R7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.40Å | 1.39Å | |
| N14 | C15 | sing | 1.34Å | 1.35Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| O16 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | C17 | sing | 1.51Å | 1.51Å | |
| C10 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.50Å | |
| C09 | C07 | sing | 1.48Å | 1.50Å | |
| C07 | N06 | sing | 1.35Å | 1.34Å | |
| C07 | O08 | doub | 1.21Å | 1.23Å | |
| N06 | C04 | sing | 1.46Å | 1.46Å | |
| O21 | C19 | sing | 1.43Å | 1.43Å | |
| C04 | C19 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C19 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.35Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| N06 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| N14 | H16 | sing | 0.97Å | 1.00Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| O21 | H18 | sing | 0.97Å | 0.95Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 118.7° | 120.4° |
| C12 | C11 | C10 | 120.7° | 120.6° |
| C12 | C11 | H14 | 119.6° | 119.7° |
| C11 | C12 | H15 | 120.7° | 119.8° |
| C12 | C13 | N14 | 128.9° | 130.8° |
| C12 | C13 | C18 | 121.9° | 119.0° |
| C13 | C12 | H15 | 120.6° | 119.7° |
| C13 | N14 | C15 | 112.1° | 112.3° |
| N14 | C13 | C18 | 109.2° | 110.2° |
| C13 | N14 | H16 | 124.0° | 123.8° |
| N14 | C15 | O16 | 125.5° | 126.5° |
| N14 | C15 | C17 | 107.6° | 107.0° |
| C15 | N14 | H16 | 123.9° | 123.9° |
| C11 | C10 | C09 | 120.6° | 119.7° |
| C11 | C10 | H1 | 119.7° | 120.2° |
| C10 | C11 | H14 | 119.7° | 119.7° |
| C13 | C18 | C09 | 118.4° | 120.7° |
| C13 | C18 | C17 | 107.8° | 106.4° |
| O16 | C15 | C17 | 126.9° | 126.5° |
| C15 | C17 | C18 | 103.2° | 104.1° |
| C15 | C17 | H2 | 111.0° | 110.4° |
| C15 | C17 | H3 | 111.0° | 110.5° |
| C10 | C09 | C18 | 119.6° | 119.6° |
| C10 | C09 | C07 | 121.4° | 120.2° |
| C09 | C10 | H1 | 119.7° | 120.2° |
| C09 | C18 | C17 | 133.7° | 132.9° |
| C18 | C09 | C07 | 118.9° | 120.2° |
| C18 | C17 | H2 | 111.0° | 110.1° |
| C18 | C17 | H3 | 111.0° | 111.2° |
| C09 | C07 | N06 | 117.4° | 120.0° |
| C09 | C07 | O08 | 120.2° | 120.0° |
| N06 | C07 | O08 | 122.3° | 120.0° |
| C07 | N06 | C04 | 123.1° | 120.0° |
| C07 | N06 | H13 | 118.5° | 119.9° |
| N06 | C04 | C19 | 109.8° | 109.5° |
| N06 | C04 | C03 | 109.7° | 109.5° |
| N06 | C04 | H12 | 108.0° | 109.5° |
| C04 | N06 | H13 | 118.4° | 120.0° |
| O21 | C19 | C04 | 109.6° | 109.5° |
| O21 | C19 | C22 | 111.4° | 109.5° |
| O21 | C19 | H17 | 108.5° | 109.4° |
| C19 | O21 | H18 | 109.5° | 114.0° |
| C19 | C04 | C03 | 114.7° | 109.4° |
| C04 | C19 | C22 | 112.5° | 109.5° |
| C19 | C04 | H12 | 107.1° | 109.5° |
| C04 | C19 | H17 | 107.2° | 109.5° |
| C04 | C03 | C02 | 114.5° | 109.5° |
| C04 | C03 | H10 | 108.2° | 109.4° |
| C04 | C03 | H11 | 108.2° | 109.5° |
| C03 | C04 | H12 | 107.2° | 109.4° |
| C03 | C02 | C01 | 112.5° | 109.5° |
| C03 | C02 | H8 | 108.7° | 109.5° |
| C03 | C02 | H9 | 108.7° | 109.5° |
| C02 | C03 | H10 | 108.2° | 109.5° |
| C02 | C03 | H11 | 108.2° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 108.7° | 109.5° |
| C01 | C02 | H9 | 108.7° | 109.5° |
| C19 | C22 | C23 | 120.1° | 120.0° |
| C19 | C22 | C28 | 120.5° | 120.0° |
| C22 | C19 | H17 | 107.4° | 109.4° |
| C23 | C22 | C28 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C22 | C23 | H19 | 119.7° | 120.0° |
| C22 | C28 | C29 | 122.5° | 120.0° |
| C22 | C28 | C26 | 117.6° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.0° |
| C23 | C24 | H4 | 119.8° | 120.0° |
| C24 | C23 | H19 | 119.7° | 120.0° |
| C29 | C28 | C26 | 119.9° | 120.0° |
| C28 | C29 | H21 | 109.5° | 109.5° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C26 | C25 | 123.9° | 120.0° |
| C28 | C26 | F27 | 117.8° | 120.0° |
| C24 | C25 | C26 | 118.2° | 120.0° |
| C25 | C24 | H4 | 119.8° | 120.0° |
| C24 | C25 | H20 | 120.9° | 120.0° |
| C25 | C26 | F27 | 118.4° | 120.0° |
| C26 | C25 | H20 | 120.9° | 120.0° |
| H2 | C17 | H3 | 109.5° | 110.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H21 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 179.1° | 179.6° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | C18 | 0.2° | 0.3° |
| C12 | C11 | C10 | C09 | 1.4° | 0.0° |
| C12 | C11 | C10 | H1 | 178.6° | 179.7° |
| C12 | C13 | N14 | C18 | 179.4° | 179.3° |
| C12 | C13 | N14 | C15 | 178.7° | 179.7° |
| C13 | C12 | C11 | C10 | 0.7° | 0.0° |
| C12 | C13 | C18 | C09 | 0.2° | 0.6° |
| C12 | C13 | C18 | C17 | 179.5° | 180.0° |
| C13 | C12 | C11 | H14 | 179.3° | 180.0° |
| C12 | C13 | N14 | H16 | 1.3° | 0.7° |
| C13 | N14 | C15 | H16 | 180.0° | 179.0° |
| C13 | N14 | C15 | O16 | 179.8° | 179.1° |
| C13 | N14 | C15 | C17 | 1.1° | 1.0° |
| N14 | C13 | C18 | C09 | 179.2° | 180.0° |
| N14 | C13 | C18 | C17 | 0.0° | 0.5° |
| N14 | C13 | C12 | H15 | 0.9° | 0.4° |
| C15 | N14 | C13 | C18 | 0.7° | 1.0° |
| N14 | C15 | O16 | C17 | 178.5° | 179.9° |
| N14 | C15 | C17 | C18 | 1.1° | 0.6° |
| N14 | C15 | C17 | H2 | 120.1° | 118.7° |
| N14 | C15 | C17 | H3 | 117.9° | 118.8° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C18 | 1.4° | 0.3° |
| C11 | C10 | C09 | C07 | 178.3° | 179.7° |
| C10 | C11 | C12 | H15 | 179.3° | 180.0° |
| C13 | C18 | C17 | C15 | 0.7° | 0.0° |
| C13 | C18 | C09 | C10 | 0.8° | 0.6° |
| C13 | C18 | C09 | C17 | 179.0° | 179.3° |
| C13 | C18 | C09 | C07 | 177.8° | 179.4° |
| C13 | C18 | C17 | H2 | 119.6° | 118.4° |
| C13 | C18 | C17 | H3 | 118.3° | 118.9° |
| C18 | C13 | C12 | H15 | 179.8° | 179.7° |
| C18 | C13 | N14 | H16 | 179.3° | 180.0° |
| O16 | C15 | C17 | C18 | 179.7° | 179.5° |
| O16 | C15 | C17 | H2 | 61.2° | 61.4° |
| O16 | C15 | C17 | H3 | 60.7° | 61.1° |
| O16 | C15 | N14 | H16 | 0.2° | 0.1° |
| C15 | C17 | C18 | C09 | 178.4° | 179.3° |
| C15 | C17 | C18 | H2 | 119.0° | 118.4° |
| C15 | C17 | C18 | H3 | 119.0° | 119.0° |
| C15 | C17 | H2 | H3 | 122.9° | 122.5° |
| C17 | C15 | N14 | H16 | 178.9° | 180.0° |
| C10 | C09 | C18 | C07 | 177.0° | 180.0° |
| C10 | C09 | C18 | C17 | 179.8° | 179.9° |
| C10 | C09 | C07 | N06 | 15.6° | 0.0° |
| C10 | C09 | C07 | O08 | 167.8° | 180.0° |
| C09 | C10 | C11 | H14 | 178.6° | 180.0° |
| C18 | C09 | C07 | N06 | 161.3° | 180.0° |
| C18 | C09 | C07 | O08 | 15.3° | 0.0° |
| C18 | C09 | C10 | H1 | 178.6° | 180.0° |
| C09 | C18 | C17 | H2 | 59.4° | 61.0° |
| C09 | C18 | C17 | H3 | 62.6° | 61.7° |
| C17 | C18 | C09 | C07 | 3.2° | 0.1° |
| C18 | C17 | H2 | H3 | 122.9° | 123.1° |
| C09 | C07 | N06 | O08 | 176.5° | 180.0° |
| C09 | C07 | N06 | C04 | 174.8° | 180.0° |
| C07 | C09 | C10 | H1 | 1.7° | 0.0° |
| C09 | C07 | N06 | H13 | 5.2° | 0.0° |
| C07 | N06 | C04 | H13 | 180.0° | 179.9° |
| C07 | N06 | C04 | C19 | 86.7° | 155.0° |
| C07 | N06 | C04 | C03 | 146.3° | 85.0° |
| C07 | N06 | C04 | H12 | 29.8° | 35.0° |
| O08 | C07 | N06 | C04 | 1.7° | 0.0° |
| O08 | C07 | N06 | H13 | 178.3° | 180.0° |
| N06 | C04 | C19 | O21 | 59.6° | 65.0° |
| N06 | C04 | C19 | C03 | 124.1° | 120.1° |
| N06 | C04 | C19 | H12 | 117.1° | 120.0° |
| N06 | C04 | C03 | H12 | 117.0° | 120.0° |
| N06 | C04 | C03 | C02 | 59.3° | 65.0° |
| N06 | C04 | C19 | C22 | 175.8° | 175.0° |
| N06 | C04 | C03 | H10 | 180.0° | 55.0° |
| N06 | C04 | C03 | H11 | 61.5° | 175.0° |
| N06 | C04 | C19 | H17 | 58.0° | 55.0° |
| O21 | C19 | C04 | C22 | 124.5° | 120.1° |
| O21 | C19 | C04 | H17 | 117.6° | 119.9° |
| O21 | C19 | C04 | C03 | 64.5° | 55.1° |
| O21 | C19 | C22 | H17 | 118.7° | 119.9° |
| O21 | C19 | C22 | C23 | 27.3° | 25.0° |
| O21 | C19 | C22 | C28 | 151.2° | 155.2° |
| O21 | C19 | C04 | H12 | 176.7° | 175.0° |
| C19 | C04 | C03 | H12 | 118.8° | 120.0° |
| C19 | C04 | C03 | C02 | 176.5° | 175.0° |
| C04 | C19 | C22 | H17 | 117.8° | 120.0° |
| C04 | C19 | C22 | C23 | 96.3° | 95.0° |
| C04 | C19 | C22 | C28 | 85.3° | 84.7° |
| C19 | C04 | C03 | H10 | 55.8° | 65.1° |
| C19 | C04 | C03 | H11 | 62.7° | 55.0° |
| C19 | C04 | N06 | H13 | 93.3° | 25.0° |
| C04 | C19 | O21 | H18 | 180.0° | 60.1° |
| C04 | C03 | C02 | H10 | 120.8° | 119.9° |
| C04 | C03 | C02 | H11 | 120.7° | 120.0° |
| C04 | C03 | C02 | C01 | 167.9° | 179.9° |
| C03 | C04 | C19 | C22 | 60.1° | 65.0° |
| C04 | C03 | C02 | H8 | 71.7° | 60.1° |
| C04 | C03 | C02 | H9 | 47.4° | 60.0° |
| C04 | C03 | H10 | H11 | 117.7° | 120.0° |
| C03 | C04 | N06 | H13 | 33.7° | 95.0° |
| C03 | C04 | C19 | H17 | 177.9° | 175.0° |
| C03 | C02 | C01 | H8 | 120.4° | 120.0° |
| C03 | C02 | C01 | H9 | 120.4° | 120.0° |
| C03 | C02 | C01 | H5 | 180.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C03 | C02 | H8 | H9 | 118.6° | 120.0° |
| C02 | C03 | H10 | H11 | 117.7° | 120.1° |
| C02 | C03 | C04 | H12 | 57.8° | 55.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.1° |
| C01 | C02 | H8 | H9 | 118.6° | 120.0° |
| C01 | C02 | C03 | H10 | 47.1° | 60.0° |
| C01 | C02 | C03 | H11 | 71.4° | 60.0° |
| C19 | C22 | C23 | C28 | 178.5° | 179.8° |
| C19 | C22 | C23 | C24 | 179.6° | 179.7° |
| C19 | C22 | C28 | C29 | 1.1° | 0.2° |
| C19 | C22 | C28 | C26 | 179.7° | 179.7° |
| C22 | C19 | C04 | H12 | 58.8° | 55.0° |
| C22 | C19 | O21 | H18 | 54.9° | 60.0° |
| C19 | C22 | C23 | H19 | 0.4° | 0.3° |
| C22 | C23 | C24 | H19 | 180.0° | 179.9° |
| C23 | C22 | C28 | C29 | 179.6° | 180.0° |
| C23 | C22 | C28 | C26 | 1.9° | 0.1° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H4 | 179.8° | 179.9° |
| C23 | C22 | C19 | H17 | 146.0° | 145.0° |
| C28 | C22 | C23 | C24 | 1.1° | 0.0° |
| C22 | C28 | C29 | C26 | 178.6° | 179.9° |
| C22 | C28 | C26 | C25 | 1.3° | 0.1° |
| C22 | C28 | C26 | F27 | 179.2° | 180.0° |
| C28 | C22 | C19 | H17 | 32.5° | 35.3° |
| C28 | C22 | C23 | H19 | 178.9° | 179.9° |
| C22 | C28 | C29 | H21 | 90.8° | 90.1° |
| C22 | C28 | C29 | H22 | 149.2° | 149.9° |
| C22 | C28 | C29 | H23 | 29.2° | 30.0° |
| C23 | C24 | C25 | H4 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.7° | 0.1° |
| C23 | C24 | C25 | H20 | 179.3° | 180.0° |
| C29 | C28 | C26 | C25 | 180.0° | 180.0° |
| C29 | C28 | C26 | F27 | 0.6° | 0.1° |
| C28 | C29 | H21 | H22 | 120.0° | 120.0° |
| C28 | C29 | H21 | H23 | 120.0° | 120.0° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C28 | C26 | C25 | C24 | 0.0° | 0.1° |
| C28 | C26 | C25 | F27 | 179.5° | 179.9° |
| C28 | C26 | C25 | H20 | 180.0° | 179.9° |
| C26 | C28 | C29 | H21 | 90.7° | 90.0° |
| C26 | C28 | C29 | H22 | 29.3° | 30.0° |
| C26 | C28 | C29 | H23 | 149.3° | 149.9° |
| C24 | C25 | C26 | H20 | 180.0° | 179.9° |
| C24 | C25 | C26 | F27 | 179.5° | 180.0° |
| C25 | C24 | C23 | H19 | 179.8° | 179.9° |
| C26 | C25 | C24 | H4 | 179.3° | 180.0° |
| F27 | C26 | C25 | H20 | 0.5° | 0.0° |
| H1 | C10 | C11 | H14 | 1.4° | 0.3° |
| H4 | C24 | C23 | H19 | 0.2° | 0.0° |
| H4 | C24 | C25 | H20 | 0.7° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H5 | C01 | C02 | H8 | 59.6° | 60.0° |
| H5 | C01 | C02 | H9 | 59.6° | 179.9° |
| H6 | C01 | C02 | H8 | 179.6° | 179.9° |
| H6 | C01 | C02 | H9 | 60.4° | 60.0° |
| H7 | C01 | C02 | H8 | 60.5° | 60.0° |
| H7 | C01 | C02 | H9 | 179.6° | 60.1° |
| H8 | C02 | C03 | H10 | 167.6° | 180.0° |
| H8 | C02 | C03 | H11 | 49.1° | 59.9° |
| H9 | C02 | C03 | H10 | 73.3° | 59.9° |
| H9 | C02 | C03 | H11 | 168.2° | 180.0° |
| H10 | C03 | C04 | H12 | 63.0° | 175.0° |
| H11 | C03 | C04 | H12 | 178.5° | 65.0° |
| H12 | C04 | N06 | H13 | 150.2° | 145.0° |
| H12 | C04 | C19 | H17 | 59.1° | 65.0° |
| H14 | C11 | C12 | H15 | 0.7° | 0.0° |
| H17 | C19 | O21 | H18 | 63.2° | 180.0° |
| H21 | C29 | H22 | H23 | 120.0° | 120.0° |
