1AY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL8 | C7 | sing | 1.74Å | 1.77Å | |
| C1 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C3 | doub | 1.33Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.38Å | |
| N25 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| N25 | C23 | sing | 1.32Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C4 | N9 | sing | 1.33Å | 1.36Å | Aromatic |
| C23 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| N9 | C10 | doub | 1.33Å | 1.37Å | Aromatic |
| C21 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | CL2 | sing | 1.74Å | 1.79Å | |
| C10 | N11 | sing | 1.39Å | 1.36Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | N15 | sing | 1.47Å | 1.37Å | |
| C26 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C31 | sing | 1.51Å | 1.52Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| N11 | H7 | sing | 0.97Å | 1.00Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| N15 | H16 | sing | 1.01Å | 1.00Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL8 | C7 | C1 | 119.1° | 120.4° |
| CL8 | C7 | C6 | 119.8° | 120.3° |
| C7 | C1 | N2 | 118.5° | 120.9° |
| C1 | C7 | C6 | 121.0° | 119.4° |
| C7 | C1 | H3 | 120.7° | 119.6° |
| C1 | N2 | C3 | 122.2° | 121.6° |
| N2 | C1 | H3 | 120.8° | 119.5° |
| C7 | C6 | C5 | 119.7° | 118.4° |
| C7 | C6 | H2 | 120.2° | 120.8° |
| N2 | C3 | C5 | 120.3° | 120.6° |
| N2 | C3 | C4 | 119.7° | 119.6° |
| C6 | C5 | C3 | 118.2° | 119.1° |
| C6 | C5 | H1 | 120.9° | 120.4° |
| C5 | C6 | H2 | 120.1° | 120.8° |
| C5 | C3 | C4 | 119.9° | 119.7° |
| C3 | C5 | H1 | 120.9° | 120.5° |
| C3 | C4 | N25 | 117.7° | 119.1° |
| C3 | C4 | N9 | 121.3° | 119.2° |
| C4 | N25 | C23 | 121.8° | 120.9° |
| N25 | C4 | N9 | 121.0° | 121.7° |
| N25 | C23 | C24 | 120.5° | 120.3° |
| N25 | C23 | C21 | 117.9° | 119.3° |
| C24 | C23 | C21 | 121.5° | 120.4° |
| C23 | C24 | H4 | 109.5° | 109.5° |
| C23 | C24 | H5 | 109.5° | 109.5° |
| C23 | C24 | H6 | 109.4° | 109.5° |
| C4 | N9 | C10 | 119.6° | 120.6° |
| C23 | C21 | C10 | 120.9° | 118.5° |
| C23 | C21 | CL2 | 116.9° | 120.8° |
| N9 | C10 | C21 | 118.6° | 119.0° |
| N9 | C10 | N11 | 120.6° | 120.5° |
| C10 | C21 | CL2 | 122.1° | 120.7° |
| C21 | C10 | N11 | 120.8° | 120.5° |
| C10 | N11 | C12 | 123.8° | 120.0° |
| C10 | N11 | H7 | 105.8° | 120.0° |
| N11 | C12 | C13 | 107.1° | 109.5° |
| C12 | N11 | H7 | 105.8° | 120.0° |
| N11 | C12 | H8 | 110.0° | 109.4° |
| N11 | C12 | H9 | 110.1° | 109.4° |
| C12 | C13 | C14 | 115.3° | 109.5° |
| C12 | C13 | N15 | 119.4° | 109.5° |
| C13 | C12 | H8 | 110.1° | 109.5° |
| C13 | C12 | H9 | 110.0° | 109.5° |
| C12 | C13 | H10 | 99.0° | 109.4° |
| C14 | C13 | N15 | 117.4° | 109.5° |
| C13 | C14 | C26 | 121.2° | 120.0° |
| C13 | C14 | C30 | 120.5° | 120.0° |
| C14 | C13 | H10 | 99.2° | 109.5° |
| C13 | N15 | C16 | 124.4° | 111.0° |
| N15 | C13 | H10 | 100.1° | 109.5° |
| C13 | N15 | H16 | 105.6° | 111.0° |
| C14 | C26 | C27 | 120.7° | 120.0° |
| C26 | C14 | C30 | 118.2° | 120.0° |
| C14 | C26 | H11 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C27 | C26 | H11 | 119.7° | 120.0° |
| C26 | C27 | H12 | 119.8° | 120.0° |
| C14 | C30 | C29 | 121.3° | 120.0° |
| C14 | C30 | H15 | 119.4° | 120.0° |
| N15 | C16 | C17 | 114.5° | 109.5° |
| C16 | N15 | H16 | 105.6° | 111.0° |
| N15 | C16 | H18 | 108.2° | 109.5° |
| N15 | C16 | H19 | 108.2° | 109.4° |
| C27 | C28 | C29 | 119.6° | 120.0° |
| C28 | C27 | H12 | 119.8° | 120.0° |
| C27 | C28 | H13 | 120.2° | 120.0° |
| C30 | C29 | C28 | 119.9° | 120.0° |
| C30 | C29 | H14 | 120.0° | 120.0° |
| C29 | C30 | H15 | 119.4° | 120.0° |
| C16 | C17 | C18 | 114.1° | 109.5° |
| C17 | C16 | H18 | 108.2° | 109.5° |
| C17 | C16 | H19 | 108.2° | 109.5° |
| C16 | C17 | H20 | 108.3° | 109.5° |
| C16 | C17 | H21 | 108.3° | 109.4° |
| C29 | C28 | H13 | 120.2° | 120.0° |
| C28 | C29 | H14 | 120.1° | 120.0° |
| C17 | C18 | C19 | 111.6° | 109.4° |
| C18 | C17 | H20 | 108.3° | 109.5° |
| C18 | C17 | H21 | 108.3° | 109.5° |
| C17 | C18 | H22 | 108.9° | 109.5° |
| C17 | C18 | H23 | 108.9° | 109.4° |
| C35 | C36 | C31 | 120.5° | 119.9° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C35 | C36 | H26 | 119.7° | 120.0° |
| C36 | C35 | H27 | 120.0° | 120.0° |
| C36 | C31 | C19 | 121.3° | 120.0° |
| C36 | C31 | C32 | 119.1° | 120.0° |
| C31 | C36 | H26 | 119.8° | 120.0° |
| C18 | C19 | C31 | 113.7° | 109.4° |
| C19 | C18 | H22 | 108.9° | 109.5° |
| C19 | C18 | H23 | 108.9° | 109.5° |
| C18 | C19 | H24 | 108.4° | 109.5° |
| C18 | C19 | H25 | 108.4° | 109.4° |
| C35 | C34 | C33 | 119.8° | 120.0° |
| C34 | C35 | H27 | 120.0° | 120.0° |
| C35 | C34 | H28 | 120.1° | 120.0° |
| C19 | C31 | C32 | 119.6° | 120.0° |
| C31 | C19 | H24 | 108.4° | 109.5° |
| C31 | C19 | H25 | 108.4° | 109.5° |
| C31 | C32 | C33 | 120.6° | 120.0° |
| C31 | C32 | H30 | 119.7° | 120.0° |
| C34 | C33 | C32 | 119.9° | 120.0° |
| C33 | C34 | H28 | 120.1° | 120.0° |
| C34 | C33 | H29 | 120.0° | 120.0° |
| C32 | C33 | H29 | 120.1° | 120.0° |
| C33 | C32 | H30 | 119.7° | 120.0° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H4 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL8 | C7 | C1 | C6 | 177.3° | 179.5° |
| CL8 | C7 | C1 | N2 | 178.3° | 179.7° |
| CL8 | C7 | C6 | C5 | 179.0° | 180.0° |
| CL8 | C7 | C6 | H2 | 1.0° | 0.0° |
| CL8 | C7 | C1 | H3 | 1.7° | 0.0° |
| C7 | C1 | N2 | H3 | 180.0° | 179.7° |
| C7 | C1 | N2 | C3 | 0.1° | 0.5° |
| C1 | C7 | C6 | C5 | 1.7° | 0.5° |
| C1 | C7 | C6 | H2 | 178.3° | 179.5° |
| N2 | C1 | C7 | C6 | 1.0° | 0.8° |
| C1 | N2 | C3 | C5 | 0.4° | 0.0° |
| C1 | N2 | C3 | C4 | 178.9° | 179.7° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C3 | 1.4° | 0.0° |
| C7 | C6 | C5 | H1 | 178.6° | 180.0° |
| C6 | C7 | C1 | H3 | 179.0° | 179.5° |
| N2 | C3 | C5 | C6 | 0.4° | 0.3° |
| N2 | C3 | C5 | C4 | 179.3° | 179.7° |
| N2 | C3 | C4 | N25 | 0.4° | 179.4° |
| N2 | C3 | C4 | N9 | 178.1° | 0.3° |
| N2 | C3 | C5 | H1 | 179.6° | 179.7° |
| C3 | N2 | C1 | H3 | 179.9° | 179.8° |
| C6 | C5 | C3 | H1 | 180.0° | 180.0° |
| C6 | C5 | C3 | C4 | 179.7° | 180.0° |
| C5 | C3 | C4 | N25 | 178.9° | 0.3° |
| C5 | C3 | C4 | N9 | 2.6° | 180.0° |
| C3 | C5 | C6 | H2 | 178.6° | 180.0° |
| C3 | C4 | N25 | N9 | 178.5° | 179.7° |
| C3 | C4 | N25 | C23 | 179.2° | 180.0° |
| C3 | C4 | N9 | C10 | 179.4° | 180.0° |
| C4 | C3 | C5 | H1 | 0.3° | 0.0° |
| C4 | N25 | C23 | C24 | 179.4° | 180.0° |
| C4 | N25 | C23 | C21 | 0.5° | 0.0° |
| N25 | C4 | N9 | C10 | 1.0° | 0.2° |
| N25 | C23 | C24 | C21 | 178.8° | 180.0° |
| C23 | N25 | C4 | N9 | 0.7° | 0.2° |
| N25 | C23 | C21 | C10 | 0.5° | 0.3° |
| N25 | C23 | C21 | CL2 | 178.6° | 180.0° |
| N25 | C23 | C24 | H4 | 0.0° | 90.0° |
| N25 | C23 | C24 | H5 | 120.0° | 150.0° |
| N25 | C23 | C24 | H6 | 120.0° | 30.0° |
| C24 | C23 | C21 | C10 | 179.4° | 179.7° |
| C24 | C23 | C21 | CL2 | 0.3° | 0.0° |
| C23 | C24 | H4 | H5 | 120.0° | 120.0° |
| C23 | C24 | H4 | H6 | 120.0° | 120.1° |
| C23 | C24 | H5 | H6 | 120.0° | 120.1° |
| C4 | N9 | C10 | C21 | 0.9° | 0.0° |
| C4 | N9 | C10 | N11 | 179.5° | 180.0° |
| C23 | C21 | C10 | N9 | 0.7° | 0.3° |
| C23 | C21 | C10 | CL2 | 179.0° | 179.7° |
| C23 | C21 | C10 | N11 | 179.8° | 179.7° |
| C21 | C23 | C24 | H4 | 178.8° | 90.0° |
| C21 | C23 | C24 | H5 | 61.2° | 30.0° |
| C21 | C23 | C24 | H6 | 58.8° | 150.0° |
| N9 | C10 | C21 | N11 | 179.5° | 180.0° |
| N9 | C10 | C21 | CL2 | 178.3° | 180.0° |
| N9 | C10 | N11 | C12 | 1.3° | 0.1° |
| N9 | C10 | N11 | H7 | 120.6° | 180.0° |
| C21 | C10 | N11 | C12 | 179.1° | 180.0° |
| C21 | C10 | N11 | H7 | 58.9° | 0.0° |
| CL2 | C21 | C10 | N11 | 1.2° | 0.0° |
| C10 | N11 | C12 | H7 | 122.0° | 179.9° |
| C10 | N11 | C12 | C13 | 171.4° | 180.0° |
| C10 | N11 | C12 | H8 | 68.9° | 59.9° |
| C10 | N11 | C12 | H9 | 51.8° | 60.0° |
| N11 | C12 | C13 | H8 | 119.6° | 120.0° |
| N11 | C12 | C13 | H9 | 119.6° | 120.0° |
| N11 | C12 | C13 | C14 | 81.3° | 175.0° |
| N11 | C12 | C13 | N15 | 130.4° | 55.0° |
| N11 | C12 | H8 | H9 | 121.1° | 119.9° |
| N11 | C12 | C13 | H10 | 23.4° | 65.0° |
| C12 | C13 | C14 | N15 | 149.0° | 120.0° |
| C12 | C13 | C14 | H10 | 104.5° | 120.0° |
| C12 | C13 | N15 | H10 | 106.4° | 120.0° |
| C12 | C13 | C14 | C26 | 82.5° | 80.3° |
| C12 | C13 | C14 | C30 | 99.0° | 100.0° |
| C12 | C13 | N15 | C16 | 105.5° | 155.0° |
| C13 | C12 | N11 | H7 | 49.5° | 0.0° |
| C13 | C12 | H8 | H9 | 121.1° | 120.1° |
| C12 | C13 | N15 | H16 | 132.4° | 81.1° |
| C14 | C13 | N15 | H10 | 106.0° | 120.0° |
| C13 | C14 | C26 | C30 | 178.5° | 179.7° |
| C13 | C14 | C26 | C27 | 179.6° | 180.0° |
| C14 | C13 | N15 | C16 | 106.8° | 85.0° |
| C13 | C14 | C30 | C29 | 179.6° | 179.8° |
| C14 | C13 | C12 | H8 | 38.3° | 65.0° |
| C14 | C13 | C12 | H9 | 159.1° | 55.0° |
| C13 | C14 | C26 | H11 | 0.4° | 0.0° |
| C13 | C14 | C30 | H15 | 0.3° | 0.0° |
| C14 | C13 | N15 | H16 | 15.2° | 38.9° |
| N15 | C13 | C14 | C26 | 128.5° | 39.7° |
| N15 | C13 | C14 | C30 | 49.9° | 140.0° |
| C13 | N15 | C16 | H16 | 122.0° | 124.0° |
| C13 | N15 | C16 | C17 | 155.8° | 180.0° |
| N15 | C13 | C12 | H8 | 110.0° | 175.0° |
| N15 | C13 | C12 | H9 | 10.8° | 65.0° |
| C13 | N15 | C16 | H18 | 83.5° | 60.0° |
| C13 | N15 | C16 | H19 | 35.0° | 60.0° |
| C14 | C26 | C27 | H11 | 180.0° | 179.9° |
| C14 | C26 | C27 | C28 | 0.6° | 0.0° |
| C26 | C14 | C30 | C29 | 1.1° | 0.5° |
| C26 | C14 | C13 | H10 | 22.1° | 159.8° |
| C14 | C26 | C27 | H12 | 179.4° | 180.0° |
| C26 | C14 | C30 | H15 | 178.8° | 179.8° |
| C27 | C26 | C14 | C30 | 1.1° | 0.3° |
| C26 | C27 | C28 | H12 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H13 | 179.9° | 180.0° |
| C14 | C30 | C29 | H15 | 180.0° | 179.8° |
| C14 | C30 | C29 | C28 | 0.6° | 0.4° |
| C30 | C14 | C13 | H10 | 156.4° | 20.0° |
| C30 | C14 | C26 | H11 | 178.9° | 179.8° |
| C14 | C30 | C29 | H14 | 179.4° | 179.7° |
| N15 | C16 | C17 | H18 | 120.7° | 120.0° |
| N15 | C16 | C17 | H19 | 120.7° | 120.0° |
| N15 | C16 | C17 | C18 | 56.5° | 180.0° |
| C16 | N15 | C13 | H10 | 0.9° | 35.0° |
| N15 | C16 | H18 | H19 | 117.7° | 120.0° |
| N15 | C16 | C17 | H20 | 64.1° | 60.0° |
| N15 | C16 | C17 | H21 | 177.2° | 60.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.2° |
| C27 | C28 | C29 | H13 | 180.0° | 180.0° |
| C28 | C27 | C26 | H11 | 179.4° | 180.0° |
| C27 | C28 | C29 | H14 | 179.9° | 179.9° |
| C30 | C29 | C28 | H14 | 180.0° | 179.9° |
| C30 | C29 | C28 | H13 | 179.9° | 179.8° |
| C16 | C17 | C18 | H20 | 120.7° | 120.0° |
| C16 | C17 | C18 | H21 | 120.7° | 120.0° |
| C16 | C17 | C18 | C19 | 134.5° | 180.0° |
| C17 | C16 | N15 | H16 | 33.7° | 56.0° |
| C17 | C16 | H18 | H19 | 117.7° | 120.0° |
| C16 | C17 | H20 | H21 | 117.9° | 120.0° |
| C16 | C17 | C18 | H22 | 105.2° | 60.0° |
| C16 | C17 | C18 | H23 | 14.2° | 60.1° |
| C29 | C28 | C27 | H12 | 179.9° | 179.9° |
| C28 | C29 | C30 | H15 | 179.3° | 179.8° |
| C17 | C18 | C19 | H22 | 120.3° | 120.0° |
| C17 | C18 | C19 | H23 | 120.3° | 119.9° |
| C17 | C18 | C19 | C31 | 137.6° | 180.0° |
| C18 | C17 | C16 | H18 | 177.3° | 60.0° |
| C18 | C17 | C16 | H19 | 64.2° | 60.0° |
| C18 | C17 | H20 | H21 | 117.9° | 120.0° |
| C17 | C18 | H22 | H23 | 119.0° | 120.0° |
| C17 | C18 | C19 | H24 | 17.0° | 60.0° |
| C17 | C18 | C19 | H25 | 101.8° | 60.0° |
| C35 | C36 | C31 | H26 | 180.0° | 180.0° |
| C36 | C35 | C34 | H27 | 180.0° | 180.0° |
| C35 | C36 | C31 | C19 | 179.9° | 180.0° |
| C35 | C36 | C31 | C32 | 1.0° | 0.3° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C36 | C35 | C34 | H28 | 179.8° | 180.0° |
| C36 | C31 | C19 | C18 | 53.7° | 89.7° |
| C31 | C36 | C35 | C34 | 0.6° | 0.0° |
| C36 | C31 | C19 | C32 | 178.9° | 179.7° |
| C36 | C31 | C32 | C33 | 1.1° | 0.5° |
| C36 | C31 | C19 | H24 | 66.9° | 150.3° |
| C36 | C31 | C19 | H25 | 174.3° | 30.2° |
| C31 | C36 | C35 | H27 | 179.4° | 179.9° |
| C36 | C31 | C32 | H30 | 179.0° | 179.7° |
| C18 | C19 | C31 | H24 | 120.6° | 120.0° |
| C18 | C19 | C31 | H25 | 120.6° | 119.9° |
| C18 | C19 | C31 | C32 | 127.4° | 90.0° |
| C19 | C18 | C17 | H20 | 13.8° | 60.0° |
| C19 | C18 | C17 | H21 | 104.8° | 60.0° |
| C19 | C18 | H22 | H23 | 119.0° | 120.0° |
| C18 | C19 | H24 | H25 | 118.1° | 120.0° |
| C35 | C34 | C33 | H28 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.3° | 0.2° |
| C34 | C35 | C36 | H26 | 179.4° | 180.0° |
| C35 | C34 | C33 | H29 | 179.7° | 179.9° |
| C19 | C31 | C32 | C33 | 180.0° | 179.7° |
| C31 | C19 | C18 | H22 | 102.1° | 60.0° |
| C31 | C19 | C18 | H23 | 17.2° | 60.0° |
| C31 | C19 | H24 | H25 | 118.1° | 120.1° |
| C19 | C31 | C36 | H26 | 0.1° | 0.0° |
| C19 | C31 | C32 | H30 | 0.0° | 0.0° |
| C31 | C32 | C33 | C34 | 0.7° | 0.5° |
| C31 | C32 | C33 | H30 | 180.0° | 179.7° |
| C32 | C31 | C19 | H24 | 112.0° | 30.0° |
| C32 | C31 | C19 | H25 | 6.7° | 150.1° |
| C32 | C31 | C36 | H26 | 179.0° | 179.7° |
| C31 | C32 | C33 | H29 | 179.3° | 179.7° |
| C34 | C33 | C32 | H29 | 180.0° | 179.8° |
| C33 | C34 | C35 | H27 | 179.8° | 180.0° |
| C34 | C33 | C32 | H30 | 179.3° | 179.8° |
| C32 | C33 | C34 | H28 | 179.7° | 179.8° |
| H1 | C5 | C6 | H2 | 1.4° | 0.0° |
| H4 | C24 | H5 | H6 | 120.0° | 119.9° |
| H7 | N11 | C12 | H8 | 169.1° | 120.0° |
| H7 | N11 | C12 | H9 | 70.1° | 120.1° |
| H8 | C12 | C13 | H10 | 143.0° | 55.0° |
| H9 | C12 | C13 | H10 | 96.2° | 175.0° |
| H10 | C13 | N15 | H16 | 121.2° | 159.0° |
| H11 | C26 | C27 | H12 | 0.6° | 0.1° |
| H12 | C27 | C28 | H13 | 0.0° | 0.1° |
| H13 | C28 | C29 | H14 | 0.1° | 0.1° |
| H14 | C29 | C30 | H15 | 0.7° | 0.0° |
| H16 | N15 | C16 | H18 | 154.5° | 176.0° |
| H16 | N15 | C16 | H19 | 87.0° | 64.0° |
| H18 | C16 | C17 | H20 | 56.6° | 180.0° |
| H18 | C16 | C17 | H21 | 62.0° | 60.0° |
| H19 | C16 | C17 | H20 | 175.1° | 60.0° |
| H19 | C16 | C17 | H21 | 56.5° | 180.0° |
| H20 | C17 | C18 | H22 | 134.1° | 180.0° |
| H20 | C17 | C18 | H23 | 106.5° | 59.9° |
| H21 | C17 | C18 | H22 | 15.5° | 60.0° |
| H21 | C17 | C18 | H23 | 134.9° | 180.0° |
| H22 | C18 | C19 | H24 | 137.3° | NaN° |
| H22 | C18 | C19 | H25 | 18.5° | 60.0° |
| H23 | C18 | C19 | H24 | 103.4° | 59.9° |
| H23 | C18 | C19 | H25 | 137.9° | 180.0° |
| H26 | C36 | C35 | H27 | 0.6° | 0.1° |
| H27 | C35 | C34 | H28 | 0.2° | 0.0° |
| H28 | C34 | C33 | H29 | 0.3° | 0.0° |
| H29 | C33 | C32 | H30 | 0.7° | 0.1° |
