H7A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| O14 | C15 | sing | 1.36Å | 1.44Å | |
| O14 | C13 | sing | 1.43Å | 1.41Å | |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C18 | F19 | sing | 1.35Å | 1.37Å | |
| C18 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C11 | sing | 1.51Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| N10 | S07 | sing | 1.66Å | 1.70Å | |
| O09 | S07 | doub | 1.42Å | 1.47Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| S07 | C06 | sing | 1.76Å | 1.81Å | |
| S07 | O08 | doub | 1.42Å | 1.46Å | |
| C04 | C06 | doub | 1.34Å | 1.38Å | Aromatic |
| C04 | O03 | sing | 1.34Å | 1.35Å | Aromatic |
| C06 | C22 | sing | 1.47Å | 1.40Å | Aromatic |
| O25 | C23 | doub | 1.21Å | 1.26Å | |
| O03 | C02 | sing | 1.34Å | 1.35Å | Aromatic |
| C22 | C02 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.47Å | 1.54Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C23 | O24 | sing | 1.35Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | 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 | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N10 | H15 | sing | 0.97Å | 1.00Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 119.2° | 120.3° |
| C16 | C17 | C18 | 121.0° | 119.9° |
| C16 | C17 | H3 | 119.5° | 120.1° |
| C17 | C16 | H14 | 120.4° | 119.9° |
| C16 | C15 | O14 | 121.8° | 118.5° |
| C16 | C15 | C21 | 119.2° | 119.7° |
| C15 | C16 | H14 | 120.4° | 119.9° |
| C15 | O14 | C13 | 118.9° | 117.9° |
| O14 | C15 | C21 | 118.9° | 121.8° |
| O14 | C13 | C12 | 118.9° | 108.4° |
| O14 | C13 | H1 | 107.0° | 109.7° |
| O14 | C13 | H2 | 107.1° | 109.7° |
| C17 | C18 | F19 | 120.8° | 120.0° |
| C17 | C18 | C20 | 119.5° | 119.9° |
| C18 | C17 | H3 | 119.5° | 120.0° |
| C15 | C21 | C20 | 122.1° | 119.9° |
| C15 | C21 | C11 | 115.8° | 121.4° |
| C13 | C12 | C11 | 109.7° | 108.3° |
| C12 | C13 | H1 | 107.1° | 109.7° |
| C12 | C13 | H2 | 107.1° | 109.6° |
| C13 | C12 | H12 | 109.4° | 109.7° |
| C13 | C12 | H13 | 109.4° | 109.6° |
| F19 | C18 | C20 | 119.7° | 120.0° |
| C18 | C20 | C21 | 118.9° | 120.3° |
| C18 | C20 | H4 | 120.6° | 119.9° |
| C20 | C21 | C11 | 122.0° | 118.7° |
| C21 | C20 | H4 | 120.5° | 119.9° |
| C21 | C11 | C12 | 110.7° | 109.7° |
| C21 | C11 | N10 | 110.1° | 109.4° |
| C21 | C11 | H11 | 104.5° | 109.4° |
| C12 | C11 | N10 | 119.9° | 109.4° |
| C12 | C11 | H11 | 105.1° | 109.4° |
| C11 | C12 | H12 | 109.4° | 109.7° |
| C11 | C12 | H13 | 109.4° | 109.7° |
| C11 | N10 | S07 | 129.1° | 120.0° |
| N10 | C11 | H11 | 105.3° | 109.4° |
| C11 | N10 | H15 | 104.4° | 120.0° |
| N10 | S07 | O09 | 111.8° | 106.4° |
| N10 | S07 | C06 | 111.2° | 107.2° |
| N10 | S07 | O08 | 109.1° | 106.4° |
| S07 | N10 | H15 | 104.4° | 120.0° |
| O09 | S07 | C06 | 113.0° | 106.4° |
| O09 | S07 | O08 | 103.0° | 123.2° |
| C05 | C04 | C06 | 125.7° | 125.4° |
| C05 | C04 | O03 | 125.8° | 125.4° |
| C04 | C05 | H8 | 109.5° | 109.5° |
| C04 | C05 | H9 | 109.5° | 109.4° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C06 | S07 | O08 | 108.4° | 106.4° |
| S07 | C06 | C04 | 123.9° | 127.0° |
| S07 | C06 | C22 | 128.9° | 127.0° |
| C06 | C04 | O03 | 108.6° | 109.1° |
| C04 | C06 | C22 | 107.3° | 106.0° |
| C04 | O03 | C02 | 109.5° | 110.9° |
| C06 | C22 | C02 | 106.5° | 105.6° |
| C06 | C22 | C23 | 127.8° | 127.2° |
| O25 | C23 | C22 | 120.4° | 120.0° |
| O25 | C23 | O24 | 119.1° | 120.0° |
| O03 | C02 | C22 | 108.2° | 108.4° |
| O03 | C02 | C01 | 125.5° | 125.8° |
| C02 | C22 | C23 | 125.7° | 127.2° |
| C22 | C02 | C01 | 126.4° | 125.8° |
| C22 | C23 | O24 | 120.5° | 120.0° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C23 | O24 | H16 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.7° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H8 | C05 | H10 | 109.5° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C17 | C16 | C15 | O14 | 179.8° | 179.6° |
| C16 | C17 | C18 | H3 | 180.0° | 179.9° |
| C17 | C16 | C15 | C21 | 0.4° | 0.1° |
| C16 | C17 | C18 | F19 | 179.6° | 179.9° |
| C16 | C17 | C18 | C20 | 0.2° | 0.2° |
| C16 | C15 | O14 | C21 | 179.4° | 179.6° |
| C16 | C15 | O14 | C13 | 149.9° | 162.8° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C16 | C15 | C21 | C20 | 0.0° | 0.2° |
| C16 | C15 | C21 | C11 | 178.1° | 179.5° |
| C15 | C16 | C17 | H3 | 179.5° | 180.0° |
| C15 | O14 | C13 | C12 | 17.7° | 49.3° |
| O14 | C15 | C21 | C20 | 179.4° | 179.4° |
| O14 | C15 | C21 | C11 | 1.2° | 0.9° |
| C15 | O14 | C13 | H1 | 139.1° | 169.0° |
| C15 | O14 | C13 | H2 | 103.6° | 70.4° |
| O14 | C15 | C16 | H14 | 0.2° | 0.5° |
| C13 | O14 | C15 | C21 | 30.7° | 17.6° |
| O14 | C13 | C12 | H1 | 121.3° | 119.7° |
| O14 | C13 | C12 | H2 | 121.4° | 119.7° |
| O14 | C13 | C12 | C11 | 25.0° | 64.7° |
| O14 | C13 | H1 | H2 | 115.7° | 120.6° |
| O14 | C13 | C12 | H12 | 145.0° | 175.6° |
| O14 | C13 | C12 | H13 | 95.0° | 55.0° |
| C17 | C18 | F19 | C20 | 179.8° | 180.0° |
| C17 | C18 | C20 | C21 | 0.2° | 0.1° |
| C17 | C18 | C20 | H4 | 179.8° | 180.0° |
| C18 | C17 | C16 | H14 | 179.4° | 179.9° |
| C15 | C21 | C20 | C18 | 0.3° | 0.1° |
| C15 | C21 | C20 | C11 | 178.0° | 179.7° |
| C15 | C21 | C11 | C12 | 43.9° | 18.0° |
| C15 | C21 | C11 | N10 | 178.7° | 138.1° |
| C15 | C21 | C20 | H4 | 179.7° | 179.8° |
| C15 | C21 | C11 | H11 | 68.7° | 102.0° |
| C21 | C15 | C16 | H14 | 179.6° | 179.9° |
| C13 | C12 | C11 | C21 | 53.8° | 48.2° |
| C13 | C12 | C11 | H12 | 120.0° | 119.7° |
| C13 | C12 | C11 | H13 | 120.0° | 119.7° |
| C13 | C12 | C11 | N10 | 176.5° | 168.3° |
| C12 | C13 | H1 | H2 | 115.7° | 120.5° |
| C13 | C12 | C11 | H11 | 58.4° | 71.9° |
| C13 | C12 | H12 | H13 | 119.9° | 120.5° |
| F19 | C18 | C20 | C21 | 180.0° | 180.0° |
| F19 | C18 | C17 | H3 | 0.4° | 0.1° |
| F19 | C18 | C20 | H4 | 0.0° | 0.0° |
| C18 | C20 | C21 | H4 | 180.0° | 179.9° |
| C18 | C20 | C21 | C11 | 178.3° | 179.6° |
| C20 | C18 | C17 | H3 | 179.8° | 179.9° |
| C20 | C21 | C11 | C12 | 137.9° | 162.3° |
| C20 | C21 | C11 | N10 | 3.2° | 42.2° |
| C20 | C21 | C11 | H11 | 109.5° | 77.7° |
| C21 | C11 | C12 | N10 | 129.7° | 120.1° |
| C21 | C11 | C12 | H11 | 112.2° | 120.1° |
| C21 | C11 | N10 | H11 | 112.1° | 119.9° |
| C21 | C11 | N10 | S07 | 103.5° | 125.6° |
| C11 | C21 | C20 | H4 | 1.6° | 0.5° |
| C21 | C11 | C12 | H12 | 173.8° | 167.9° |
| C21 | C11 | C12 | H13 | 66.2° | 71.5° |
| C21 | C11 | N10 | H15 | 19.0° | 54.4° |
| C12 | C11 | N10 | H11 | 117.9° | 119.9° |
| C12 | C11 | N10 | S07 | 26.5° | 114.1° |
| C11 | C12 | C13 | H1 | 96.3° | 175.6° |
| C11 | C12 | C13 | H2 | 146.4° | 55.1° |
| C11 | C12 | H12 | H13 | 119.9° | 120.6° |
| C12 | C11 | N10 | H15 | 149.0° | 65.8° |
| C11 | N10 | S07 | H15 | 122.6° | 179.9° |
| C11 | N10 | S07 | O09 | 25.4° | 179.2° |
| C11 | N10 | S07 | C06 | 101.9° | 65.6° |
| C11 | N10 | S07 | O08 | 138.6° | 47.9° |
| N10 | C11 | C12 | H12 | 56.4° | 72.1° |
| N10 | C11 | C12 | H13 | 63.5° | 48.6° |
| N10 | S07 | O09 | C06 | 126.3° | 114.1° |
| N10 | S07 | O09 | O08 | 117.0° | 122.9° |
| N10 | S07 | C06 | O08 | 119.9° | 113.5° |
| N10 | S07 | C06 | C04 | 117.2° | 90.0° |
| N10 | S07 | C06 | C22 | 62.8° | 89.7° |
| S07 | N10 | C11 | H11 | 144.4° | 5.7° |
| O09 | S07 | C06 | O08 | 113.5° | 132.9° |
| O09 | S07 | C06 | C04 | 9.5° | 23.6° |
| O09 | S07 | C06 | C22 | 170.6° | 156.8° |
| O09 | S07 | N10 | H15 | 147.9° | 0.8° |
| C05 | C04 | C06 | S07 | 0.3° | 0.3° |
| C05 | C04 | C06 | O03 | 179.3° | 179.7° |
| C05 | C04 | C06 | C22 | 179.6° | 180.0° |
| C05 | C04 | O03 | C02 | 179.5° | 179.8° |
| C04 | C05 | H8 | H9 | 120.0° | 120.0° |
| C04 | C05 | H8 | H10 | 120.0° | 120.0° |
| C04 | C05 | H9 | H10 | 120.0° | 120.0° |
| S07 | C06 | C04 | C22 | 180.0° | 179.7° |
| S07 | C06 | C04 | O03 | 179.6° | 180.0° |
| S07 | C06 | C22 | C02 | 179.6° | 179.8° |
| S07 | C06 | C22 | C23 | 0.3° | 0.1° |
| C06 | S07 | N10 | H15 | 20.7° | 114.3° |
| O08 | S07 | C06 | C04 | 122.9° | 156.5° |
| O08 | S07 | C06 | C22 | 57.1° | 23.8° |
| O08 | S07 | N10 | H15 | 98.8° | 132.2° |
| C06 | C04 | O03 | C02 | 0.2° | 0.5° |
| C04 | C06 | C22 | C02 | 0.3° | 0.0° |
| C04 | C06 | C22 | C23 | 179.7° | 179.8° |
| C06 | C04 | C05 | H8 | 179.2° | 90.0° |
| C06 | C04 | C05 | H9 | 60.8° | 150.0° |
| C06 | C04 | C05 | H10 | 59.2° | 30.0° |
| O03 | C04 | C06 | C22 | 0.3° | 0.3° |
| C04 | O03 | C02 | C22 | 0.0° | 0.4° |
| C04 | O03 | C02 | C01 | 179.6° | 179.6° |
| O03 | C04 | C05 | H8 | 0.0° | 89.6° |
| O03 | C04 | C05 | H9 | 120.0° | 30.3° |
| O03 | C04 | C05 | H10 | 120.0° | 150.3° |
| C06 | C22 | C23 | O25 | 13.2° | 90.3° |
| C06 | C22 | C02 | O03 | 0.2° | 0.2° |
| C06 | C22 | C02 | C23 | 179.3° | 179.8° |
| C06 | C22 | C02 | C01 | 179.8° | 179.8° |
| C06 | C22 | C23 | O24 | 165.4° | 89.7° |
| O25 | C23 | C22 | C02 | 166.0° | 90.0° |
| O25 | C23 | C22 | O24 | 178.6° | 180.0° |
| O25 | C23 | O24 | H16 | 0.0° | 0.0° |
| O03 | C02 | C22 | C01 | 179.6° | 180.0° |
| O03 | C02 | C22 | C23 | 179.6° | 180.0° |
| O03 | C02 | C01 | H5 | 0.0° | 90.0° |
| O03 | C02 | C01 | H6 | 120.0° | 30.0° |
| O03 | C02 | C01 | H7 | 120.0° | 150.0° |
| C02 | C22 | C23 | O24 | 15.4° | 90.0° |
| C22 | C02 | C01 | H5 | 179.5° | 90.0° |
| C22 | C02 | C01 | H6 | 60.5° | 150.0° |
| C22 | C02 | C01 | H7 | 59.5° | 30.0° |
| C23 | C22 | C02 | C01 | 0.8° | 0.1° |
| C22 | C23 | O24 | H16 | 178.6° | 180.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| H1 | C13 | C12 | H12 | 23.7° | 55.9° |
| H1 | C13 | C12 | H13 | 143.6° | 64.7° |
| H2 | C13 | C12 | H12 | 93.6° | 64.6° |
| H2 | C13 | C12 | H13 | 26.3° | 174.8° |
| H3 | C17 | C16 | H14 | 0.5° | 0.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H8 | C05 | H9 | H10 | 120.0° | 120.1° |
| H11 | C11 | C12 | H12 | 61.6° | 47.8° |
| H11 | C11 | C12 | H13 | 178.4° | 168.5° |
| H11 | C11 | N10 | H15 | 93.1° | 174.3° |
