Y7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| N06 | C05 | doub | 1.31Å | 1.32Å | Aromatic |
| N07 | N06 | sing | 1.28Å | 1.36Å | Aromatic |
| C08 | N07 | sing | 1.47Å | 1.45Å | |
| C03 | C02 | sing | 1.47Å | 1.52Å | |
| N09 | C02 | sing | 1.35Å | 1.45Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | doub | 1.34Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| S15 | C14 | sing | 1.76Å | 1.72Å | Aromatic |
| C16 | C14 | sing | 1.47Å | 1.39Å | |
| O17 | C16 | sing | 1.34Å | 1.34Å | Aromatic |
| N18 | O17 | sing | 1.21Å | 1.36Å | Aromatic |
| C19 | N18 | doub | 1.31Å | 1.32Å | Aromatic |
| N20 | C19 | sing | 1.35Å | 1.33Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.38Å | |
| C22 | C21 | doub | 1.35Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.34Å | 1.39Å | Aromatic |
| S25 | C24 | sing | 1.76Å | 1.72Å | Aromatic |
| C03 | N07 | sing | 1.37Å | 1.32Å | Aromatic |
| C11 | S15 | sing | 1.71Å | 1.72Å | Aromatic |
| C16 | N20 | doub | 1.32Å | 1.33Å | Aromatic |
| C21 | S25 | sing | 1.76Å | 1.72Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.0° | 120.0° |
| O01 | C02 | N09 | 121.6° | 120.0° |
| C03 | C04 | C05 | 106.8° | 105.3° |
| C04 | C03 | C02 | 123.5° | 126.9° |
| C04 | C03 | N07 | 107.7° | 106.2° |
| C03 | C04 | H041 | 126.6° | 127.3° |
| C04 | C05 | N06 | 107.5° | 107.9° |
| C05 | C04 | H041 | 126.6° | 127.3° |
| C04 | C05 | H051 | 126.2° | 126.1° |
| C05 | N06 | N07 | 109.4° | 110.9° |
| N06 | C05 | H051 | 126.3° | 126.0° |
| N06 | N07 | C08 | 125.0° | 125.2° |
| N06 | N07 | C03 | 108.6° | 109.6° |
| C08 | N07 | C03 | 126.4° | 125.2° |
| N07 | C08 | H081 | 109.5° | 109.5° |
| N07 | C08 | H083 | 109.5° | 109.4° |
| N07 | C08 | H082 | 109.5° | 109.5° |
| C03 | C02 | N09 | 118.4° | 120.0° |
| C02 | C03 | N07 | 128.8° | 126.9° |
| C02 | N09 | C10 | 120.9° | 120.0° |
| C02 | N09 | H091 | 119.6° | 120.1° |
| N09 | C10 | C11 | 107.1° | 109.5° |
| N09 | C10 | H101 | 110.1° | 109.5° |
| N09 | C10 | H102 | 110.1° | 109.5° |
| C10 | N09 | H091 | 119.6° | 120.0° |
| C10 | C11 | C12 | 129.6° | 124.5° |
| C10 | C11 | S15 | 125.4° | 124.5° |
| C11 | C10 | H101 | 110.0° | 109.4° |
| C11 | C10 | H102 | 110.1° | 109.4° |
| C11 | C12 | C13 | 116.2° | 115.1° |
| C12 | C11 | S15 | 105.0° | 110.9° |
| C11 | C12 | H121 | 121.9° | 122.4° |
| C12 | C13 | C14 | 115.3° | 113.3° |
| C12 | C13 | H131 | 122.3° | 123.4° |
| C13 | C12 | H121 | 121.9° | 122.5° |
| C13 | C14 | S15 | 105.6° | 109.1° |
| C13 | C14 | C16 | 129.1° | 125.4° |
| C14 | C13 | H131 | 122.4° | 123.4° |
| S15 | C14 | C16 | 125.3° | 125.5° |
| C14 | S15 | C11 | 97.9° | 91.6° |
| C14 | C16 | O17 | 124.5° | 126.6° |
| C14 | C16 | N20 | 128.1° | 126.6° |
| C16 | O17 | N18 | 107.7° | 109.9° |
| O17 | C16 | N20 | 107.4° | 106.9° |
| O17 | N18 | C19 | 107.2° | 110.4° |
| N18 | C19 | N20 | 109.0° | 107.4° |
| N18 | C19 | C21 | 124.3° | 126.3° |
| N20 | C19 | C21 | 126.7° | 126.3° |
| C19 | N20 | C16 | 108.7° | 105.5° |
| C19 | C21 | C22 | 127.6° | 125.3° |
| C19 | C21 | S25 | 126.0° | 125.3° |
| C21 | C22 | C23 | 115.2° | 114.7° |
| C22 | C21 | S25 | 106.4° | 109.5° |
| C21 | C22 | H221 | 122.4° | 122.7° |
| C22 | C23 | C24 | 115.6° | 115.0° |
| C23 | C22 | H221 | 122.4° | 122.6° |
| C22 | C23 | H231 | 122.2° | 122.5° |
| C23 | C24 | S25 | 106.2° | 109.8° |
| C24 | C23 | H231 | 122.2° | 122.5° |
| C23 | C24 | H241 | 126.9° | 125.1° |
| C24 | S25 | C21 | 96.7° | 91.0° |
| S25 | C24 | H241 | 126.9° | 125.2° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 139.5° | 174.2° |
| O01 | C02 | C03 | N09 | 177.8° | 180.0° |
| O01 | C02 | N09 | C10 | 0.1° | 5.1° |
| O01 | C02 | C03 | N07 | 38.5° | 6.1° |
| O01 | C02 | N09 | H091 | 179.9° | 174.9° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | N06 | 0.3° | 0.0° |
| C04 | C03 | N07 | N06 | 0.7° | 0.4° |
| C04 | C03 | N07 | C08 | 180.0° | 179.8° |
| C04 | C03 | C02 | N07 | 178.0° | 179.7° |
| C04 | C03 | C02 | N09 | 38.3° | 5.8° |
| C03 | C04 | C05 | H051 | 179.7° | 180.0° |
| C04 | C05 | N06 | H051 | 180.0° | 180.0° |
| C04 | C05 | N06 | N07 | 0.2° | 0.3° |
| C05 | C04 | C03 | C02 | 178.9° | 180.0° |
| C05 | C04 | C03 | N07 | 0.6° | 0.2° |
| C05 | N06 | N07 | C08 | 179.9° | 179.8° |
| C05 | N06 | N07 | C03 | 0.5° | 0.4° |
| N06 | C05 | C04 | H041 | 179.8° | 180.0° |
| N06 | N07 | C08 | C03 | 179.2° | 179.8° |
| N06 | N07 | C03 | C02 | 178.9° | 179.8° |
| N07 | N06 | C05 | H051 | 179.9° | 179.7° |
| N06 | N07 | C08 | H081 | 0.0° | 85.9° |
| N06 | N07 | C08 | H083 | 120.0° | 34.1° |
| N06 | N07 | C08 | H082 | 120.0° | 154.1° |
| C08 | N07 | C03 | C02 | 1.8° | 0.0° |
| N07 | C08 | H081 | H083 | 120.0° | 120.0° |
| N07 | C08 | H081 | H082 | 120.0° | 120.0° |
| N07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C03 | C02 | N09 | C10 | 177.6° | 174.9° |
| C02 | C03 | C04 | H041 | 1.1° | 0.0° |
| C03 | C02 | N09 | H091 | 2.3° | 5.1° |
| C02 | N09 | C10 | H091 | 180.0° | 180.0° |
| C02 | N09 | C10 | C11 | 86.2° | 180.0° |
| N09 | C02 | C03 | N07 | 143.7° | 174.0° |
| C02 | N09 | C10 | H101 | 33.4° | 60.0° |
| C02 | N09 | C10 | H102 | 154.2° | 60.0° |
| N09 | C10 | C11 | H101 | 119.6° | 120.0° |
| N09 | C10 | C11 | H102 | 119.6° | 120.0° |
| N09 | C10 | C11 | C12 | 127.8° | 90.0° |
| N09 | C10 | C11 | S15 | 50.9° | 89.7° |
| N09 | C10 | H101 | H102 | 121.1° | 120.1° |
| C10 | C11 | C12 | S15 | 178.9° | 179.8° |
| C10 | C11 | C12 | C13 | 179.7° | 180.0° |
| C10 | C11 | S15 | C14 | 179.5° | 179.9° |
| C10 | C11 | C12 | H121 | 0.3° | 0.0° |
| C11 | C10 | H101 | H102 | 121.1° | 119.9° |
| C11 | C10 | N09 | H091 | 93.8° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 0.0° |
| C12 | C11 | S15 | C14 | 0.6° | 0.3° |
| C11 | C12 | C13 | H131 | 179.2° | 180.0° |
| C12 | C11 | C10 | H101 | 112.6° | 149.9° |
| C12 | C11 | C10 | H102 | 8.1° | 30.0° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | S15 | 0.3° | 0.3° |
| C12 | C13 | C14 | C16 | 179.9° | 179.9° |
| C13 | C12 | C11 | S15 | 0.9° | 0.2° |
| C13 | C14 | S15 | C16 | 179.7° | 179.8° |
| C13 | C14 | C16 | O17 | 178.8° | 0.4° |
| C13 | C14 | S15 | C11 | 0.2° | 0.3° |
| C13 | C14 | C16 | N20 | 1.3° | 180.0° |
| C14 | C13 | C12 | H121 | 179.2° | 180.0° |
| S15 | C14 | C16 | O17 | 1.6° | 179.4° |
| S15 | C14 | C16 | N20 | 178.3° | 0.3° |
| S15 | C14 | C13 | H131 | 179.7° | 179.8° |
| C14 | C16 | O17 | N20 | 179.9° | 179.7° |
| C14 | C16 | O17 | N18 | 180.0° | 179.9° |
| C14 | C16 | N20 | C19 | 179.9° | 179.9° |
| C16 | C14 | S15 | C11 | 179.5° | 179.9° |
| C16 | C14 | C13 | H131 | 0.1° | 0.0° |
| C16 | O17 | N18 | C19 | 0.1° | 0.1° |
| O17 | C16 | N20 | C19 | 0.2° | 0.2° |
| O17 | N18 | C19 | N20 | 0.2° | 0.0° |
| O17 | N18 | C19 | C21 | 179.7° | 180.0° |
| N18 | O17 | C16 | N20 | 0.1° | 0.2° |
| N18 | C19 | N20 | C21 | 179.5° | 179.9° |
| N18 | C19 | C21 | C22 | 174.4° | 0.4° |
| N18 | C19 | N20 | C16 | 0.3° | 0.2° |
| N18 | C19 | C21 | S25 | 4.9° | 180.0° |
| N20 | C19 | C21 | C22 | 5.0° | 179.7° |
| N20 | C19 | C21 | S25 | 175.7° | 0.1° |
| C19 | C21 | C22 | S25 | 179.4° | 179.7° |
| C19 | C21 | C22 | C23 | 179.8° | 180.0° |
| C19 | C21 | S25 | C24 | 179.8° | 180.0° |
| C21 | C19 | N20 | C16 | 179.7° | 179.9° |
| C19 | C21 | C22 | H221 | 0.2° | 0.1° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | S25 | C24 | 0.4° | 0.3° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | S25 | 0.1° | 0.2° |
| C23 | C22 | C21 | S25 | 0.4° | 0.3° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C23 | C24 | S25 | H241 | 180.0° | 179.7° |
| C23 | C24 | S25 | C21 | 0.3° | 0.3° |
| C24 | C23 | C22 | H221 | 179.8° | 180.0° |
| S25 | C24 | C23 | H231 | 179.9° | 179.8° |
| N07 | C03 | C04 | H041 | 179.4° | 179.7° |
| C03 | N07 | C08 | H081 | 179.2° | 93.9° |
| C03 | N07 | C08 | H083 | 59.2° | 146.1° |
| C03 | N07 | C08 | H082 | 60.8° | 26.1° |
| S15 | C11 | C12 | H121 | 179.1° | 179.7° |
| S15 | C11 | C10 | H101 | 68.8° | 30.3° |
| S15 | C11 | C10 | H102 | 170.5° | 150.3° |
| S25 | C21 | C22 | H221 | 179.6° | 179.8° |
| C21 | S25 | C24 | H241 | 179.7° | 179.9° |
| H131 | C13 | C12 | H121 | 0.8° | 0.1° |
| H101 | C10 | N09 | H091 | 146.6° | 119.9° |
| H102 | C10 | N09 | H091 | 25.9° | 120.0° |
| H041 | C04 | C05 | H051 | 0.3° | 0.0° |
| H081 | C08 | H083 | H082 | 120.0° | 120.0° |
| H221 | C22 | C23 | H231 | 0.2° | 0.0° |
| H231 | C23 | C24 | H241 | 0.1° | 0.0° |
