ZY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C4 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | doub | 1.35Å | 1.35Å | |
| C4 | C3 | sing | 1.41Å | 1.49Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | O21 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| O21 | C22 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | O20 | sing | 1.36Å | 1.38Å | |
| O20 | C23 | sing | 1.43Å | 1.43Å | |
| C8 | C13 | sing | 1.52Å | 1.51Å | |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| N10 | C9 | doub | 1.30Å | 1.27Å | |
| C9 | C14 | sing | 1.48Å | 1.51Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | N18 | sing | 1.32Å | 1.34Å | Aromatic |
| N18 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C7 | C8 | 126.8° | 120.0° |
| C7 | C4 | C3 | 116.0° | 120.1° |
| C7 | C4 | C5 | 126.2° | 120.2° |
| C4 | C7 | H7 | 116.6° | 120.0° |
| C7 | C8 | C13 | 124.1° | 121.3° |
| C7 | C8 | C9 | 119.7° | 121.3° |
| C8 | C7 | H7 | 116.6° | 120.0° |
| C3 | C4 | C5 | 117.8° | 119.7° |
| C4 | C3 | O21 | 118.1° | 120.1° |
| C4 | C3 | C2 | 119.0° | 119.7° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| O21 | C3 | C2 | 122.9° | 120.2° |
| C3 | O21 | C22 | 121.9° | 117.0° |
| C3 | C2 | C1 | 121.3° | 120.1° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H222 | 109.5° | 109.5° |
| O21 | C22 | H223 | 109.5° | 109.5° |
| C2 | C1 | C6 | 120.1° | 120.2° |
| C2 | C1 | O20 | 117.8° | 119.9° |
| C1 | C2 | H2 | 119.4° | 119.9° |
| C5 | C6 | C1 | 120.8° | 120.3° |
| C6 | C5 | H5 | 119.5° | 120.1° |
| C5 | C6 | H6 | 119.6° | 119.9° |
| C6 | C1 | O20 | 122.1° | 119.9° |
| C1 | C6 | H6 | 119.6° | 119.8° |
| C1 | O20 | C23 | 123.1° | 117.0° |
| O20 | C23 | H231 | 109.5° | 109.4° |
| O20 | C23 | H232 | 109.5° | 109.5° |
| O20 | C23 | H233 | 109.5° | 109.5° |
| C13 | C8 | C9 | 116.0° | 117.5° |
| C8 | C13 | C12 | 107.7° | 106.9° |
| C8 | C13 | H131 | 110.1° | 110.0° |
| C8 | C13 | H132 | 110.5° | 110.0° |
| C8 | C9 | N10 | 117.1° | 120.7° |
| C8 | C9 | C14 | 126.5° | 119.6° |
| C13 | C12 | C11 | 109.2° | 108.9° |
| C12 | C13 | H131 | 110.1° | 109.9° |
| C12 | C13 | H132 | 110.5° | 109.9° |
| C13 | C12 | H121 | 109.6° | 109.6° |
| C13 | C12 | H122 | 109.6° | 109.6° |
| C12 | C11 | N10 | 105.3° | 111.6° |
| C11 | C12 | H121 | 109.6° | 109.6° |
| C11 | C12 | H122 | 109.7° | 109.6° |
| C12 | C11 | H111 | 110.9° | 109.0° |
| C12 | C11 | H112 | 111.8° | 109.1° |
| C11 | N10 | C9 | 129.4° | 124.2° |
| N10 | C11 | H111 | 110.9° | 109.0° |
| N10 | C11 | H112 | 111.8° | 109.1° |
| N10 | C9 | C14 | 116.3° | 119.7° |
| C9 | C14 | C19 | 119.1° | 120.5° |
| C9 | C14 | C15 | 123.3° | 120.6° |
| C19 | C14 | C15 | 117.6° | 118.9° |
| C14 | C19 | N18 | 122.0° | 120.5° |
| C14 | C19 | H19 | 119.0° | 119.7° |
| C14 | C15 | C16 | 119.5° | 118.3° |
| C14 | C15 | H15 | 120.2° | 120.8° |
| C19 | N18 | C17 | 121.1° | 121.9° |
| N18 | C19 | H19 | 119.0° | 119.8° |
| N18 | C17 | C16 | 119.7° | 121.1° |
| N18 | C17 | H17 | 120.2° | 119.5° |
| C17 | C16 | C15 | 120.1° | 119.3° |
| C16 | C17 | H17 | 120.1° | 119.4° |
| C17 | C16 | H16 | 119.9° | 120.4° |
| C15 | C16 | H16 | 120.0° | 120.3° |
| C16 | C15 | H15 | 120.2° | 120.9° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H131 | C13 | H132 | 108.1° | 110.1° |
| H121 | C12 | H122 | 109.2° | 109.6° |
| H111 | C11 | H112 | 106.3° | 109.0° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C7 | C8 | H7 | 180.0° | 179.7° |
| C7 | C4 | C3 | C5 | 176.5° | 179.7° |
| C7 | C4 | C3 | O21 | 3.2° | 0.1° |
| C7 | C4 | C3 | C2 | 176.8° | 180.0° |
| C7 | C4 | C5 | C6 | 175.7° | 180.0° |
| C4 | C7 | C8 | C13 | 9.3° | 7.3° |
| C4 | C7 | C8 | C9 | 175.5° | 172.4° |
| C7 | C4 | C5 | H5 | 4.3° | 0.0° |
| C8 | C7 | C4 | C3 | 145.3° | 142.1° |
| C8 | C7 | C4 | C5 | 30.9° | 38.2° |
| C7 | C8 | C13 | C9 | 175.3° | 179.7° |
| C7 | C8 | C13 | C12 | 141.1° | 139.7° |
| C7 | C8 | C9 | N10 | 164.2° | 169.0° |
| C7 | C8 | C9 | C14 | 18.7° | 10.8° |
| C7 | C8 | C13 | H131 | 21.1° | 20.4° |
| C7 | C8 | C13 | H132 | 98.2° | 101.0° |
| C4 | C3 | O21 | C2 | 180.0° | 180.0° |
| C4 | C3 | O21 | C22 | 167.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.8° | 0.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.3° |
| C3 | C4 | C7 | H7 | 34.7° | 38.2° |
| C4 | C3 | C2 | H2 | 179.2° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.7° |
| C5 | C4 | C3 | O21 | 179.7° | 179.7° |
| C5 | C4 | C3 | C2 | 0.3° | 0.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C5 | C4 | C7 | H7 | 149.1° | 141.4° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| O21 | C3 | C2 | C1 | 179.2° | 180.0° |
| C3 | O21 | C22 | H221 | 32.8° | 180.0° |
| C3 | O21 | C22 | H222 | 152.8° | 60.0° |
| C3 | O21 | C22 | H223 | 87.2° | 60.1° |
| O21 | C3 | C2 | H2 | 0.8° | 0.0° |
| C2 | C3 | O21 | C22 | 12.3° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.3° |
| C3 | C2 | C1 | O20 | 179.3° | 180.0° |
| O21 | C22 | H221 | H222 | 120.0° | 120.0° |
| O21 | C22 | H221 | H223 | 120.0° | 120.0° |
| O21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.3° |
| C2 | C1 | C6 | O20 | 179.8° | 179.8° |
| C2 | C1 | O20 | C23 | 167.2° | 180.0° |
| C2 | C1 | C6 | H6 | 179.7° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | O20 | 179.9° | 180.0° |
| C6 | C1 | O20 | C23 | 12.6° | 0.2° |
| C6 | C1 | C2 | H2 | 179.5° | 179.8° |
| C1 | C6 | C5 | H5 | 179.3° | 180.0° |
| O20 | C1 | C2 | H2 | 0.7° | 0.0° |
| O20 | C1 | C6 | H6 | 0.1° | 0.1° |
| C1 | O20 | C23 | H231 | 10.2° | 60.0° |
| C1 | O20 | C23 | H232 | 109.8° | 60.0° |
| C1 | O20 | C23 | H233 | 130.2° | 180.0° |
| O20 | C23 | H231 | H232 | 120.0° | 120.0° |
| O20 | C23 | H231 | H233 | 120.0° | 120.0° |
| O20 | C23 | H232 | H233 | 120.0° | 120.0° |
| C8 | C13 | C12 | H131 | 120.0° | 119.3° |
| C8 | C13 | C12 | H132 | 120.7° | 119.4° |
| C8 | C13 | C12 | C11 | 63.3° | 60.5° |
| C13 | C8 | C9 | N10 | 20.2° | 11.3° |
| C13 | C8 | C9 | C14 | 156.8° | 168.9° |
| C13 | C8 | C7 | H7 | 170.7° | 173.0° |
| C8 | C13 | H131 | H132 | 120.8° | 121.3° |
| C8 | C13 | C12 | H121 | 56.7° | 59.3° |
| C8 | C13 | C12 | H122 | 176.6° | 179.7° |
| C9 | C8 | C13 | C12 | 43.6° | 40.6° |
| C8 | C9 | N10 | C11 | 17.2° | 1.6° |
| C8 | C9 | N10 | C14 | 177.3° | 179.8° |
| C8 | C9 | C14 | C19 | 119.9° | 143.3° |
| C8 | C9 | C14 | C15 | 63.4° | 36.9° |
| C9 | C8 | C7 | H7 | 4.5° | 7.3° |
| C9 | C8 | C13 | H131 | 163.6° | 159.9° |
| C9 | C8 | C13 | H132 | 77.1° | 78.7° |
| C13 | C12 | C11 | H121 | 120.0° | 119.8° |
| C13 | C12 | C11 | H122 | 120.1° | 119.9° |
| C13 | C12 | C11 | N10 | 56.4° | 53.1° |
| C12 | C13 | H131 | H132 | 120.7° | 121.2° |
| C13 | C12 | H121 | H122 | 120.1° | 120.3° |
| C13 | C12 | C11 | H111 | 176.4° | 173.6° |
| C13 | C12 | C11 | H112 | 65.1° | 67.5° |
| C12 | C11 | N10 | H111 | 120.0° | 120.5° |
| C12 | C11 | N10 | H112 | 121.6° | 120.6° |
| C12 | C11 | N10 | C9 | 35.7° | 23.4° |
| C11 | C12 | C13 | H131 | 176.7° | 179.8° |
| C11 | C12 | C13 | H132 | 57.4° | 58.8° |
| C11 | C12 | H121 | H122 | 120.1° | 120.3° |
| C12 | C11 | H111 | H112 | 121.7° | 119.0° |
| C11 | N10 | C9 | C14 | 160.1° | 178.6° |
| N10 | C11 | C12 | H121 | 63.6° | 66.8° |
| N10 | C11 | C12 | H122 | 176.6° | 172.9° |
| N10 | C11 | H111 | H112 | 121.7° | 119.0° |
| N10 | C9 | C14 | C19 | 63.0° | 36.6° |
| N10 | C9 | C14 | C15 | 113.6° | 143.3° |
| C9 | N10 | C11 | H111 | 155.6° | 143.9° |
| C9 | N10 | C11 | H112 | 85.9° | 97.2° |
| C9 | C14 | C19 | C15 | 176.9° | 179.8° |
| C9 | C14 | C19 | N18 | 178.4° | 180.0° |
| C9 | C14 | C15 | C16 | 178.1° | 179.7° |
| C9 | C14 | C19 | H19 | 1.6° | 0.0° |
| C9 | C14 | C15 | H15 | 1.9° | 0.1° |
| C14 | C19 | N18 | H19 | 180.0° | 180.0° |
| C14 | C19 | N18 | C17 | 0.9° | 0.1° |
| C19 | C14 | C15 | C16 | 1.3° | 0.5° |
| C19 | C14 | C15 | H15 | 178.6° | 179.7° |
| C15 | C14 | C19 | N18 | 1.6° | 0.2° |
| C14 | C15 | C16 | C17 | 0.5° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C15 | C14 | C19 | H19 | 178.4° | 179.8° |
| C14 | C15 | C16 | H16 | 179.5° | 179.8° |
| C19 | N18 | C17 | C16 | 0.1° | 0.0° |
| C19 | N18 | C17 | H17 | 179.9° | 180.0° |
| N18 | C17 | C16 | H17 | 180.0° | 180.0° |
| N18 | C17 | C16 | C15 | 0.3° | 0.3° |
| C17 | N18 | C19 | H19 | 179.1° | 179.9° |
| N18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.7° |
| C17 | C16 | C15 | H15 | 179.5° | 179.7° |
| C15 | C16 | C17 | H17 | 179.7° | 179.7° |
| H221 | C22 | H222 | H223 | 119.9° | 120.0° |
| H5 | C5 | C6 | H6 | 0.7° | 0.0° |
| H131 | C13 | C12 | H121 | 63.3° | 60.0° |
| H131 | C13 | C12 | H122 | 56.6° | 60.3° |
| H132 | C13 | C12 | H121 | 177.5° | 178.7° |
| H132 | C13 | C12 | H122 | 62.7° | 61.0° |
| H121 | C12 | C11 | H111 | 56.4° | 53.8° |
| H121 | C12 | C11 | H112 | 174.8° | 172.7° |
| H122 | C12 | C11 | H111 | 63.4° | 66.6° |
| H122 | C12 | C11 | H112 | 55.0° | 52.4° |
| H17 | C17 | C16 | H16 | 0.2° | 0.0° |
| H16 | C16 | C15 | H15 | 0.5° | 0.1° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
