7Y6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C12 | sing | 1.74Å | 1.76Å | |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.40Å | |
| C14 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| O2 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C19 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | O1 | doub | 1.22Å | 1.31Å | |
| C8 | N1 | sing | 1.35Å | 1.27Å | |
| N | C7 | doub | 1.29Å | 1.33Å | |
| N1 | C7 | sing | 1.38Å | 1.34Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.55Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.38Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | HA | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C12 | C11 | 116.0° | 119.8° |
| CL | C12 | C13 | 119.8° | 119.9° |
| C11 | C12 | C13 | 124.1° | 120.3° |
| C12 | C11 | C10 | 115.7° | 120.3° |
| C12 | C11 | H11 | 122.2° | 119.9° |
| C12 | C13 | C14 | 120.4° | 120.1° |
| C12 | C13 | H13 | 119.7° | 119.9° |
| C11 | C10 | C9 | 120.3° | 119.9° |
| C10 | C11 | H11 | 122.2° | 119.8° |
| C11 | C10 | H10 | 119.8° | 120.1° |
| C10 | C9 | C14 | 124.1° | 119.6° |
| C10 | C9 | C8 | 109.2° | 120.2° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C13 | C14 | O2 | 118.2° | 120.2° |
| C13 | C14 | C9 | 115.4° | 119.7° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| O2 | C14 | C9 | 126.4° | 120.2° |
| C14 | O2 | C15 | 120.9° | 117.0° |
| C14 | C9 | C8 | 126.4° | 120.2° |
| O2 | C15 | C19 | 110.8° | 109.6° |
| O2 | C15 | C16 | 113.9° | 109.5° |
| O2 | C15 | H15 | 109.2° | 109.5° |
| C19 | C15 | C16 | 106.4° | 109.2° |
| C15 | C19 | C18 | 108.0° | 109.2° |
| C19 | C15 | H15 | 108.3° | 109.5° |
| C15 | C19 | H191 | 109.9° | 109.5° |
| C15 | C19 | H192 | 109.8° | 109.5° |
| C15 | C16 | C17 | 111.3° | 109.3° |
| C16 | C15 | H15 | 108.0° | 109.6° |
| C15 | C16 | H161 | 109.0° | 109.5° |
| C15 | C16 | H162 | 109.0° | 109.5° |
| C19 | C18 | N2 | 111.3° | 109.6° |
| C18 | C19 | H191 | 109.8° | 109.6° |
| C18 | C19 | H192 | 109.9° | 109.5° |
| C19 | C18 | H181 | 109.0° | 109.5° |
| C19 | C18 | H182 | 109.0° | 109.4° |
| C18 | N2 | C17 | 115.5° | 111.2° |
| N2 | C18 | H181 | 109.0° | 109.5° |
| N2 | C18 | H182 | 109.0° | 109.5° |
| C18 | N2 | H2 | 108.0° | 111.0° |
| N2 | C17 | C16 | 114.1° | 109.5° |
| C17 | N2 | H2 | 107.9° | 111.0° |
| N2 | C17 | H171 | 108.3° | 109.5° |
| N2 | C17 | H172 | 108.3° | 109.4° |
| C17 | C16 | H161 | 109.0° | 109.5° |
| C17 | C16 | H162 | 109.0° | 109.6° |
| C16 | C17 | H171 | 108.3° | 109.4° |
| C16 | C17 | H172 | 108.3° | 109.5° |
| C9 | C8 | O1 | 110.6° | 120.0° |
| C9 | C8 | N1 | 122.0° | 120.0° |
| O1 | C8 | N1 | 126.1° | 120.0° |
| C8 | N1 | C7 | 125.3° | 120.0° |
| C8 | N1 | H1 | 117.4° | 120.0° |
| N | C7 | N1 | 120.7° | 120.0° |
| N | C7 | C6 | 117.8° | 120.0° |
| C7 | N | H | 112.0° | 120.0° |
| N1 | C7 | C6 | 121.4° | 120.0° |
| C7 | N1 | H1 | 117.4° | 120.0° |
| C7 | C6 | C5 | 107.5° | 109.4° |
| C7 | C6 | H61C | 109.9° | 109.5° |
| C7 | C6 | H62C | 109.9° | 109.5° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C6 | C5 | C20 | 120.5° | 120.0° |
| C5 | C6 | H61C | 109.9° | 109.4° |
| C5 | C6 | H62C | 110.0° | 109.5° |
| C4 | C5 | C20 | 118.7° | 120.1° |
| C5 | C4 | C3 | 121.3° | 120.1° |
| C5 | C4 | H4 | 119.4° | 119.9° |
| C5 | C20 | C1 | 121.2° | 119.9° |
| C5 | C20 | H20 | 119.4° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.1° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C3 | C2 | C1 | 118.2° | 119.9° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C3 | C2 | HA | 120.9° | 120.1° |
| C2 | C1 | C20 | 119.8° | 119.9° |
| C2 | C1 | O | 119.4° | 120.1° |
| C1 | C2 | HA | 120.9° | 120.0° |
| C20 | C1 | O | 120.8° | 120.1° |
| C1 | C20 | H20 | 119.4° | 120.0° |
| C1 | O | C | 120.7° | 117.0° |
| O | C | HC1 | 109.5° | 109.4° |
| O | C | HC2 | 109.5° | 109.4° |
| O | C | HC3 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C12 | C11 | C13 | 178.6° | 179.8° |
| CL | C12 | C11 | C10 | 177.9° | 180.0° |
| CL | C12 | C13 | C14 | 177.8° | 179.9° |
| CL | C12 | C11 | H11 | 2.1° | 0.0° |
| CL | C12 | C13 | H13 | 2.2° | 0.1° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 1.5° | 0.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.2° |
| C11 | C12 | C13 | H13 | 179.2° | 179.7° |
| C12 | C11 | C10 | H10 | 178.5° | 179.9° |
| C13 | C12 | C11 | C10 | 0.7° | 0.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | O2 | 178.5° | 180.0° |
| C12 | C13 | C14 | C9 | 1.6° | 0.1° |
| C13 | C12 | C11 | H11 | 179.3° | 179.8° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 2.6° | 0.3° |
| C11 | C10 | C9 | C8 | 176.1° | 180.0° |
| C10 | C9 | C14 | C13 | 2.5° | 0.4° |
| C10 | C9 | C14 | O2 | 179.2° | 179.7° |
| C10 | C9 | C14 | C8 | 172.4° | 179.7° |
| C10 | C9 | C8 | O1 | 135.3° | 180.0° |
| C10 | C9 | C8 | N1 | 32.3° | 0.0° |
| C9 | C10 | C11 | H11 | 178.5° | 180.0° |
| C13 | C14 | O2 | C9 | 176.5° | 179.9° |
| C13 | C14 | O2 | C15 | 29.9° | 5.5° |
| C13 | C14 | C9 | C8 | 175.0° | 179.9° |
| C14 | O2 | C15 | C19 | 119.3° | 155.1° |
| C14 | O2 | C15 | C16 | 120.7° | 85.2° |
| O2 | C14 | C9 | C8 | 8.4° | 0.0° |
| O2 | C14 | C13 | H13 | 1.5° | 0.1° |
| C14 | O2 | C15 | H15 | 0.2° | 35.0° |
| C9 | C14 | O2 | C15 | 146.6° | 174.4° |
| C14 | C9 | C8 | O1 | 38.0° | 0.2° |
| C14 | C9 | C8 | N1 | 154.4° | 179.7° |
| C9 | C14 | C13 | H13 | 178.4° | 180.0° |
| C14 | C9 | C10 | H10 | 177.4° | 179.8° |
| O2 | C15 | C19 | C16 | 124.3° | 119.9° |
| O2 | C15 | C19 | H15 | 119.7° | 120.1° |
| O2 | C15 | C16 | H15 | 121.5° | 120.1° |
| O2 | C15 | C19 | C18 | 57.1° | 177.5° |
| O2 | C15 | C16 | C17 | 62.5° | 177.5° |
| O2 | C15 | C19 | H191 | 176.9° | 62.5° |
| O2 | C15 | C19 | H192 | 62.7° | 57.6° |
| O2 | C15 | C16 | H161 | 57.8° | 57.7° |
| O2 | C15 | C16 | H162 | 177.2° | 62.4° |
| C19 | C15 | C16 | H15 | 116.1° | 119.9° |
| C15 | C19 | C18 | H191 | 119.8° | 120.0° |
| C15 | C19 | C18 | H192 | 119.8° | 119.9° |
| C15 | C19 | C18 | N2 | 61.8° | 59.2° |
| C19 | C15 | C16 | C17 | 59.9° | 57.6° |
| C15 | C19 | H191 | H192 | 120.7° | 120.0° |
| C19 | C15 | C16 | H161 | 179.9° | 62.3° |
| C19 | C15 | C16 | H162 | 60.4° | 177.6° |
| C15 | C19 | C18 | H181 | 177.9° | 60.9° |
| C15 | C19 | C18 | H182 | 58.4° | 179.2° |
| C16 | C15 | C19 | C18 | 67.2° | 57.6° |
| C15 | C16 | C17 | N2 | 46.7° | 59.1° |
| C15 | C16 | C17 | H161 | 120.3° | 119.9° |
| C15 | C16 | C17 | H162 | 120.3° | 120.0° |
| C16 | C15 | C19 | H191 | 52.6° | 177.6° |
| C16 | C15 | C19 | H192 | 173.0° | 62.3° |
| C15 | C16 | H161 | H162 | 119.2° | 120.1° |
| C15 | C16 | C17 | H171 | 167.4° | 60.9° |
| C15 | C16 | C17 | H172 | 74.0° | 179.2° |
| C19 | C18 | N2 | H181 | 120.3° | 120.1° |
| C19 | C18 | N2 | H182 | 120.3° | 120.0° |
| C19 | C18 | N2 | C17 | 48.1° | 61.8° |
| C18 | C19 | C15 | H15 | 176.9° | 62.3° |
| C18 | C19 | H191 | H192 | 120.7° | 120.2° |
| C19 | C18 | H181 | H182 | 119.2° | 119.9° |
| C19 | C18 | N2 | H2 | 72.8° | 174.2° |
| C18 | N2 | C17 | H2 | 120.9° | 124.1° |
| C18 | N2 | C17 | C16 | 40.7° | 61.7° |
| N2 | C18 | C19 | H191 | 57.9° | 179.1° |
| N2 | C18 | C19 | H192 | 178.4° | 60.7° |
| N2 | C18 | H181 | H182 | 119.1° | 120.0° |
| C18 | N2 | C17 | H171 | 161.4° | 58.3° |
| C18 | N2 | C17 | H172 | 80.0° | 178.2° |
| N2 | C17 | C16 | H171 | 120.7° | 120.0° |
| N2 | C17 | C16 | H172 | 120.7° | 120.0° |
| N2 | C17 | C16 | H161 | 167.0° | 60.7° |
| N2 | C17 | C16 | H162 | 73.6° | 179.1° |
| C17 | N2 | C18 | H181 | 168.4° | 58.3° |
| C17 | N2 | C18 | H182 | 72.2° | 178.2° |
| N2 | C17 | H171 | H172 | 117.9° | 120.0° |
| C17 | C16 | C15 | H15 | 176.0° | 62.3° |
| C17 | C16 | H161 | H162 | 119.1° | 120.1° |
| C16 | C17 | N2 | H2 | 80.3° | 174.2° |
| C16 | C17 | H171 | H172 | 117.9° | 120.0° |
| C9 | C8 | O1 | N1 | 167.0° | 180.0° |
| C9 | C8 | N1 | C7 | 174.0° | 180.0° |
| C8 | C9 | C10 | H10 | 3.8° | 0.0° |
| C9 | C8 | N1 | H1 | 6.0° | 0.0° |
| O1 | C8 | N1 | C7 | 8.4° | 0.0° |
| O1 | C8 | N1 | H1 | 171.6° | 180.0° |
| C8 | N1 | C7 | N | 2.1° | 0.0° |
| C8 | N1 | C7 | H1 | 180.0° | 180.0° |
| C8 | N1 | C7 | C6 | 173.7° | 180.0° |
| N | C7 | N1 | C6 | 175.7° | 180.0° |
| N | C7 | C6 | C5 | 95.9° | 0.0° |
| N | C7 | N1 | H1 | 177.9° | 180.0° |
| N | C7 | C6 | H61C | 23.8° | 119.9° |
| N | C7 | C6 | H62C | 144.4° | 120.0° |
| N1 | C7 | C6 | C5 | 80.0° | 180.0° |
| N1 | C7 | N | H | 175.9° | 179.9° |
| N1 | C7 | C6 | H61C | 160.3° | 60.1° |
| N1 | C7 | C6 | H62C | 39.7° | 60.0° |
| C7 | C6 | C5 | H61C | 119.7° | 120.0° |
| C7 | C6 | C5 | H62C | 119.7° | 120.0° |
| C7 | C6 | C5 | C4 | 70.6° | 90.0° |
| C7 | C6 | C5 | C20 | 107.6° | 90.3° |
| C6 | C7 | N1 | H1 | 6.3° | 0.0° |
| C6 | C7 | N | H | 0.0° | 0.1° |
| C7 | C6 | H61C | H62C | 120.9° | 120.1° |
| C6 | C5 | C4 | C20 | 178.2° | 179.7° |
| C6 | C5 | C4 | C3 | 179.8° | 180.0° |
| C6 | C5 | C20 | C1 | 180.0° | 179.8° |
| C5 | C6 | H61C | H62C | 120.9° | 120.0° |
| C6 | C5 | C4 | H4 | 0.2° | 0.1° |
| C6 | C5 | C20 | H20 | 0.0° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C4 | C5 | C20 | C1 | 1.8° | 0.5° |
| C4 | C5 | C6 | H61C | 49.1° | 29.9° |
| C4 | C5 | C6 | H62C | 169.7° | 149.9° |
| C4 | C5 | C20 | H20 | 178.2° | 179.7° |
| C5 | C4 | C3 | H3 | 178.6° | 179.9° |
| C20 | C5 | C4 | C3 | 1.6° | 0.3° |
| C5 | C20 | C1 | C2 | 1.8° | 0.4° |
| C5 | C20 | C1 | H20 | 180.0° | 179.8° |
| C5 | C20 | C1 | O | 179.5° | 179.7° |
| C20 | C5 | C6 | H61C | 132.7° | 149.7° |
| C20 | C5 | C6 | H62C | 12.1° | 29.7° |
| C20 | C5 | C4 | H4 | 178.4° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.0° |
| C4 | C3 | C2 | HA | 178.6° | 180.0° |
| C3 | C2 | C1 | HA | 180.0° | 180.0° |
| C3 | C2 | C1 | C20 | 1.6° | 0.2° |
| C3 | C2 | C1 | O | 179.3° | 180.0° |
| C2 | C3 | C4 | H4 | 178.6° | 180.0° |
| C2 | C1 | C20 | O | 177.7° | 179.9° |
| C2 | C1 | O | C | 171.2° | 0.0° |
| C2 | C1 | C20 | H20 | 178.2° | 179.8° |
| C1 | C2 | C3 | H3 | 178.6° | 180.0° |
| C20 | C1 | O | C | 11.0° | 179.8° |
| C20 | C1 | C2 | HA | 178.4° | 179.8° |
| O | C1 | C20 | H20 | 0.5° | 0.1° |
| O | C1 | C2 | HA | 0.7° | 0.0° |
| C1 | O | C | HC1 | 180.0° | 60.0° |
| C1 | O | C | HC2 | 60.0° | 60.0° |
| C1 | O | C | HC3 | 60.0° | 180.0° |
| O | C | HC1 | HC2 | 120.0° | 120.0° |
| O | C | HC1 | HC3 | 120.0° | 120.0° |
| O | C | HC2 | HC3 | 120.0° | 120.0° |
| H11 | C11 | C10 | H10 | 1.5° | 0.1° |
| H15 | C15 | C19 | H191 | 63.4° | 57.7° |
| H15 | C15 | C19 | H192 | 57.1° | 177.7° |
| H15 | C15 | C16 | H161 | 63.8° | 177.8° |
| H15 | C15 | C16 | H162 | 55.7° | 57.7° |
| H191 | C19 | C18 | H181 | 62.4° | 59.1° |
| H191 | C19 | C18 | H182 | 178.2° | 60.8° |
| H192 | C19 | C18 | H181 | 58.1° | 179.2° |
| H192 | C19 | C18 | H182 | 61.3° | 59.3° |
| H161 | C16 | C17 | H171 | 72.3° | 179.2° |
| H161 | C16 | C17 | H172 | 46.3° | 59.3° |
| H162 | C16 | C17 | H171 | 47.1° | 59.1° |
| H162 | C16 | C17 | H172 | 165.7° | 60.9° |
| H181 | C18 | N2 | H2 | 47.5° | 65.8° |
| H182 | C18 | N2 | H2 | 166.9° | 54.2° |
| H2 | N2 | C17 | H171 | 40.5° | 65.8° |
| H2 | N2 | C17 | H172 | 159.1° | 54.2° |
| H4 | C4 | C3 | H3 | 1.4° | 0.0° |
| H3 | C3 | C2 | HA | 1.4° | 0.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.1° |
