 | H10 | 102.4° | 176.0° |
| H10 | N12 | C11 | H12 | 158.7° | 64.0° |
| H10 | N12 | C11 | H13 | 41.0° | 176.0° |
| H14 | C07 | C06 | H15 | 1.0° | 0.1° |
| H17 | C04 | C03 | H18 | 1.3° | 0.5° |
