A1ICV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C24 | doub | 1.30Å | 1.29Å | |
| N4 | C25 | sing | 1.36Å | 1.39Å | |
| C24 | N3 | sing | 1.36Å | 1.37Å | |
| C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| N3 | C23 | sing | 1.46Å | 1.47Å | |
| N3 | C31 | sing | 1.35Å | 1.39Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| O2 | C22 | sing | 1.43Å | 1.43Å | |
| C30 | C31 | sing | 1.47Å | 1.45Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C22 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.54Å | 1.50Å | |
| C31 | O3 | doub | 1.22Å | 1.22Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C33 | N2 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| N2 | C20 | sing | 1.47Å | 1.47Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C2 | C13 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N4 | C25 | 117.3° | 121.6° |
| N4 | C24 | N3 | 125.5° | 123.4° |
| N4 | C24 | H28 | 117.2° | 118.3° |
| N4 | C25 | C26 | 118.8° | 121.7° |
| N4 | C25 | C30 | 122.1° | 119.0° |
| C24 | N3 | C23 | 119.2° | 119.7° |
| C24 | N3 | C31 | 120.9° | 120.6° |
| N3 | C24 | H28 | 117.2° | 118.3° |
| C25 | C26 | C27 | 120.2° | 119.7° |
| C26 | C25 | C30 | 119.2° | 119.3° |
| C25 | C26 | H29 | 119.9° | 120.2° |
| C26 | C27 | C28 | 120.5° | 120.8° |
| C27 | C26 | H29 | 119.9° | 120.1° |
| C26 | C27 | H30 | 119.7° | 119.6° |
| C25 | C30 | C31 | 118.7° | 118.0° |
| C25 | C30 | C29 | 120.5° | 120.1° |
| C23 | N3 | C31 | 119.9° | 119.7° |
| N3 | C23 | C22 | 110.6° | 109.5° |
| N3 | C23 | H27 | 109.2° | 109.5° |
| N3 | C23 | H26 | 109.2° | 109.5° |
| N3 | C31 | C30 | 115.4° | 117.4° |
| N3 | C31 | O3 | 120.6° | 121.3° |
| C23 | C22 | O2 | 107.2° | 109.5° |
| C23 | C22 | C32 | 113.3° | 109.4° |
| C23 | C22 | C21 | 115.6° | 109.5° |
| C22 | C23 | H27 | 109.2° | 109.5° |
| C22 | C23 | H26 | 109.2° | 109.5° |
| C27 | C28 | C29 | 120.1° | 120.6° |
| C27 | C28 | H31 | 119.9° | 119.7° |
| C28 | C27 | H30 | 119.8° | 119.6° |
| O2 | C22 | C32 | 103.6° | 109.5° |
| O2 | C22 | C21 | 107.8° | 109.5° |
| C22 | O2 | H25 | 109.5° | 114.0° |
| C31 | C30 | C29 | 120.8° | 121.9° |
| C30 | C31 | O3 | 124.0° | 121.3° |
| C30 | C29 | C28 | 119.5° | 119.5° |
| C30 | C29 | H32 | 120.2° | 120.3° |
| C22 | C32 | C33 | 111.1° | 109.3° |
| C32 | C22 | C21 | 108.5° | 109.5° |
| C22 | C32 | H33 | 109.1° | 109.5° |
| C22 | C32 | H34 | 109.1° | 109.5° |
| C32 | C33 | N2 | 110.1° | 108.7° |
| C33 | C32 | H33 | 109.0° | 109.4° |
| C33 | C32 | H34 | 109.1° | 109.6° |
| C32 | C33 | H35 | 109.3° | 109.6° |
| C32 | C33 | H36 | 109.3° | 109.6° |
| C22 | C21 | C20 | 111.8° | 109.3° |
| C22 | C21 | H24 | 108.9° | 109.5° |
| C22 | C21 | H23 | 108.9° | 109.5° |
| C29 | C28 | H31 | 120.0° | 119.7° |
| C28 | C29 | H32 | 120.2° | 120.3° |
| C33 | N2 | C20 | 114.0° | 118.7° |
| C33 | N2 | C1 | 117.6° | 120.7° |
| N2 | C33 | H35 | 109.3° | 109.6° |
| N2 | C33 | H36 | 109.3° | 109.7° |
| C21 | C20 | N2 | 110.7° | 108.9° |
| C21 | C20 | H22 | 109.1° | 109.6° |
| C21 | C20 | H21 | 109.2° | 109.6° |
| C20 | C21 | H24 | 108.9° | 109.5° |
| C20 | C21 | H23 | 108.9° | 109.5° |
| C20 | N2 | C1 | 128.4° | 120.6° |
| N2 | C20 | H22 | 109.2° | 109.6° |
| N2 | C20 | H21 | 109.1° | 109.6° |
| N2 | C1 | O1 | 117.9° | 120.0° |
| N2 | C1 | C2 | 126.6° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C16 | C17 | H18 | 120.1° | 120.0° |
| C17 | C16 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | H18 | 120.1° | 120.0° |
| C17 | C18 | H19 | 119.9° | 120.0° |
| C16 | C15 | C14 | 120.8° | 120.1° |
| C16 | C15 | H16 | 119.6° | 120.0° |
| C15 | C16 | H17 | 119.9° | 120.0° |
| O1 | C1 | C2 | 115.4° | 120.0° |
| C1 | C2 | C13 | 121.8° | 109.5° |
| C1 | C2 | C3 | 112.2° | 109.5° |
| C1 | C2 | H1 | 105.7° | 109.5° |
| C18 | C19 | C14 | 121.0° | 120.0° |
| C19 | C18 | H19 | 119.9° | 120.0° |
| C18 | C19 | H20 | 119.5° | 120.0° |
| C15 | C14 | C19 | 118.0° | 119.9° |
| C15 | C14 | C13 | 124.0° | 120.0° |
| C14 | C15 | H16 | 119.6° | 120.0° |
| C19 | C14 | C13 | 117.9° | 120.0° |
| C14 | C19 | H20 | 119.5° | 120.0° |
| C14 | C13 | C2 | 117.6° | 109.5° |
| C14 | C13 | C12 | 115.2° | 109.5° |
| C14 | C13 | H15 | 106.3° | 109.5° |
| C13 | C2 | C3 | 104.9° | 109.2° |
| C2 | C13 | C12 | 104.6° | 109.3° |
| C2 | C13 | H15 | 106.1° | 109.5° |
| C13 | C2 | H1 | 105.4° | 109.5° |
| C2 | C3 | C4 | 103.1° | 109.3° |
| C3 | C2 | H1 | 105.5° | 109.6° |
| C2 | C3 | H2 | 111.0° | 109.4° |
| C2 | C3 | H3 | 111.0° | 109.5° |
| C13 | C12 | N1 | 111.3° | 109.5° |
| C12 | C13 | H15 | 106.2° | 109.5° |
| C13 | C12 | H14 | 109.0° | 109.5° |
| C13 | C12 | H13 | 109.0° | 109.5° |
| C3 | C4 | N1 | 114.8° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| C3 | C4 | H5 | 108.1° | 109.4° |
| C4 | C3 | H2 | 111.1° | 109.5° |
| C4 | C3 | H3 | 111.0° | 109.6° |
| C12 | N1 | C4 | 115.2° | 111.2° |
| C12 | N1 | C5 | 110.1° | 111.0° |
| N1 | C12 | H14 | 109.0° | 109.4° |
| N1 | C12 | H13 | 109.0° | 109.5° |
| C4 | N1 | C5 | 109.8° | 111.0° |
| N1 | C4 | H4 | 108.1° | 109.4° |
| N1 | C4 | H5 | 108.1° | 109.5° |
| N1 | C5 | C6 | 113.9° | 109.4° |
| N1 | C5 | H6 | 108.4° | 109.4° |
| N1 | C5 | H7 | 108.3° | 109.5° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C8 | C7 | H8 | 119.8° | 120.0° |
| C7 | C8 | H9 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C9 | C8 | H9 | 119.8° | 120.0° |
| C8 | C9 | H10 | 120.1° | 120.0° |
| C7 | C6 | C5 | 121.0° | 120.0° |
| C7 | C6 | C11 | 118.5° | 120.0° |
| C6 | C7 | H8 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C9 | C10 | H11 | 119.9° | 120.0° |
| C10 | C9 | H10 | 120.1° | 120.0° |
| C5 | C6 | C11 | 120.5° | 120.0° |
| C6 | C5 | H6 | 108.4° | 109.5° |
| C6 | C5 | H7 | 108.4° | 109.5° |
| C6 | C11 | C10 | 120.7° | 120.0° |
| C6 | C11 | H12 | 119.6° | 120.0° |
| C11 | C10 | H11 | 119.9° | 120.0° |
| C10 | C11 | H12 | 119.7° | 120.0° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H22 | C20 | H21 | 109.5° | 109.6° |
| H24 | C21 | H23 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.5° | 109.5° |
| H27 | C23 | H26 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C24 | N3 | H28 | 180.0° | 180.0° |
| C24 | N4 | C25 | C26 | 179.7° | 179.9° |
| C24 | N4 | C25 | C30 | 0.6° | 0.0° |
| N4 | C24 | N3 | C23 | 179.1° | 180.0° |
| N4 | C24 | N3 | C31 | 0.5° | 0.3° |
| C25 | N4 | C24 | N3 | 0.8° | 0.0° |
| N4 | C25 | C26 | C30 | 179.7° | 179.9° |
| N4 | C25 | C26 | C27 | 179.0° | 180.0° |
| N4 | C25 | C30 | C31 | 0.0° | 0.2° |
| N4 | C25 | C30 | C29 | 179.8° | 180.0° |
| C25 | N4 | C24 | H28 | 179.2° | 180.0° |
| N4 | C25 | C26 | H29 | 1.0° | 0.1° |
| C24 | N3 | C23 | C31 | 178.7° | 179.7° |
| C24 | N3 | C23 | C22 | 85.2° | 90.3° |
| C24 | N3 | C31 | C30 | 0.1° | 0.5° |
| C24 | N3 | C31 | O3 | 179.1° | 179.7° |
| C24 | N3 | C23 | H27 | 154.7° | 29.7° |
| C24 | N3 | C23 | H26 | 35.0° | 149.7° |
| C25 | C26 | C27 | H29 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.9° | 0.0° |
| C26 | C25 | C30 | C31 | 179.8° | 179.7° |
| C26 | C25 | C30 | C29 | 0.5° | 0.1° |
| C25 | C26 | C27 | H30 | 179.1° | 180.0° |
| C27 | C26 | C25 | C30 | 1.3° | 0.1° |
| C26 | C27 | C28 | H30 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.3° | 0.0° |
| C26 | C27 | C28 | H31 | 179.7° | 180.0° |
| C25 | C30 | C31 | N3 | 0.3° | 0.5° |
| C25 | C30 | C31 | C29 | 179.7° | 179.7° |
| C25 | C30 | C31 | O3 | 179.2° | 179.7° |
| C25 | C30 | C29 | C28 | 0.7° | 0.0° |
| C30 | C25 | C26 | H29 | 178.7° | 180.0° |
| C25 | C30 | C29 | H32 | 179.3° | 180.0° |
| N3 | C23 | C22 | H27 | 120.1° | 120.0° |
| N3 | C23 | C22 | H26 | 120.2° | 120.0° |
| N3 | C23 | C22 | O2 | 46.3° | 65.0° |
| C23 | N3 | C31 | C30 | 178.5° | 179.8° |
| N3 | C23 | C22 | C32 | 159.9° | 54.9° |
| C23 | N3 | C31 | O3 | 0.5° | 0.0° |
| N3 | C23 | C22 | C21 | 74.0° | 175.0° |
| C23 | N3 | C24 | H28 | 0.9° | 0.0° |
| N3 | C23 | H27 | H26 | 119.5° | 120.0° |
| C31 | N3 | C23 | C22 | 93.5° | 90.0° |
| N3 | C31 | C30 | O3 | 178.9° | 179.8° |
| N3 | C31 | C30 | C29 | 179.4° | 179.8° |
| C31 | N3 | C24 | H28 | 179.5° | 179.8° |
| C31 | N3 | C23 | H27 | 26.7° | 150.0° |
| C31 | N3 | C23 | H26 | 146.3° | 30.1° |
| C23 | C22 | O2 | C32 | 120.1° | 120.0° |
| C23 | C22 | O2 | C21 | 125.0° | 120.0° |
| C23 | C22 | C32 | C21 | 129.8° | 120.0° |
| C23 | C22 | C32 | C33 | 172.6° | 178.7° |
| C23 | C22 | C21 | C20 | 175.8° | 178.6° |
| C23 | C22 | C21 | H24 | 55.4° | 61.4° |
| C23 | C22 | C21 | H23 | 63.9° | 58.7° |
| C23 | C22 | O2 | H25 | 180.0° | 60.0° |
| C22 | C23 | H27 | H26 | 119.5° | 120.0° |
| C23 | C22 | C32 | H33 | 67.2° | 61.4° |
| C23 | C22 | C32 | H34 | 52.3° | 58.6° |
| C27 | C28 | C29 | C30 | 1.1° | 0.0° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| C28 | C27 | C26 | H29 | 179.1° | 180.0° |
| C27 | C28 | C29 | H32 | 178.9° | 180.0° |
| O2 | C22 | C32 | C21 | 114.4° | 120.0° |
| O2 | C22 | C32 | C33 | 56.8° | 58.8° |
| O2 | C22 | C21 | C20 | 55.9° | 58.7° |
| O2 | C22 | C21 | H24 | 64.4° | 178.6° |
| O2 | C22 | C21 | H23 | 176.3° | 61.3° |
| O2 | C22 | C23 | H27 | 166.4° | 55.0° |
| O2 | C22 | C23 | H26 | 73.9° | 174.9° |
| O2 | C22 | C32 | H33 | 177.0° | 178.6° |
| O2 | C22 | C32 | H34 | 63.5° | 61.3° |
| C31 | C30 | C29 | C28 | 179.0° | 179.7° |
| C31 | C30 | C29 | H32 | 1.0° | 0.2° |
| C29 | C30 | C31 | O3 | 0.5° | 0.0° |
| C30 | C29 | C28 | H32 | 180.0° | 180.0° |
| C30 | C29 | C28 | H31 | 178.9° | 180.0° |
| C22 | C32 | C33 | H33 | 120.2° | 119.9° |
| C22 | C32 | C33 | H34 | 120.3° | 120.0° |
| C22 | C32 | C33 | N2 | 57.7° | 54.6° |
| C32 | C22 | C21 | C20 | 55.7° | 61.4° |
| C32 | C22 | C21 | H24 | 176.0° | 58.6° |
| C32 | C22 | C21 | H23 | 64.7° | 178.7° |
| C32 | C22 | O2 | H25 | 60.0° | 59.9° |
| C32 | C22 | C23 | H27 | 79.9° | 175.0° |
| C32 | C22 | C23 | H26 | 39.7° | 65.1° |
| C22 | C32 | H33 | H34 | 119.3° | 120.0° |
| C22 | C32 | C33 | H35 | 177.8° | 65.2° |
| C22 | C32 | C33 | H36 | 62.4° | 174.4° |
| C33 | C32 | C22 | C21 | 57.7° | 61.3° |
| C32 | C33 | N2 | H35 | 120.1° | 119.8° |
| C32 | C33 | N2 | H36 | 120.1° | 119.8° |
| C32 | C33 | N2 | C20 | 56.2° | 53.5° |
| C32 | C33 | N2 | C1 | 125.1° | 126.5° |
| C33 | C32 | H33 | H34 | 119.3° | 120.2° |
| C32 | C33 | H35 | H36 | 119.7° | 120.3° |
| C22 | C21 | C20 | H24 | 120.4° | 119.9° |
| C22 | C21 | C20 | H23 | 120.3° | 120.0° |
| C22 | C21 | C20 | N2 | 53.9° | 54.7° |
| C22 | C21 | C20 | H22 | 66.3° | 65.1° |
| C22 | C21 | C20 | H21 | 174.0° | 174.6° |
| C22 | C21 | H24 | H23 | 118.9° | 120.1° |
| C21 | C22 | O2 | H25 | 55.0° | 180.0° |
| C21 | C22 | C23 | H27 | 46.2° | 65.0° |
| C21 | C22 | C23 | H26 | 165.8° | 54.9° |
| C21 | C22 | C32 | H33 | 62.6° | 58.6° |
| C21 | C22 | C32 | H34 | 177.9° | 178.6° |
| C29 | C28 | C27 | H30 | 179.7° | 180.0° |
| C33 | N2 | C20 | C21 | 54.2° | 53.7° |
| C33 | N2 | C20 | C1 | 178.5° | 180.0° |
| C33 | N2 | C1 | O1 | 12.9° | 175.4° |
| C33 | N2 | C1 | C2 | 167.4° | 4.6° |
| C33 | N2 | C20 | H22 | 66.0° | 66.2° |
| C33 | N2 | C20 | H21 | 174.4° | 173.6° |
| N2 | C33 | C32 | H33 | 62.5° | 65.3° |
| N2 | C33 | C32 | H34 | 177.9° | 174.6° |
| N2 | C33 | H35 | H36 | 119.7° | 120.5° |
| C21 | C20 | N2 | H22 | 120.2° | 119.9° |
| C21 | C20 | N2 | H21 | 120.2° | 119.8° |
| C21 | C20 | N2 | C1 | 127.3° | 126.3° |
| C21 | C20 | H22 | H21 | 119.4° | 120.3° |
| C20 | C21 | H24 | H23 | 118.9° | 120.1° |
| C20 | N2 | C1 | O1 | 165.6° | 4.6° |
| C20 | N2 | C1 | C2 | 14.1° | 175.4° |
| N2 | C20 | H22 | H21 | 119.4° | 120.3° |
| N2 | C20 | C21 | H24 | 174.2° | 65.2° |
| N2 | C20 | C21 | H23 | 66.5° | 174.7° |
| C20 | N2 | C33 | H35 | 176.3° | 66.3° |
| C20 | N2 | C33 | H36 | 63.9° | 173.3° |
| N2 | C1 | O1 | C2 | 179.7° | 180.0° |
| N2 | C1 | C2 | C13 | 50.3° | 155.6° |
| N2 | C1 | C2 | C3 | 75.1° | 84.6° |
| C1 | N2 | C20 | H22 | 112.6° | 113.8° |
| C1 | N2 | C20 | H21 | 7.1° | 6.5° |
| N2 | C1 | C2 | H1 | 170.4° | 35.5° |
| C1 | N2 | C33 | H35 | 5.0° | 113.7° |
| C1 | N2 | C33 | H36 | 114.8° | 6.7° |
| C16 | C17 | C18 | H18 | 180.0° | 179.4° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.9° |
| C17 | C16 | C15 | C14 | 0.7° | 0.0° |
| C17 | C16 | C15 | H16 | 179.3° | 179.7° |
| C16 | C17 | C18 | H19 | 179.6° | 180.0° |
| C18 | C17 | C16 | C15 | 1.2° | 0.6° |
| C17 | C18 | C19 | H19 | 180.0° | 179.1° |
| C17 | C18 | C19 | C14 | 0.8° | 0.6° |
| C18 | C17 | C16 | H17 | 178.8° | 179.4° |
| C17 | C18 | C19 | H20 | 179.2° | 180.0° |
| C16 | C15 | C14 | H16 | 180.0° | 179.7° |
| C16 | C15 | C14 | C19 | 0.4° | 0.3° |
| C16 | C15 | C14 | C13 | 178.9° | 179.7° |
| C15 | C16 | C17 | H18 | 178.8° | 180.0° |
| O1 | C1 | C2 | C13 | 130.0° | 24.3° |
| O1 | C1 | C2 | C3 | 104.6° | 95.4° |
| O1 | C1 | C2 | H1 | 10.0° | 144.4° |
| C1 | C2 | C13 | C14 | 27.3° | 62.5° |
| C1 | C2 | C13 | C3 | 128.7° | 119.9° |
| C1 | C2 | C13 | H1 | 120.2° | 120.1° |
| C1 | C2 | C3 | H1 | 114.7° | 120.1° |
| C1 | C2 | C13 | C12 | 156.6° | 177.5° |
| C1 | C2 | C3 | C4 | 154.2° | 177.5° |
| C1 | C2 | C13 | H15 | 91.4° | 57.6° |
| C1 | C2 | C3 | H2 | 35.2° | 57.6° |
| C1 | C2 | C3 | H3 | 86.9° | 62.5° |
| C18 | C19 | C14 | C15 | 1.2° | 0.0° |
| C18 | C19 | C14 | H20 | 180.0° | 179.4° |
| C18 | C19 | C14 | C13 | 178.2° | 180.0° |
| C19 | C18 | C17 | H18 | 179.6° | 179.7° |
| C15 | C14 | C19 | C13 | 179.4° | 180.0° |
| C15 | C14 | C13 | C2 | 40.1° | 120.2° |
| C15 | C14 | C13 | C12 | 83.9° | 120.0° |
| C15 | C14 | C13 | H15 | 158.7° | 0.1° |
| C14 | C15 | C16 | H17 | 179.3° | 180.0° |
| C15 | C14 | C19 | H20 | 178.8° | 179.4° |
| C19 | C14 | C13 | C2 | 139.2° | 59.8° |
| C19 | C14 | C13 | C12 | 96.8° | 60.0° |
| C19 | C14 | C13 | H15 | 20.6° | 179.9° |
| C19 | C14 | C15 | H16 | 179.5° | 180.0° |
| C14 | C19 | C18 | H19 | 179.2° | 179.7° |
| C14 | C13 | C2 | C12 | 129.2° | 120.0° |
| C14 | C13 | C2 | H15 | 118.8° | 120.1° |
| C14 | C13 | C2 | C3 | 156.0° | 177.6° |
| C14 | C13 | C12 | H15 | 117.4° | 120.1° |
| C14 | C13 | C12 | N1 | 170.0° | 179.2° |
| C13 | C14 | C15 | H16 | 1.1° | 0.0° |
| C14 | C13 | C2 | H1 | 92.8° | 57.6° |
| C14 | C13 | C12 | H14 | 49.7° | 59.2° |
| C14 | C13 | C12 | H13 | 69.8° | 60.8° |
| C13 | C14 | C19 | H20 | 1.8° | 0.6° |
| C13 | C2 | C3 | H1 | 111.1° | 120.0° |
| C2 | C13 | C12 | H15 | 111.9° | 119.9° |
| C13 | C2 | C3 | C4 | 71.6° | 57.6° |
| C2 | C13 | C12 | N1 | 59.4° | 59.2° |
| C13 | C2 | C3 | H2 | 169.4° | 62.3° |
| C13 | C2 | C3 | H3 | 47.4° | 177.6° |
| C2 | C13 | C12 | H14 | 179.7° | 60.8° |
| C2 | C13 | C12 | H13 | 60.9° | 179.2° |
| C3 | C2 | C13 | C12 | 74.7° | 57.6° |
| C2 | C3 | C4 | H2 | 119.0° | 119.9° |
| C2 | C3 | C4 | H3 | 119.0° | 120.0° |
| C2 | C3 | C4 | N1 | 56.7° | 59.2° |
| C2 | C3 | C4 | H4 | 64.1° | 179.2° |
| C2 | C3 | C4 | H5 | 177.5° | 60.9° |
| C3 | C2 | C13 | H15 | 37.3° | 62.3° |
| C2 | C3 | H2 | H3 | 123.0° | 120.1° |
| C13 | C12 | N1 | H14 | 120.2° | 120.0° |
| C13 | C12 | N1 | H13 | 120.3° | 120.0° |
| C13 | C12 | N1 | C4 | 45.2° | 61.7° |
| C13 | C12 | N1 | C5 | 170.0° | 174.2° |
| C12 | C13 | C2 | H1 | 36.4° | 62.4° |
| C13 | C12 | H14 | H13 | 119.2° | 120.0° |
| C3 | C4 | N1 | C12 | 45.0° | 61.7° |
| C3 | C4 | N1 | H4 | 120.8° | 120.0° |
| C3 | C4 | N1 | H5 | 120.8° | 120.0° |
| C3 | C4 | N1 | C5 | 169.9° | 174.2° |
| C3 | C4 | H4 | H5 | 117.6° | 119.9° |
| C4 | C3 | C2 | H1 | 39.5° | 62.3° |
| C4 | C3 | H2 | H3 | 123.0° | 120.2° |
| C12 | N1 | C4 | C5 | 124.9° | 124.1° |
| C12 | N1 | C5 | C6 | 99.5° | 169.7° |
| C12 | N1 | C4 | H4 | 75.8° | 178.2° |
| C12 | N1 | C4 | H5 | 165.8° | 58.3° |
| C12 | N1 | C5 | H6 | 139.8° | 49.7° |
| C12 | N1 | C5 | H7 | 21.1° | 70.3° |
| N1 | C12 | C13 | H15 | 52.5° | 60.8° |
| N1 | C12 | H14 | H13 | 119.2° | 120.0° |
| C4 | N1 | C5 | C6 | 28.3° | 66.1° |
| N1 | C4 | H4 | H5 | 117.6° | 120.0° |
| C4 | N1 | C5 | H6 | 92.4° | 173.9° |
| C4 | N1 | C5 | H7 | 148.9° | 53.9° |
| N1 | C4 | C3 | H2 | 175.7° | 60.7° |
| N1 | C4 | C3 | H3 | 62.3° | 179.2° |
| C4 | N1 | C12 | H14 | 165.5° | 58.3° |
| C4 | N1 | C12 | H13 | 75.0° | 178.2° |
| N1 | C5 | C6 | C7 | 69.9° | 89.7° |
| N1 | C5 | C6 | H6 | 120.7° | 120.0° |
| N1 | C5 | C6 | H7 | 120.7° | 120.0° |
| N1 | C5 | C6 | C11 | 109.2° | 90.0° |
| C5 | N1 | C4 | H4 | 49.1° | 54.2° |
| C5 | N1 | C4 | H5 | 69.3° | 65.8° |
| N1 | C5 | H6 | H7 | 118.0° | 120.0° |
| C5 | N1 | C12 | H14 | 69.8° | 65.8° |
| C5 | N1 | C12 | H13 | 49.7° | 54.2° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.0° | 0.0° |
| C8 | C7 | C6 | C5 | 178.7° | 180.0° |
| C8 | C7 | C6 | C11 | 0.4° | 0.3° |
| C7 | C8 | C9 | H10 | 179.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.7° | 0.2° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | H11 | 178.3° | 179.7° |
| C7 | C6 | C5 | C11 | 179.1° | 179.7° |
| C7 | C6 | C11 | C10 | 0.3° | 0.5° |
| C7 | C6 | C5 | H6 | 169.4° | 150.3° |
| C7 | C6 | C5 | H7 | 50.8° | 30.3° |
| C6 | C7 | C8 | H9 | 180.0° | 179.9° |
| C7 | C6 | C11 | H12 | 179.7° | 179.7° |
| C9 | C10 | C11 | C6 | 1.3° | 0.5° |
| C9 | C10 | C11 | H11 | 180.0° | 179.5° |
| C10 | C9 | C8 | H9 | 179.0° | 180.0° |
| C9 | C10 | C11 | H12 | 178.7° | 179.8° |
| C5 | C6 | C11 | C10 | 179.4° | 179.7° |
| C6 | C5 | H6 | H7 | 118.0° | 120.0° |
| C5 | C6 | C7 | H8 | 1.2° | 0.0° |
| C5 | C6 | C11 | H12 | 0.6° | 0.0° |
| C6 | C11 | C10 | H12 | 180.0° | 179.7° |
| C11 | C6 | C5 | H6 | 11.5° | 30.0° |
| C11 | C6 | C5 | H7 | 130.1° | 150.0° |
| C11 | C6 | C7 | H8 | 179.7° | 179.7° |
| C6 | C11 | C10 | H11 | 178.7° | 180.0° |
| C11 | C10 | C9 | H10 | 178.3° | 179.8° |
| H4 | C4 | C3 | H2 | 54.9° | 59.3° |
| H4 | C4 | C3 | H3 | 177.0° | 60.8° |
| H5 | C4 | C3 | H2 | 63.5° | 179.2° |
| H5 | C4 | C3 | H3 | 58.5° | 59.1° |
| H8 | C7 | C8 | H9 | 0.0° | 0.0° |
| H9 | C8 | C9 | H10 | 1.0° | 0.0° |
| H11 | C10 | C9 | H10 | 1.7° | 0.3° |
| H11 | C10 | C11 | H12 | 1.4° | 0.3° |
| H15 | C13 | C2 | H1 | 148.4° | 177.7° |
| H15 | C13 | C12 | H14 | 67.7° | 179.2° |
| H15 | C13 | C12 | H13 | 172.8° | 59.3° |
| H16 | C15 | C16 | H17 | 0.7° | 0.2° |
| H18 | C17 | C16 | H17 | 1.2° | 0.1° |
| H18 | C17 | C18 | H19 | 0.4° | 0.6° |
| H22 | C20 | C21 | H24 | 54.0° | 174.9° |
| H22 | C20 | C21 | H23 | 173.3° | 54.8° |
| H21 | C20 | C21 | H24 | 65.6° | 54.6° |
| H21 | C20 | C21 | H23 | 53.7° | 65.5° |
| H29 | C26 | C27 | H30 | 0.9° | 0.0° |
| H31 | C28 | C27 | H30 | 0.3° | 0.0° |
| H31 | C28 | C29 | H32 | 1.1° | 0.0° |
| H1 | C2 | C3 | H2 | 79.5° | 177.8° |
| H1 | C2 | C3 | H3 | 158.4° | 57.7° |
| H19 | C18 | C19 | H20 | 0.7° | 0.9° |
| H33 | C32 | C33 | H35 | 57.5° | 174.9° |
| H33 | C32 | C33 | H36 | 177.4° | 54.6° |
| H34 | C32 | C33 | H35 | 62.0° | 54.8° |
| H34 | C32 | C33 | H36 | 57.9° | 65.6° |
