9ZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C01 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.47Å | |
| C06 | C07 | sing | 1.53Å | 1.51Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.48Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C09 | sing | 1.53Å | 1.49Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| C04 | C10 | sing | 1.53Å | 1.51Å | |
| C09 | C08 | sing | 1.53Å | 1.40Å | |
| C08 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | N11 | sing | 1.46Å | 1.46Å | |
| N11 | C12 | sing | 1.35Å | 1.44Å | |
| O13 | C12 | doub | 1.22Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.46Å | |
| N14 | C15 | sing | 1.40Å | 1.44Å | |
| C15 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | F23 | sing | 1.35Å | 1.34Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | F22 | sing | 1.35Å | 1.34Å | |
| C18 | F21 | sing | 1.35Å | 1.35Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| N14 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C06 | C05 | 112.8° | 109.5° |
| C01 | C06 | C07 | 94.0° | 109.5° |
| C06 | C01 | C02 | 112.3° | 109.5° |
| C06 | C01 | H4 | 108.8° | 109.4° |
| C06 | C01 | H5 | 108.8° | 109.5° |
| C01 | C06 | H12 | 110.8° | 109.5° |
| C05 | C06 | C07 | 114.8° | 109.5° |
| C06 | C05 | C04 | 112.7° | 109.4° |
| C06 | C05 | H10 | 108.7° | 109.4° |
| C06 | C05 | H11 | 108.7° | 109.5° |
| C05 | C06 | H12 | 111.9° | 109.4° |
| C06 | C07 | C08 | 112.1° | 109.4° |
| C07 | C06 | H12 | 111.3° | 109.5° |
| C06 | C07 | H13 | 108.8° | 109.5° |
| C06 | C07 | H14 | 108.8° | 109.5° |
| C01 | C02 | C03 | 113.2° | 109.5° |
| C01 | C02 | C09 | 106.0° | 109.5° |
| C02 | C01 | H4 | 108.8° | 109.5° |
| C02 | C01 | H5 | 108.7° | 109.5° |
| C01 | C02 | H6 | 110.8° | 109.5° |
| C05 | C04 | C03 | 112.7° | 109.5° |
| C05 | C04 | C10 | 114.3° | 109.5° |
| C05 | C04 | H9 | 111.8° | 109.5° |
| C04 | C05 | H10 | 108.6° | 109.5° |
| C04 | C05 | H11 | 108.7° | 109.5° |
| C07 | C08 | C09 | 111.9° | 109.4° |
| C07 | C08 | C10 | 111.7° | 109.5° |
| C08 | C07 | H13 | 108.8° | 109.5° |
| C08 | C07 | H14 | 108.8° | 109.4° |
| C07 | C08 | H15 | 108.4° | 109.5° |
| C03 | C02 | C09 | 103.9° | 109.4° |
| C02 | C03 | C04 | 112.5° | 109.5° |
| C03 | C02 | H6 | 111.0° | 109.4° |
| C02 | C03 | H7 | 108.7° | 109.4° |
| C02 | C03 | H8 | 108.7° | 109.5° |
| C02 | C09 | C08 | 108.5° | 109.5° |
| C09 | C02 | H6 | 111.7° | 109.5° |
| C02 | C09 | H16 | 109.7° | 109.5° |
| C02 | C09 | H17 | 109.8° | 109.4° |
| C03 | C04 | C10 | 94.6° | 109.4° |
| C04 | C03 | H7 | 108.7° | 109.4° |
| C04 | C03 | H8 | 108.7° | 109.5° |
| C03 | C04 | H9 | 110.9° | 109.4° |
| C04 | C10 | C08 | 111.6° | 109.5° |
| C04 | C10 | N11 | 110.4° | 109.5° |
| C04 | C10 | H1 | 108.0° | 109.5° |
| C10 | C04 | H9 | 111.4° | 109.5° |
| C09 | C08 | C10 | 107.1° | 109.5° |
| C09 | C08 | H15 | 109.8° | 109.5° |
| C08 | C09 | H16 | 109.7° | 109.5° |
| C08 | C09 | H17 | 109.7° | 109.5° |
| C08 | C10 | N11 | 110.3° | 109.5° |
| C08 | C10 | H1 | 107.6° | 109.4° |
| C10 | C08 | H15 | 107.9° | 109.5° |
| C10 | N11 | C12 | 119.4° | 120.0° |
| N11 | C10 | H1 | 108.7° | 109.5° |
| C10 | N11 | H18 | 120.3° | 120.0° |
| N11 | C12 | O13 | 118.3° | 120.0° |
| N11 | C12 | N14 | 119.1° | 120.0° |
| C12 | N11 | H18 | 120.3° | 120.0° |
| O13 | C12 | N14 | 122.7° | 120.0° |
| C12 | N14 | C15 | 126.4° | 120.0° |
| C12 | N14 | H19 | 116.8° | 120.0° |
| N14 | C15 | C20 | 122.7° | 120.1° |
| N14 | C15 | C16 | 118.4° | 120.1° |
| C15 | N14 | H19 | 116.8° | 120.0° |
| C20 | C15 | C16 | 118.9° | 119.9° |
| C15 | C20 | C19 | 120.7° | 120.1° |
| C15 | C20 | H2 | 119.7° | 120.0° |
| C15 | C16 | F23 | 119.8° | 120.0° |
| C15 | C16 | C17 | 120.5° | 119.9° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C19 | C20 | H2 | 119.7° | 120.0° |
| C20 | C19 | H3 | 120.1° | 120.0° |
| F23 | C16 | C17 | 119.7° | 120.1° |
| C16 | C17 | C18 | 120.1° | 119.9° |
| C16 | C17 | F22 | 119.9° | 120.0° |
| C19 | C18 | C17 | 119.8° | 120.1° |
| C19 | C18 | F21 | 120.1° | 119.9° |
| C18 | C19 | H3 | 120.0° | 120.0° |
| C18 | C17 | F22 | 120.0° | 120.0° |
| C17 | C18 | F21 | 120.0° | 119.9° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C06 | C05 | C07 | 106.1° | 120.1° |
| C01 | C06 | C05 | H12 | 125.8° | 120.0° |
| C01 | C06 | C07 | H12 | 114.2° | 120.0° |
| C06 | C01 | C02 | H4 | 120.4° | 120.0° |
| C06 | C01 | C02 | H5 | 120.4° | 120.0° |
| C01 | C06 | C05 | C04 | 56.6° | 60.0° |
| C01 | C06 | C07 | C08 | 66.4° | 60.0° |
| C06 | C01 | C02 | C03 | 45.0° | 60.0° |
| C06 | C01 | C02 | C09 | 68.2° | 59.9° |
| C06 | C01 | H4 | H5 | 118.7° | 120.0° |
| C06 | C01 | C02 | H6 | 170.4° | 180.0° |
| C01 | C06 | C05 | H10 | 177.0° | 60.0° |
| C01 | C06 | C05 | H11 | 63.9° | 180.0° |
| C01 | C06 | C07 | H13 | 53.9° | 59.9° |
| C01 | C06 | C07 | H14 | 173.1° | 180.0° |
| C05 | C06 | C07 | H12 | 128.4° | 119.9° |
| C05 | C06 | C01 | C02 | 50.4° | 60.0° |
| C06 | C05 | C04 | H10 | 120.5° | 120.0° |
| C06 | C05 | C04 | H11 | 120.5° | 120.0° |
| C05 | C06 | C07 | C08 | 51.0° | 60.0° |
| C06 | C05 | C04 | C03 | 56.6° | 60.0° |
| C06 | C05 | C04 | C10 | 49.9° | 60.0° |
| C05 | C06 | C01 | H4 | 70.0° | 180.0° |
| C05 | C06 | C01 | H5 | 170.8° | 60.0° |
| C06 | C05 | C04 | H9 | 177.6° | 180.0° |
| C06 | C05 | H10 | H11 | 118.5° | 120.0° |
| C05 | C06 | C07 | H13 | 171.4° | 180.0° |
| C05 | C06 | C07 | H14 | 69.4° | 59.9° |
| C07 | C06 | C01 | C02 | 68.6° | 60.0° |
| C07 | C06 | C05 | C04 | 49.6° | 60.1° |
| C06 | C07 | C08 | H13 | 120.4° | 120.0° |
| C06 | C07 | C08 | H14 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 69.0° | 60.0° |
| C06 | C07 | C08 | C10 | 51.0° | 60.0° |
| C07 | C06 | C01 | H4 | 170.9° | 59.9° |
| C07 | C06 | C01 | H5 | 51.8° | 180.0° |
| C07 | C06 | C05 | H10 | 70.9° | 180.0° |
| C07 | C06 | C05 | H11 | 170.1° | 59.9° |
| C06 | C07 | H13 | H14 | 118.8° | 120.1° |
| C06 | C07 | C08 | H15 | 169.7° | 180.0° |
| C01 | C02 | C03 | C09 | 114.5° | 120.0° |
| C01 | C02 | C03 | H6 | 125.3° | 120.0° |
| C01 | C02 | C09 | H6 | 120.7° | 120.1° |
| C01 | C02 | C03 | C04 | 45.2° | 60.0° |
| C01 | C02 | C09 | C08 | 56.5° | 60.0° |
| C02 | C01 | H4 | H5 | 118.7° | 120.0° |
| C01 | C02 | C03 | H7 | 75.2° | 59.9° |
| C01 | C02 | C03 | H8 | 165.7° | 180.0° |
| C02 | C01 | C06 | H12 | 176.8° | 180.0° |
| C01 | C02 | C09 | H16 | 176.4° | 180.0° |
| C01 | C02 | C09 | H17 | 63.3° | 60.1° |
| C05 | C04 | C03 | C02 | 50.7° | 60.0° |
| C05 | C04 | C03 | C10 | 118.8° | 120.0° |
| C05 | C04 | C03 | H9 | 126.2° | 120.0° |
| C05 | C04 | C10 | H9 | 127.9° | 120.0° |
| C05 | C04 | C10 | C08 | 50.9° | 60.0° |
| C05 | C04 | C10 | N11 | 174.0° | 180.0° |
| C05 | C04 | C10 | H1 | 67.2° | 59.9° |
| C05 | C04 | C03 | H7 | 69.7° | 59.9° |
| C05 | C04 | C03 | H8 | 171.2° | 180.0° |
| C04 | C05 | H10 | H11 | 118.5° | 120.0° |
| C04 | C05 | C06 | H12 | 177.6° | 180.0° |
| C07 | C08 | C09 | C02 | 58.3° | 60.0° |
| C07 | C08 | C10 | C04 | 51.2° | 60.0° |
| C07 | C08 | C09 | C10 | 122.7° | 120.0° |
| C07 | C08 | C09 | H15 | 120.4° | 120.0° |
| C07 | C08 | C10 | H15 | 119.1° | 120.0° |
| C07 | C08 | C10 | N11 | 174.4° | 180.0° |
| C07 | C08 | C10 | H1 | 67.1° | 60.0° |
| C08 | C07 | C06 | H12 | 179.4° | 179.9° |
| C08 | C07 | H13 | H14 | 118.8° | 120.0° |
| C07 | C08 | C09 | H16 | 178.1° | 179.9° |
| C07 | C08 | C09 | H17 | 61.6° | 60.0° |
| C03 | C02 | C09 | H6 | 119.7° | 119.9° |
| C02 | C03 | C04 | H7 | 120.4° | 119.9° |
| C02 | C03 | C04 | H8 | 120.5° | 120.0° |
| C02 | C03 | C04 | C10 | 68.1° | 60.1° |
| C03 | C02 | C09 | C08 | 63.0° | 60.0° |
| C03 | C02 | C01 | H4 | 75.4° | 180.0° |
| C03 | C02 | C01 | H5 | 165.4° | 60.0° |
| C02 | C03 | H7 | H8 | 118.6° | 120.1° |
| C02 | C03 | C04 | H9 | 176.9° | 180.0° |
| C03 | C02 | C09 | H16 | 56.8° | 60.1° |
| C03 | C02 | C09 | H17 | 177.1° | 179.9° |
| C09 | C02 | C03 | C04 | 69.2° | 60.0° |
| C02 | C09 | C08 | H16 | 119.8° | 120.1° |
| C02 | C09 | C08 | H17 | 119.9° | 120.0° |
| C02 | C09 | C08 | C10 | 64.4° | 60.0° |
| C09 | C02 | C01 | H4 | 171.4° | 60.0° |
| C09 | C02 | C01 | H5 | 52.2° | 179.9° |
| C09 | C02 | C03 | H7 | 170.3° | 179.9° |
| C09 | C02 | C03 | H8 | 51.2° | 60.0° |
| C02 | C09 | C08 | H15 | 178.7° | 180.0° |
| C02 | C09 | H16 | H17 | 120.5° | 119.9° |
| C03 | C04 | C10 | H9 | 114.6° | 119.9° |
| C03 | C04 | C10 | C08 | 66.5° | 60.0° |
| C03 | C04 | C10 | N11 | 56.6° | 60.0° |
| C03 | C04 | C10 | H1 | 175.3° | 180.0° |
| C04 | C03 | C02 | H6 | 170.5° | 180.0° |
| C04 | C03 | H7 | H8 | 118.6° | 120.0° |
| C03 | C04 | C05 | H10 | 177.1° | 60.0° |
| C03 | C04 | C05 | H11 | 63.9° | 180.0° |
| C04 | C10 | C08 | C09 | 71.5° | 60.0° |
| C04 | C10 | C08 | N11 | 123.2° | 120.0° |
| C04 | C10 | C08 | H1 | 118.3° | 120.0° |
| C04 | C10 | N11 | H1 | 118.3° | 120.0° |
| C04 | C10 | N11 | C12 | 98.1° | 155.0° |
| C10 | C04 | C03 | H7 | 171.5° | 180.0° |
| C10 | C04 | C03 | H8 | 52.4° | 60.0° |
| C10 | C04 | C05 | H10 | 70.6° | 180.0° |
| C10 | C04 | C05 | H11 | 170.4° | 60.0° |
| C04 | C10 | C08 | H15 | 170.3° | 180.0° |
| C04 | C10 | N11 | H18 | 81.9° | 25.0° |
| C09 | C08 | C10 | H15 | 118.1° | 120.0° |
| C09 | C08 | C10 | N11 | 51.6° | 60.0° |
| C09 | C08 | C10 | H1 | 170.1° | 180.0° |
| C08 | C09 | C02 | H6 | 177.2° | 180.0° |
| C09 | C08 | C07 | H13 | 51.3° | 60.0° |
| C09 | C08 | C07 | H14 | 170.6° | 180.0° |
| C08 | C09 | H16 | H17 | 120.4° | 120.0° |
| C08 | C10 | N11 | H1 | 117.8° | 120.0° |
| C08 | C10 | N11 | C12 | 138.1° | 85.0° |
| C08 | C10 | C04 | H9 | 178.8° | 180.0° |
| C10 | C08 | C07 | H13 | 171.3° | 180.0° |
| C10 | C08 | C07 | H14 | 69.4° | 60.0° |
| C10 | C08 | C09 | H16 | 55.5° | 60.1° |
| C10 | C08 | C09 | H17 | 175.8° | 180.0° |
| C08 | C10 | N11 | H18 | 41.9° | 95.0° |
| C10 | N11 | C12 | H18 | 180.0° | 180.0° |
| C10 | N11 | C12 | O13 | 0.0° | 0.0° |
| C10 | N11 | C12 | N14 | 179.9° | 180.0° |
| N11 | C10 | C04 | H9 | 58.0° | 60.0° |
| N11 | C10 | C08 | H15 | 66.5° | 60.0° |
| N11 | C12 | O13 | N14 | 179.9° | 180.0° |
| N11 | C12 | N14 | C15 | 180.0° | 174.3° |
| C12 | N11 | C10 | H1 | 20.2° | 35.0° |
| N11 | C12 | N14 | H19 | 0.0° | 5.6° |
| O13 | C12 | N14 | C15 | 0.1° | 5.7° |
| O13 | C12 | N11 | H18 | 180.0° | 180.0° |
| O13 | C12 | N14 | H19 | 179.9° | 174.4° |
| C12 | N14 | C15 | H19 | 180.0° | 179.9° |
| C12 | N14 | C15 | C20 | 1.6° | 24.7° |
| C12 | N14 | C15 | C16 | 178.5° | 155.2° |
| N14 | C12 | N11 | H18 | 0.1° | 0.0° |
| N14 | C15 | C20 | C16 | 179.9° | 179.9° |
| N14 | C15 | C20 | C19 | 180.0° | 180.0° |
| N14 | C15 | C16 | F23 | 0.1° | 0.1° |
| N14 | C15 | C16 | C17 | 180.0° | 179.7° |
| N14 | C15 | C20 | H2 | 0.0° | 0.1° |
| C15 | C20 | C19 | H2 | 180.0° | 180.0° |
| C20 | C15 | C16 | F23 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C20 | C19 | C18 | 0.1° | 0.3° |
| C15 | C20 | C19 | H3 | 179.9° | 180.0° |
| C20 | C15 | N14 | H19 | 178.4° | 155.2° |
| C16 | C15 | C20 | C19 | 0.1° | 0.1° |
| C15 | C16 | F23 | C17 | 179.9° | 179.8° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C15 | C16 | C17 | F22 | 180.0° | 179.8° |
| C16 | C15 | C20 | H2 | 179.9° | 180.0° |
| C16 | C15 | N14 | H19 | 1.6° | 24.9° |
| C20 | C19 | C18 | H3 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.1° | 0.2° |
| C20 | C19 | C18 | F21 | 179.9° | 179.7° |
| F23 | C16 | C17 | C18 | 180.0° | 180.0° |
| F23 | C16 | C17 | F22 | 0.0° | 0.1° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | F22 | 180.0° | 180.0° |
| C16 | C17 | C18 | F21 | 180.0° | 180.0° |
| C19 | C18 | C17 | F21 | 180.0° | 180.0° |
| C19 | C18 | C17 | F22 | 180.0° | 180.0° |
| C18 | C19 | C20 | H2 | 179.9° | 179.8° |
| C17 | C18 | C19 | H3 | 179.9° | 180.0° |
| F22 | C17 | C18 | F21 | 0.0° | 0.1° |
| F21 | C18 | C19 | H3 | 0.1° | 0.0° |
| H1 | C10 | C04 | H9 | 60.7° | 60.1° |
| H1 | C10 | C08 | H15 | 52.0° | 60.0° |
| H1 | C10 | N11 | H18 | 159.8° | 145.0° |
| H2 | C20 | C19 | H3 | 0.1° | 0.0° |
| H4 | C01 | C02 | H6 | 50.0° | 60.1° |
| H4 | C01 | C06 | H12 | 56.4° | 60.1° |
| H5 | C01 | C02 | H6 | 69.1° | 60.0° |
| H5 | C01 | C06 | H12 | 62.8° | 60.0° |
| H6 | C02 | C03 | H7 | 50.1° | 60.1° |
| H6 | C02 | C03 | H8 | 69.0° | 60.0° |
| H6 | C02 | C09 | H16 | 62.9° | 59.9° |
| H6 | C02 | C09 | H17 | 57.4° | 60.0° |
| H7 | C03 | C04 | H9 | 56.5° | 60.1° |
| H8 | C03 | C04 | H9 | 62.6° | 59.9° |
| H9 | C04 | C05 | H10 | 57.1° | 60.0° |
| H9 | C04 | C05 | H11 | 61.9° | 60.0° |
| H10 | C05 | C06 | H12 | 57.2° | 60.0° |
| H11 | C05 | C06 | H12 | 61.9° | 60.0° |
| H12 | C06 | C07 | H13 | 60.2° | 60.1° |
| H12 | C06 | C07 | H14 | 59.0° | 60.0° |
| H13 | C07 | C08 | H15 | 69.9° | 60.0° |
| H14 | C07 | C08 | H15 | 49.3° | 60.0° |
| H15 | C08 | C09 | H16 | 61.5° | 60.0° |
| H15 | C08 | C09 | H17 | 58.8° | 59.9° |
