A1IZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | sing | 1.55Å | 1.53Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | sing | 1.54Å | 1.54Å | |
| C34 | O4 | doub | 1.21Å | 1.23Å | |
| C34 | N8 | sing | 1.34Å | 1.33Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | N7 | sing | 1.47Å | 1.47Å | |
| C31 | N8 | sing | 1.47Å | 1.46Å | |
| N7 | C29 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C28 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| N5 | C25 | sing | 1.32Å | 1.34Å | Aromatic |
| C27 | O3 | sing | 1.43Å | 1.45Å | |
| O3 | C26 | sing | 1.36Å | 1.37Å | |
| C26 | N6 | doub | 1.32Å | 1.44Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| N6 | C24 | sing | 1.33Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.49Å | |
| CL1 | C1 | sing | 1.74Å | 1.71Å | |
| C23 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.51Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| CL2 | C19 | sing | 1.74Å | 1.70Å | |
| C3 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.55Å | 1.49Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C19 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.48Å | 1.47Å | |
| C7 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
| C15 | N4 | sing | 1.47Å | 1.45Å | |
| C8 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C13 | sing | 1.47Å | 1.43Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N4 | sing | 1.34Å | 1.33Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C10 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C11 | sing | 1.43Å | 1.48Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 1.01Å | 1.00Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| N7 | H19 | sing | 1.01Å | 1.00Å | |
| N8 | H21 | sing | 0.97Å | 1.00Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | C34 | 102.8° | 104.2° |
| C33 | C32 | C31 | 103.0° | 101.8° |
| C33 | C32 | H35 | 111.0° | 110.9° |
| C33 | C32 | H36 | 111.1° | 111.0° |
| C32 | C33 | H37 | 111.1° | 110.5° |
| C32 | C33 | H38 | 111.1° | 110.5° |
| C33 | C34 | O4 | 126.3° | 124.9° |
| C33 | C34 | N8 | 108.2° | 110.1° |
| C34 | C33 | H37 | 111.1° | 110.7° |
| C34 | C33 | H38 | 111.1° | 110.3° |
| C32 | C31 | C30 | 105.8° | 110.3° |
| C32 | C31 | N8 | 99.9° | 105.5° |
| C32 | C31 | H34 | 110.7° | 110.3° |
| C31 | C32 | H35 | 111.1° | 111.0° |
| C31 | C32 | H36 | 111.0° | 111.0° |
| O4 | C34 | N8 | 124.6° | 124.9° |
| C34 | N8 | C31 | 113.2° | 111.3° |
| C34 | N8 | H21 | 123.4° | 124.3° |
| C31 | C30 | N7 | 116.1° | 109.5° |
| C30 | C31 | N8 | 117.0° | 110.2° |
| C31 | C30 | H32 | 107.8° | 109.5° |
| C31 | C30 | H33 | 107.8° | 109.5° |
| C30 | C31 | H34 | 110.8° | 110.2° |
| C30 | N7 | C29 | 127.4° | 111.0° |
| C30 | N7 | H19 | 104.8° | 111.0° |
| N7 | C30 | H32 | 107.8° | 109.5° |
| N7 | C30 | H33 | 107.8° | 109.5° |
| C31 | N8 | H21 | 123.4° | 124.4° |
| N8 | C31 | H34 | 111.8° | 110.2° |
| N7 | C29 | C28 | 121.6° | 109.4° |
| C29 | N7 | H19 | 104.8° | 111.0° |
| N7 | C29 | H30 | 106.4° | 109.4° |
| N7 | C29 | H31 | 106.4° | 109.5° |
| C29 | C28 | N5 | 107.9° | 119.9° |
| C29 | C28 | C26 | 132.4° | 120.0° |
| C28 | C29 | H30 | 106.4° | 109.5° |
| C28 | C29 | H31 | 106.3° | 109.5° |
| N5 | C28 | C26 | 119.7° | 120.1° |
| C28 | N5 | C25 | 121.5° | 120.2° |
| C28 | C26 | O3 | 113.1° | 120.0° |
| C28 | C26 | N6 | 118.2° | 120.0° |
| N5 | C25 | C24 | 122.7° | 120.0° |
| N5 | C25 | H9 | 118.7° | 120.0° |
| C27 | O3 | C26 | 116.0° | 117.0° |
| O3 | C27 | H10 | 109.5° | 109.4° |
| O3 | C27 | H11 | 109.5° | 109.5° |
| O3 | C27 | H12 | 109.4° | 109.5° |
| O3 | C26 | N6 | 128.6° | 120.0° |
| C26 | N6 | C24 | 118.8° | 119.9° |
| C25 | C24 | N6 | 118.8° | 119.9° |
| C25 | C24 | C23 | 119.3° | 120.1° |
| C24 | C25 | H9 | 118.6° | 120.0° |
| N6 | C24 | C23 | 121.4° | 120.1° |
| C24 | C23 | C1 | 125.5° | 120.1° |
| C24 | C23 | C22 | 116.2° | 120.1° |
| CL1 | C1 | C23 | 122.6° | 120.1° |
| CL1 | C1 | C2 | 114.2° | 120.1° |
| C1 | C23 | C22 | 118.2° | 119.8° |
| C23 | C1 | C2 | 123.2° | 119.7° |
| C23 | C22 | C21 | 119.4° | 120.2° |
| C23 | C22 | H8 | 120.3° | 119.8° |
| C1 | C2 | C20 | 116.4° | 119.8° |
| C1 | C2 | C3 | 123.6° | 120.1° |
| C22 | C21 | C20 | 121.1° | 120.3° |
| C22 | C21 | H7 | 119.5° | 119.8° |
| C21 | C22 | H8 | 120.3° | 120.0° |
| C20 | C2 | C3 | 119.9° | 120.1° |
| C2 | C20 | C21 | 121.5° | 120.2° |
| C2 | C20 | H6 | 119.2° | 119.9° |
| C2 | C3 | C19 | 124.2° | 120.1° |
| C2 | C3 | C4 | 119.5° | 120.0° |
| C21 | C20 | H6 | 119.2° | 119.9° |
| C20 | C21 | H7 | 119.5° | 119.9° |
| CL2 | C19 | C3 | 114.4° | 120.1° |
| CL2 | C19 | C7 | 123.1° | 120.2° |
| C19 | C3 | C4 | 116.2° | 119.9° |
| C3 | C19 | C7 | 122.4° | 119.7° |
| C3 | C4 | C5 | 123.0° | 120.1° |
| C3 | C4 | H15 | 118.5° | 120.0° |
| C17 | C16 | C15 | 105.1° | 101.7° |
| C16 | C17 | C18 | 104.1° | 104.2° |
| C17 | C16 | H2 | 110.6° | 111.0° |
| C17 | C16 | H3 | 110.6° | 111.0° |
| C16 | C17 | H4 | 110.8° | 110.5° |
| C16 | C17 | H5 | 110.8° | 110.5° |
| C16 | C15 | C14 | 112.0° | 110.3° |
| C16 | C15 | N4 | 103.7° | 105.5° |
| C16 | C15 | H1 | 110.9° | 110.2° |
| C15 | C16 | H2 | 110.6° | 110.9° |
| C15 | C16 | H3 | 110.6° | 110.9° |
| C19 | C7 | C8 | 124.6° | 120.1° |
| C19 | C7 | C6 | 118.7° | 119.9° |
| C4 | C5 | C6 | 119.7° | 120.3° |
| C5 | C4 | H15 | 118.5° | 119.9° |
| C4 | C5 | H17 | 120.2° | 119.8° |
| N1 | C9 | C8 | 121.3° | 120.0° |
| C9 | N1 | C12 | 119.7° | 120.2° |
| N1 | C9 | H22 | 119.4° | 120.0° |
| C9 | C8 | C7 | 127.3° | 120.1° |
| C9 | C8 | N2 | 118.6° | 119.9° |
| C8 | C9 | H22 | 119.3° | 120.0° |
| C15 | C14 | N3 | 109.4° | 109.5° |
| C14 | C15 | N4 | 106.5° | 110.3° |
| C14 | C15 | H1 | 111.3° | 110.2° |
| C15 | C14 | H28 | 109.5° | 109.5° |
| C15 | C14 | H29 | 109.5° | 109.5° |
| C14 | N3 | C13 | 116.9° | 111.0° |
| C14 | N3 | H13 | 107.6° | 111.0° |
| N3 | C14 | H28 | 109.5° | 109.5° |
| N3 | C14 | H29 | 109.5° | 109.5° |
| C8 | C7 | C6 | 116.3° | 120.1° |
| C7 | C8 | N2 | 113.7° | 120.1° |
| C7 | C6 | C5 | 119.8° | 120.2° |
| C7 | C6 | H18 | 120.1° | 120.0° |
| C17 | C18 | N4 | 109.3° | 110.1° |
| C17 | C18 | O2 | 126.5° | 125.0° |
| C18 | C17 | H4 | 110.8° | 110.5° |
| C18 | C17 | H5 | 110.8° | 110.5° |
| C6 | C5 | H17 | 120.1° | 119.9° |
| C5 | C6 | H18 | 120.1° | 119.9° |
| N1 | C12 | C13 | 114.7° | 119.9° |
| N1 | C12 | C10 | 119.7° | 120.2° |
| C15 | N4 | C18 | 113.2° | 111.3° |
| N4 | C15 | H1 | 112.2° | 110.3° |
| C15 | N4 | H16 | 123.4° | 124.4° |
| C8 | N2 | C10 | 121.1° | 119.8° |
| N3 | C13 | C12 | 119.8° | 109.5° |
| C13 | N3 | H13 | 107.6° | 111.0° |
| N3 | C13 | H26 | 106.8° | 109.4° |
| N3 | C13 | H27 | 106.8° | 109.4° |
| C13 | C12 | C10 | 124.1° | 119.9° |
| C12 | C13 | H26 | 106.8° | 109.5° |
| C12 | C13 | H27 | 106.8° | 109.5° |
| C12 | C10 | N2 | 119.1° | 120.0° |
| C12 | C10 | O1 | 126.2° | 120.0° |
| N4 | C18 | O2 | 124.1° | 124.9° |
| C18 | N4 | H16 | 123.4° | 124.3° |
| N2 | C10 | O1 | 114.8° | 120.0° |
| C10 | O1 | C11 | 119.0° | 117.0° |
| O1 | C11 | H23 | 109.5° | 109.4° |
| O1 | C11 | H24 | 109.5° | 109.4° |
| O1 | C11 | H25 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.5° | 110.9° |
| H4 | C17 | H5 | 109.5° | 110.5° |
| H10 | C27 | H11 | 109.5° | 109.5° |
| H10 | C27 | H12 | 109.5° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.5° |
| H23 | C11 | H25 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H32 | C30 | H33 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.5° | 110.9° |
| H37 | C33 | H38 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | C34 | H37 | 118.9° | 118.8° |
| C32 | C33 | C34 | H38 | 118.9° | 118.6° |
| C33 | C32 | C31 | H35 | 119.0° | 118.1° |
| C33 | C32 | C31 | H36 | 119.0° | 118.2° |
| C32 | C33 | C34 | O4 | 157.6° | 163.8° |
| C32 | C33 | C34 | N8 | 12.2° | 15.8° |
| C33 | C32 | C31 | C30 | 87.1° | 144.4° |
| C33 | C32 | C31 | N8 | 34.8° | 25.4° |
| C33 | C32 | C31 | H34 | 152.8° | 93.6° |
| C33 | C32 | H35 | H36 | 123.0° | 123.8° |
| C32 | C33 | H37 | H38 | 123.1° | 122.6° |
| C34 | C33 | C32 | C31 | 29.4° | 24.6° |
| C33 | C34 | O4 | N8 | 168.2° | 179.5° |
| C33 | C34 | N8 | C31 | 11.6° | 0.8° |
| C33 | C34 | N8 | H21 | 168.4° | 179.4° |
| C34 | C33 | C32 | H35 | 89.6° | 93.6° |
| C34 | C33 | C32 | H36 | 148.3° | 142.7° |
| C34 | C33 | H37 | H38 | 123.1° | 122.5° |
| C32 | C31 | N8 | C34 | 29.8° | 17.2° |
| C32 | C31 | C30 | N8 | 110.2° | 116.1° |
| C32 | C31 | C30 | H34 | 120.0° | 122.1° |
| C32 | C31 | C30 | N7 | 159.8° | 172.5° |
| C32 | C31 | N8 | H34 | 117.1° | 119.1° |
| C32 | C31 | N8 | H21 | 150.2° | 163.0° |
| C32 | C31 | C30 | H32 | 79.3° | 52.5° |
| C32 | C31 | C30 | H33 | 38.8° | 67.5° |
| C31 | C32 | H35 | H36 | 123.0° | 123.8° |
| C31 | C32 | C33 | H37 | 89.5° | 143.5° |
| C31 | C32 | C33 | H38 | 148.3° | 93.9° |
| O4 | C34 | N8 | C31 | 178.4° | 179.6° |
| O4 | C34 | N8 | H21 | 1.6° | 0.2° |
| O4 | C34 | C33 | H37 | 83.5° | 44.9° |
| O4 | C34 | C33 | H38 | 38.7° | 77.7° |
| C34 | N8 | C31 | C30 | 83.8° | 136.3° |
| C34 | N8 | C31 | H21 | 180.0° | 179.8° |
| C34 | N8 | C31 | H34 | 146.9° | 101.8° |
| N8 | C34 | C33 | H37 | 106.7° | 134.7° |
| N8 | C34 | C33 | H38 | 131.2° | 102.7° |
| C31 | C30 | N7 | H32 | 120.9° | 120.0° |
| C31 | C30 | N7 | H33 | 121.0° | 120.0° |
| C30 | C31 | N8 | H34 | 129.3° | 121.9° |
| C31 | C30 | N7 | C29 | 41.7° | 180.0° |
| C31 | C30 | N7 | H19 | 80.7° | 56.0° |
| C30 | C31 | N8 | H21 | 96.3° | 43.9° |
| C31 | C30 | H32 | H33 | 117.0° | 120.0° |
| C30 | C31 | C32 | H35 | 153.9° | 26.3° |
| C30 | C31 | C32 | H36 | 31.8° | 97.4° |
| N7 | C30 | C31 | N8 | 49.6° | 56.4° |
| C30 | N7 | C29 | H19 | 122.4° | 124.0° |
| C30 | N7 | C29 | C28 | 150.8° | 180.0° |
| C30 | N7 | C29 | H30 | 87.5° | 60.1° |
| C30 | N7 | C29 | H31 | 29.1° | 60.0° |
| N7 | C30 | H32 | H33 | 117.0° | 120.0° |
| N7 | C30 | C31 | H34 | 80.2° | 65.4° |
| N8 | C31 | C30 | H32 | 170.5° | 63.6° |
| N8 | C31 | C30 | H33 | 71.4° | 176.5° |
| N8 | C31 | C32 | H35 | 84.1° | 92.7° |
| N8 | C31 | C32 | H36 | 153.8° | 143.5° |
| N7 | C29 | C28 | H30 | 121.7° | 119.9° |
| N7 | C29 | C28 | H31 | 121.7° | 120.0° |
| N7 | C29 | C28 | N5 | 172.9° | 90.0° |
| N7 | C29 | C28 | C26 | 6.3° | 89.8° |
| N7 | C29 | H30 | H31 | 114.5° | 120.0° |
| C29 | N7 | C30 | H32 | 162.6° | 60.0° |
| C29 | N7 | C30 | H33 | 79.3° | 60.0° |
| C29 | C28 | N5 | C26 | 179.3° | 179.8° |
| C29 | C28 | N5 | C25 | 179.3° | 179.9° |
| C29 | C28 | C26 | O3 | 0.9° | 0.1° |
| C29 | C28 | C26 | N6 | 178.7° | 180.0° |
| C28 | C29 | N7 | H19 | 28.4° | 56.0° |
| C28 | C29 | H30 | H31 | 114.5° | 120.1° |
| N5 | C28 | C26 | O3 | 180.0° | 179.7° |
| N5 | C28 | C26 | N6 | 2.2° | 0.2° |
| C28 | N5 | C25 | C24 | 2.4° | 0.1° |
| C28 | N5 | C25 | H9 | 177.6° | 180.0° |
| N5 | C28 | C29 | H30 | 51.2° | 150.0° |
| N5 | C28 | C29 | H31 | 65.4° | 29.9° |
| C26 | C28 | N5 | C25 | 1.4° | 0.3° |
| C28 | C26 | O3 | C27 | 74.9° | 180.0° |
| C28 | C26 | O3 | N6 | 177.5° | 179.9° |
| C28 | C26 | N6 | C24 | 0.8° | 0.0° |
| C26 | C28 | C29 | H30 | 128.0° | 30.1° |
| C26 | C28 | C29 | H31 | 115.4° | 150.2° |
| N5 | C25 | C24 | H9 | 180.0° | 179.9° |
| N5 | C25 | C24 | N6 | 5.4° | 0.2° |
| N5 | C25 | C24 | C23 | 177.6° | 179.9° |
| C27 | O3 | C26 | N6 | 102.6° | 0.1° |
| O3 | C27 | H10 | H11 | 120.0° | 120.0° |
| O3 | C27 | H10 | H12 | 120.0° | 120.0° |
| O3 | C27 | H11 | H12 | 120.0° | 120.0° |
| O3 | C26 | N6 | C24 | 176.6° | 179.9° |
| C26 | O3 | C27 | H10 | 180.0° | 60.1° |
| C26 | O3 | C27 | H11 | 60.0° | 59.9° |
| C26 | O3 | C27 | H12 | 60.0° | 180.0° |
| C26 | N6 | C24 | C25 | 4.4° | 0.2° |
| C26 | N6 | C24 | C23 | 176.4° | 180.0° |
| C25 | C24 | N6 | C23 | 172.0° | 179.8° |
| C25 | C24 | C23 | C1 | 42.9° | 180.0° |
| C25 | C24 | C23 | C22 | 139.8° | 0.2° |
| N6 | C24 | C23 | C1 | 145.2° | 0.3° |
| N6 | C24 | C23 | C22 | 32.1° | 180.0° |
| N6 | C24 | C25 | H9 | 174.6° | 179.8° |
| C24 | C23 | C1 | CL1 | 1.7° | 0.3° |
| C24 | C23 | C1 | C22 | 177.2° | 179.8° |
| C24 | C23 | C1 | C2 | 176.8° | 179.9° |
| C24 | C23 | C22 | C21 | 179.5° | 179.8° |
| C24 | C23 | C22 | H8 | 0.5° | 0.2° |
| C23 | C24 | C25 | H9 | 2.4° | 0.0° |
| CL1 | C1 | C23 | C2 | 178.5° | 179.7° |
| CL1 | C1 | C23 | C22 | 178.9° | 179.9° |
| CL1 | C1 | C2 | C20 | 178.7° | 179.8° |
| CL1 | C1 | C2 | C3 | 4.0° | 0.3° |
| C1 | C23 | C22 | C21 | 3.0° | 0.0° |
| C23 | C1 | C2 | C20 | 2.7° | 0.6° |
| C23 | C1 | C2 | C3 | 174.6° | 180.0° |
| C1 | C23 | C22 | H8 | 177.0° | 179.9° |
| C22 | C23 | C1 | C2 | 0.4° | 0.3° |
| C23 | C22 | C21 | H8 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 4.0° | 0.0° |
| C23 | C22 | C21 | H7 | 176.0° | 180.0° |
| C1 | C2 | C20 | C3 | 177.4° | 179.4° |
| C1 | C2 | C20 | C21 | 1.7° | 0.6° |
| C1 | C2 | C3 | C19 | 112.7° | 65.0° |
| C1 | C2 | C3 | C4 | 72.4° | 115.0° |
| C1 | C2 | C20 | H6 | 178.3° | 179.7° |
| C22 | C21 | C20 | C2 | 1.6° | 0.3° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 178.4° | 180.0° |
| C2 | C20 | C21 | H6 | 180.0° | 179.7° |
| C20 | C2 | C3 | C19 | 70.1° | 115.5° |
| C20 | C2 | C3 | C4 | 104.8° | 64.5° |
| C2 | C20 | C21 | H7 | 178.4° | 179.7° |
| C3 | C2 | C20 | C21 | 175.7° | 180.0° |
| C2 | C3 | C19 | CL2 | 6.7° | 0.3° |
| C2 | C3 | C19 | C4 | 175.0° | 180.0° |
| C2 | C3 | C19 | C7 | 176.9° | 180.0° |
| C2 | C3 | C4 | C5 | 175.7° | 180.0° |
| C3 | C2 | C20 | H6 | 4.3° | 0.3° |
| C2 | C3 | C4 | H15 | 4.3° | 0.0° |
| C20 | C21 | C22 | H8 | 175.9° | 179.9° |
| CL2 | C19 | C3 | C7 | 176.5° | 179.7° |
| CL2 | C19 | C3 | C4 | 178.3° | 179.7° |
| CL2 | C19 | C7 | C8 | 7.4° | 0.0° |
| CL2 | C19 | C7 | C6 | 179.5° | 179.8° |
| C19 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C19 | C7 | C8 | 176.5° | 179.7° |
| C3 | C19 | C7 | C6 | 4.3° | 0.1° |
| C19 | C3 | C4 | H15 | 179.6° | 180.0° |
| C4 | C3 | C19 | C7 | 1.8° | 0.0° |
| C3 | C4 | C5 | H15 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.5° | 0.0° |
| C3 | C4 | C5 | H17 | 178.6° | 180.0° |
| C17 | C16 | C15 | H2 | 119.3° | 118.1° |
| C17 | C16 | C15 | H3 | 119.3° | 118.1° |
| C17 | C16 | C15 | C14 | 134.0° | 93.6° |
| C16 | C17 | C18 | H4 | 119.2° | 118.7° |
| C16 | C17 | C18 | H5 | 119.1° | 118.7° |
| C17 | C16 | C15 | N4 | 19.6° | 25.4° |
| C16 | C17 | C18 | N4 | 15.2° | 16.3° |
| C16 | C17 | C18 | O2 | 166.6° | 163.7° |
| C17 | C16 | C15 | H1 | 101.0° | 144.5° |
| C17 | C16 | H2 | H3 | 122.0° | 123.9° |
| C16 | C17 | H4 | H5 | 122.5° | 122.6° |
| C16 | C15 | C14 | N4 | 112.6° | 116.1° |
| C16 | C15 | C14 | H1 | 124.8° | 121.9° |
| C16 | C15 | C14 | N3 | 175.5° | 172.6° |
| C15 | C16 | C17 | C18 | 20.9° | 24.8° |
| C16 | C15 | N4 | H1 | 119.7° | 119.0° |
| C16 | C15 | N4 | C18 | 10.8° | 17.0° |
| C15 | C16 | H2 | H3 | 122.0° | 123.8° |
| C15 | C16 | C17 | H4 | 140.1° | 93.9° |
| C15 | C16 | C17 | H5 | 98.2° | 143.5° |
| C16 | C15 | N4 | H16 | 169.2° | 163.0° |
| C16 | C15 | C14 | H28 | 64.5° | 67.4° |
| C16 | C15 | C14 | H29 | 55.5° | 52.5° |
| C19 | C7 | C8 | C9 | 19.7° | 179.9° |
| C19 | C7 | C8 | C6 | 172.3° | 179.8° |
| C19 | C7 | C6 | C5 | 5.3° | 0.1° |
| C19 | C7 | C8 | N2 | 153.0° | 0.1° |
| C19 | C7 | C6 | H18 | 174.7° | 179.9° |
| C4 | C5 | C6 | C7 | 3.9° | 0.0° |
| C4 | C5 | C6 | H17 | 180.0° | 180.0° |
| C4 | C5 | C6 | H18 | 176.1° | 180.0° |
| N1 | C9 | C8 | H22 | 180.0° | 179.9° |
| N1 | C9 | C8 | C7 | 177.9° | 179.9° |
| N1 | C9 | C8 | N2 | 5.5° | 0.1° |
| C9 | N1 | C12 | C13 | 172.6° | 179.9° |
| C9 | N1 | C12 | C10 | 6.1° | 0.1° |
| C9 | C8 | C7 | N2 | 172.7° | 180.0° |
| C9 | C8 | C7 | C6 | 168.0° | 0.2° |
| C8 | C9 | N1 | C12 | 0.8° | 0.1° |
| C9 | C8 | N2 | C10 | 3.1° | 0.0° |
| C15 | C14 | N3 | H28 | 120.0° | 120.0° |
| C15 | C14 | N3 | H29 | 120.0° | 120.0° |
| C14 | C15 | N4 | H1 | 122.0° | 121.8° |
| C15 | C14 | N3 | C13 | 110.3° | 180.0° |
| C14 | C15 | N4 | C18 | 129.1° | 102.1° |
| C14 | C15 | C16 | H2 | 106.7° | 24.5° |
| C14 | C15 | C16 | H3 | 14.6° | 148.2° |
| C15 | C14 | N3 | H13 | 10.8° | 56.0° |
| C14 | C15 | N4 | H16 | 50.9° | 77.9° |
| C15 | C14 | H28 | H29 | 120.0° | 120.0° |
| N3 | C14 | C15 | N4 | 62.9° | 56.4° |
| C14 | N3 | C13 | H13 | 121.1° | 124.0° |
| C14 | N3 | C13 | C12 | 75.1° | 180.0° |
| N3 | C14 | C15 | H1 | 59.7° | 65.5° |
| C14 | N3 | C13 | H26 | 46.4° | 60.0° |
| C14 | N3 | C13 | H27 | 163.5° | 60.0° |
| N3 | C14 | H28 | H29 | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 178.1° | 179.8° |
| C7 | C8 | N2 | C10 | 176.5° | 180.0° |
| C8 | C7 | C6 | H18 | 1.9° | 0.3° |
| C7 | C8 | C9 | H22 | 2.1° | 0.0° |
| C7 | C6 | C5 | H18 | 180.0° | 180.0° |
| C6 | C7 | C8 | N2 | 19.3° | 179.8° |
| C7 | C6 | C5 | H17 | 176.1° | 180.0° |
| C17 | C18 | N4 | C15 | 2.6° | 0.4° |
| C17 | C18 | N4 | O2 | 178.3° | 180.0° |
| C18 | C17 | C16 | H2 | 140.3° | 142.9° |
| C18 | C17 | C16 | H3 | 98.4° | 93.3° |
| C18 | C17 | H4 | H5 | 122.5° | 122.6° |
| C17 | C18 | N4 | H16 | 177.4° | 179.6° |
| C6 | C5 | C4 | H15 | 178.5° | 180.0° |
| N1 | C12 | C13 | N3 | 64.7° | 90.0° |
| N1 | C12 | C13 | C10 | 165.9° | 180.0° |
| N1 | C12 | C10 | N2 | 8.3° | 0.1° |
| N1 | C12 | C10 | O1 | 173.0° | 180.0° |
| C12 | N1 | C9 | H22 | 179.2° | 180.0° |
| N1 | C12 | C13 | H26 | 56.8° | 30.0° |
| N1 | C12 | C13 | H27 | 173.9° | 150.1° |
| C15 | N4 | C18 | H16 | 180.0° | 180.0° |
| C15 | N4 | C18 | O2 | 179.1° | 179.6° |
| N4 | C15 | C16 | H2 | 138.9° | 143.6° |
| N4 | C15 | C16 | H3 | 99.7° | 92.7° |
| N4 | C15 | C14 | H28 | 177.1° | 176.4° |
| N4 | C15 | C14 | H29 | 57.1° | 63.6° |
| C8 | N2 | C10 | C12 | 3.6° | 0.0° |
| C8 | N2 | C10 | O1 | 177.6° | 179.9° |
| N2 | C8 | C9 | H22 | 174.5° | 180.0° |
| N3 | C13 | C12 | H26 | 121.4° | 120.0° |
| N3 | C13 | C12 | H27 | 121.4° | 120.0° |
| N3 | C13 | C12 | C10 | 129.4° | 90.0° |
| N3 | C13 | H26 | H27 | 115.3° | 119.9° |
| C13 | N3 | C14 | H28 | 129.6° | 60.0° |
| C13 | N3 | C14 | H29 | 9.6° | 60.0° |
| C13 | C12 | C10 | N2 | 173.5° | 180.0° |
| C13 | C12 | C10 | O1 | 7.8° | 0.1° |
| C12 | C13 | N3 | H13 | 163.8° | 56.0° |
| C12 | C13 | H26 | H27 | 115.3° | 120.1° |
| C12 | C10 | N2 | O1 | 178.9° | 179.9° |
| C12 | C10 | O1 | C11 | 142.7° | 180.0° |
| C10 | C12 | C13 | H26 | 109.1° | 150.0° |
| C10 | C12 | C13 | H27 | 8.0° | 30.0° |
| C18 | N4 | C15 | H1 | 108.9° | 136.0° |
| N4 | C18 | C17 | H4 | 134.4° | 102.4° |
| N4 | C18 | C17 | H5 | 103.9° | 134.9° |
| O2 | C18 | C17 | H4 | 47.4° | 77.6° |
| O2 | C18 | C17 | H5 | 74.3° | 45.0° |
| O2 | C18 | N4 | H16 | 0.8° | 0.4° |
| N2 | C10 | O1 | C11 | 36.1° | 0.1° |
| C10 | O1 | C11 | H23 | 180.0° | 60.0° |
| C10 | O1 | C11 | H24 | 60.0° | 180.0° |
| C10 | O1 | C11 | H25 | 60.0° | 60.0° |
| O1 | C11 | H23 | H24 | 120.0° | 120.0° |
| O1 | C11 | H23 | H25 | 120.0° | 120.0° |
| O1 | C11 | H24 | H25 | 120.0° | 120.0° |
| H1 | C15 | C16 | H2 | 18.3° | 97.4° |
| H1 | C15 | C16 | H3 | 139.7° | 26.3° |
| H1 | C15 | N4 | H16 | 71.1° | 44.0° |
| H1 | C15 | C14 | H28 | 60.4° | 54.5° |
| H1 | C15 | C14 | H29 | 179.6° | 174.5° |
| H2 | C16 | C17 | H4 | 100.6° | 24.2° |
| H2 | C16 | C17 | H5 | 21.1° | 98.4° |
| H3 | C16 | C17 | H4 | 20.8° | 148.0° |
| H3 | C16 | C17 | H5 | 142.5° | 25.4° |
| H6 | C20 | C21 | H7 | 1.7° | 0.0° |
| H7 | C21 | C22 | H8 | 4.1° | 0.1° |
| H10 | C27 | H11 | H12 | 120.0° | 120.0° |
| H13 | N3 | C13 | H26 | 74.7° | 176.0° |
| H13 | N3 | C13 | H27 | 42.4° | 64.0° |
| H13 | N3 | C14 | H28 | 109.3° | 176.0° |
| H13 | N3 | C14 | H29 | 130.7° | 64.0° |
| H15 | C4 | C5 | H17 | 1.5° | 0.0° |
| H17 | C5 | C6 | H18 | 3.9° | 0.0° |
| H19 | N7 | C29 | H30 | 150.1° | 63.9° |
| H19 | N7 | C29 | H31 | 93.3° | 176.0° |
| H19 | N7 | C30 | H32 | 40.3° | 63.9° |
| H19 | N7 | C30 | H33 | 158.4° | 176.1° |
| H21 | N8 | C31 | H34 | 33.1° | 78.0° |
| H23 | C11 | H24 | H25 | 120.0° | 120.0° |
| H32 | C30 | C31 | H34 | 40.7° | 174.6° |
| H33 | C30 | C31 | H34 | 158.8° | 54.6° |
| H34 | C31 | C32 | H35 | 33.8° | 148.3° |
| H34 | C31 | C32 | H36 | 88.3° | 24.6° |
| H35 | C32 | C33 | H37 | 151.5° | 25.4° |
| H35 | C32 | C33 | H38 | 29.3° | 148.0° |
| H36 | C32 | C33 | H37 | 29.4° | 98.4° |
| H36 | C32 | C33 | H38 | 92.7° | 24.3° |
