YM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C14 | sing | 1.51Å | 1.51Å | |
| C3 | F15 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.49Å | |
| C6 | CL16 | sing | 1.74Å | 1.73Å | |
| C7 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C11 | sing | 1.47Å | 1.51Å | |
| C9 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | O12 | sing | 1.35Å | 1.26Å | |
| C11 | O13 | doub | 1.22Å | 1.26Å | |
| C17 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | N21 | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | N19 | sing | 1.36Å | 1.40Å | Aromatic |
| N19 | C20 | doub | 1.30Å | 1.32Å | Aromatic |
| C20 | N21 | sing | 1.36Å | 1.35Å | Aromatic |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C8 | H24 | sing | 1.08Å | 1.08Å | |
| N21 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.7° | 120.1° |
| C1 | C6 | C5 | 122.0° | 119.9° |
| C1 | C6 | CL16 | 117.9° | 120.0° |
| C6 | C1 | H22 | 119.6° | 120.0° |
| C1 | C2 | C3 | 116.6° | 120.2° |
| C1 | C2 | C14 | 120.5° | 119.9° |
| C2 | C1 | H22 | 119.6° | 119.9° |
| C3 | C2 | C14 | 122.8° | 119.9° |
| C2 | C3 | F15 | 118.3° | 119.9° |
| C2 | C3 | C4 | 123.6° | 120.1° |
| C2 | C14 | H28 | 109.5° | 109.5° |
| C2 | C14 | H29 | 109.5° | 109.4° |
| C2 | C14 | H27 | 109.4° | 109.4° |
| F15 | C3 | C4 | 118.1° | 120.0° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C3 | C4 | H23 | 119.9° | 120.1° |
| C4 | C5 | C6 | 117.0° | 119.8° |
| C4 | C5 | C7 | 119.4° | 120.1° |
| C5 | C4 | H23 | 119.9° | 120.0° |
| C6 | C5 | C7 | 123.7° | 120.1° |
| C5 | C6 | CL16 | 120.1° | 120.1° |
| C5 | C7 | C10 | 120.6° | 119.8° |
| C5 | C7 | C8 | 119.9° | 119.7° |
| C10 | C7 | C8 | 119.2° | 120.5° |
| C7 | C10 | C9 | 121.5° | 120.2° |
| C7 | C10 | H25 | 119.2° | 119.9° |
| C7 | C8 | C18 | 120.1° | 120.0° |
| C7 | C8 | H24 | 119.9° | 120.0° |
| C8 | C18 | C17 | 119.8° | 119.7° |
| C8 | C18 | N19 | 132.1° | 133.4° |
| C18 | C8 | H24 | 119.9° | 120.0° |
| C10 | C9 | C11 | 119.3° | 120.2° |
| C10 | C9 | C17 | 117.9° | 119.7° |
| C9 | C10 | H25 | 119.2° | 119.9° |
| C11 | C9 | C17 | 122.6° | 120.2° |
| C9 | C11 | O12 | 118.1° | 120.0° |
| C9 | C11 | O13 | 117.5° | 120.0° |
| C9 | C17 | C18 | 121.3° | 119.9° |
| C9 | C17 | N21 | 131.4° | 133.9° |
| O12 | C11 | O13 | 124.4° | 120.0° |
| C11 | O12 | H1 | 109.5° | 117.0° |
| C18 | C17 | N21 | 107.2° | 106.1° |
| C17 | C18 | N19 | 108.1° | 106.9° |
| C17 | N21 | C20 | 106.0° | 107.4° |
| C17 | N21 | H30 | 127.0° | 126.3° |
| C18 | N19 | C20 | 104.7° | 109.5° |
| N19 | C20 | N21 | 113.9° | 110.1° |
| N19 | C20 | H31 | 123.1° | 125.0° |
| N21 | C20 | H31 | 123.1° | 125.0° |
| C20 | N21 | H30 | 127.0° | 126.3° |
| H28 | C14 | H29 | 109.4° | 109.5° |
| H28 | C14 | H27 | 109.5° | 109.5° |
| H29 | C14 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H22 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C6 | C1 | C2 | C14 | 178.5° | 180.0° |
| C1 | C6 | C5 | C4 | 2.3° | 0.1° |
| C1 | C6 | C5 | CL16 | 177.4° | 180.0° |
| C1 | C6 | C5 | C7 | 178.7° | 180.0° |
| C1 | C2 | C3 | C14 | 178.5° | 179.9° |
| C1 | C2 | C3 | F15 | 178.2° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | C5 | 1.3° | 0.0° |
| C2 | C1 | C6 | CL16 | 178.8° | 180.0° |
| C1 | C2 | C14 | H28 | 89.3° | 90.0° |
| C1 | C2 | C14 | H29 | 150.7° | 150.0° |
| C1 | C2 | C14 | H27 | 30.7° | 30.0° |
| C2 | C3 | F15 | C4 | 178.2° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C3 | C2 | C1 | H22 | 179.9° | 179.7° |
| C3 | C2 | C14 | H28 | 89.2° | 89.9° |
| C3 | C2 | C14 | H29 | 30.8° | 30.0° |
| C3 | C2 | C14 | H27 | 150.8° | 150.1° |
| C2 | C3 | C4 | H23 | 179.0° | 179.9° |
| C14 | C2 | C3 | F15 | 3.3° | 0.1° |
| C14 | C2 | C3 | C4 | 178.6° | 180.0° |
| C14 | C2 | C1 | H22 | 1.5° | 0.3° |
| C2 | C14 | H28 | H29 | 120.0° | 119.9° |
| C2 | C14 | H28 | H27 | 120.0° | 120.0° |
| C2 | C14 | H29 | H27 | 120.0° | 120.0° |
| F15 | C3 | C4 | C5 | 177.1° | 179.9° |
| F15 | C3 | C4 | H23 | 2.9° | 0.1° |
| C3 | C4 | C5 | H23 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.1° | 0.0° |
| C3 | C4 | C5 | C7 | 178.8° | 180.0° |
| C4 | C5 | C6 | C7 | 179.1° | 179.9° |
| C4 | C5 | C6 | CL16 | 179.7° | 180.0° |
| C4 | C5 | C7 | C10 | 80.3° | 130.0° |
| C4 | C5 | C7 | C8 | 105.8° | 50.0° |
| C6 | C5 | C7 | C10 | 100.7° | 50.0° |
| C6 | C5 | C7 | C8 | 73.3° | 130.0° |
| C5 | C6 | C1 | H22 | 178.7° | 179.7° |
| C6 | C5 | C4 | H23 | 177.9° | 180.0° |
| C7 | C5 | C6 | CL16 | 1.2° | 0.0° |
| C5 | C7 | C10 | C8 | 174.0° | 180.0° |
| C5 | C7 | C8 | C18 | 176.2° | 180.0° |
| C5 | C7 | C10 | C9 | 177.2° | 179.7° |
| C5 | C7 | C10 | H25 | 2.8° | 0.0° |
| C7 | C5 | C4 | H23 | 1.3° | 0.1° |
| C5 | C7 | C8 | H24 | 3.8° | 0.0° |
| CL16 | C6 | C1 | H22 | 1.2° | 0.3° |
| C10 | C7 | C8 | C18 | 2.1° | 0.0° |
| C7 | C10 | C9 | H25 | 180.0° | 179.7° |
| C7 | C10 | C9 | C11 | 179.6° | 179.7° |
| C7 | C10 | C9 | C17 | 3.6° | 0.2° |
| C10 | C7 | C8 | H24 | 177.9° | 180.0° |
| C7 | C8 | C18 | H24 | 180.0° | 180.0° |
| C8 | C7 | C10 | C9 | 3.2° | 0.3° |
| C7 | C8 | C18 | C17 | 1.6° | 0.3° |
| C7 | C8 | C18 | N19 | 179.4° | 179.8° |
| C8 | C7 | C10 | H25 | 176.8° | 180.0° |
| C8 | C18 | C17 | C9 | 2.0° | 0.3° |
| C8 | C18 | C17 | N19 | 178.3° | 180.0° |
| C8 | C18 | C17 | N21 | 178.4° | 180.0° |
| C8 | C18 | N19 | C20 | 178.6° | 180.0° |
| C10 | C9 | C11 | C17 | 175.8° | 180.0° |
| C10 | C9 | C11 | O12 | 3.0° | 0.0° |
| C10 | C9 | C11 | O13 | 175.1° | 180.0° |
| C10 | C9 | C17 | C18 | 3.0° | 0.1° |
| C10 | C9 | C17 | N21 | 178.4° | 179.6° |
| C9 | C11 | O12 | O13 | 178.0° | 180.0° |
| C11 | C9 | C17 | C18 | 178.8° | 179.9° |
| C11 | C9 | C17 | N21 | 5.7° | 0.4° |
| C11 | C9 | C10 | H25 | 0.4° | 0.1° |
| C9 | C11 | O12 | H1 | 178.0° | 180.0° |
| C17 | C9 | C11 | O12 | 178.9° | 180.0° |
| C17 | C9 | C11 | O13 | 0.7° | 0.0° |
| C9 | C17 | C18 | N21 | 176.4° | 179.6° |
| C9 | C17 | C18 | N19 | 179.7° | 179.7° |
| C9 | C17 | N21 | C20 | 177.7° | 179.7° |
| C17 | C9 | C10 | H25 | 176.4° | 179.9° |
| C9 | C17 | N21 | H30 | 2.3° | 0.5° |
| O13 | C11 | O12 | H1 | 0.0° | 0.0° |
| C17 | C18 | N19 | C20 | 3.4° | 0.0° |
| C18 | C17 | N21 | C20 | 1.8° | 0.1° |
| C17 | C18 | C8 | H24 | 178.4° | 179.6° |
| C18 | C17 | N21 | H30 | 178.2° | 180.0° |
| N21 | C17 | C18 | N19 | 3.2° | 0.1° |
| C17 | N21 | C20 | N19 | 0.4° | 0.1° |
| C17 | N21 | C20 | H30 | 180.0° | 179.9° |
| C17 | N21 | C20 | H31 | 179.6° | 180.0° |
| C18 | N19 | C20 | N21 | 2.3° | 0.0° |
| C18 | N19 | C20 | H31 | 177.7° | 180.0° |
| N19 | C18 | C8 | H24 | 0.6° | 0.3° |
| N19 | C20 | N21 | H31 | 180.0° | 179.9° |
| N19 | C20 | N21 | H30 | 179.6° | 180.0° |
| H31 | C20 | N21 | H30 | 0.4° | 0.1° |
| H28 | C14 | H29 | H27 | 120.0° | 120.1° |
