CVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | O3 | sing | 1.43Å | 1.42Å | |
| C14 | N | sing | 1.47Å | 1.45Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| N1 | C16 | sing | 1.46Å | 1.46Å | |
| N1 | C15 | sing | 1.35Å | 1.33Å | |
| N | C13 | sing | 1.35Å | 1.34Å | |
| O4 | C26 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | sing | 1.50Å | 1.52Å | |
| C20 | C19 | sing | 1.54Å | 1.55Å | |
| C15 | O2 | doub | 1.21Å | 1.23Å | |
| C26 | C27 | sing | 1.50Å | 1.52Å | |
| C26 | N3 | sing | 1.35Å | 1.37Å | |
| C28 | C27 | sing | 1.52Å | 1.54Å | |
| C28 | C29 | sing | 1.50Å | 1.49Å | |
| C21 | C22 | sing | 1.54Å | 1.51Å | |
| C27 | C32 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | N3 | sing | 1.47Å | 1.48Å | |
| C19 | C25 | sing | 1.46Å | 1.58Å | |
| C22 | C23 | sing | 1.54Å | 1.51Å | |
| C13 | O1 | doub | 1.22Å | 1.23Å | |
| C13 | C10 | sing | 1.48Å | 1.50Å | |
| N3 | N2 | sing | 1.40Å | 1.39Å | |
| C23 | C24 | sing | 1.50Å | 1.49Å | |
| C12 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.29Å | 1.33Å | |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C18 | doub | 1.30Å | 1.29Å | |
| C32 | C18 | sing | 1.52Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C18 | C4 | sing | 1.47Å | 1.48Å | |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.50Å | 1.51Å | |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H29 | sing | 1.08Å | 1.08Å | |
| N | H30 | sing | 0.97Å | 1.00Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | O3 | 113.0° | 109.5° |
| C17 | C16 | N1 | 112.4° | 109.5° |
| C17 | C16 | H34 | 108.8° | 109.5° |
| C17 | C16 | H35 | 108.7° | 109.4° |
| C16 | C17 | H36 | 108.6° | 109.5° |
| C16 | C17 | H37 | 108.6° | 109.5° |
| O3 | C17 | H36 | 108.6° | 109.4° |
| O3 | C17 | H37 | 108.6° | 109.4° |
| C17 | O3 | H38 | 109.5° | 114.1° |
| N | C14 | C15 | 113.8° | 109.5° |
| C14 | N | C13 | 121.4° | 120.0° |
| C14 | N | H30 | 119.3° | 120.0° |
| N | C14 | H31 | 108.4° | 109.5° |
| N | C14 | H32 | 108.4° | 109.4° |
| C14 | C15 | N1 | 115.7° | 120.0° |
| C14 | C15 | O2 | 121.0° | 120.0° |
| C15 | C14 | H31 | 108.4° | 109.5° |
| C15 | C14 | H32 | 108.4° | 109.5° |
| C16 | N1 | C15 | 123.6° | 120.0° |
| C16 | N1 | H33 | 118.2° | 119.9° |
| N1 | C16 | H34 | 108.7° | 109.4° |
| N1 | C16 | H35 | 108.7° | 109.5° |
| N1 | C15 | O2 | 123.2° | 120.0° |
| C15 | N1 | H33 | 118.2° | 120.0° |
| N | C13 | O1 | 121.8° | 120.0° |
| N | C13 | C10 | 118.0° | 120.0° |
| C13 | N | H30 | 119.3° | 120.0° |
| O4 | C26 | C27 | 122.0° | 121.0° |
| O4 | C26 | N3 | 123.0° | 121.0° |
| C21 | C20 | C19 | 116.6° | 108.5° |
| C20 | C21 | C22 | 115.3° | 112.5° |
| C20 | C21 | H8 | 108.0° | 108.8° |
| C20 | C21 | H9 | 108.0° | 108.8° |
| C21 | C20 | H10 | 107.7° | 109.6° |
| C21 | C20 | H11 | 107.7° | 109.6° |
| C20 | C19 | N3 | 109.3° | 108.9° |
| C20 | C19 | C25 | 117.1° | 112.4° |
| C20 | C19 | H1 | 106.2° | 108.8° |
| C19 | C20 | H10 | 107.7° | 109.6° |
| C19 | C20 | H11 | 107.6° | 109.6° |
| C27 | C26 | N3 | 115.0° | 118.0° |
| C26 | C27 | C28 | 113.0° | 112.0° |
| C26 | C27 | C32 | 110.4° | 108.6° |
| C26 | C27 | H12 | 107.4° | 108.7° |
| C26 | N3 | C19 | 125.2° | 120.1° |
| C26 | N3 | N2 | 125.2° | 119.8° |
| C27 | C28 | C29 | 111.5° | 111.4° |
| C28 | C27 | C32 | 111.4° | 110.7° |
| C28 | C27 | H12 | 107.2° | 108.1° |
| C27 | C28 | H18 | 109.0° | 109.1° |
| C27 | C28 | H19 | 109.0° | 109.1° |
| C28 | C29 | C30 | 121.5° | 123.6° |
| C28 | C29 | H17 | 119.2° | 118.2° |
| C29 | C28 | H18 | 109.0° | 109.1° |
| C29 | C28 | H19 | 109.0° | 109.1° |
| C21 | C22 | C23 | 116.1° | 112.8° |
| C21 | C22 | H6 | 107.8° | 108.8° |
| C21 | C22 | H7 | 107.8° | 108.8° |
| C22 | C21 | H8 | 108.0° | 108.9° |
| C22 | C21 | H9 | 108.0° | 108.8° |
| C27 | C32 | C18 | 108.4° | 107.0° |
| C27 | C32 | C31 | 113.0° | 108.6° |
| C32 | C27 | H12 | 107.0° | 108.7° |
| C27 | C32 | H13 | 107.9° | 111.0° |
| C12 | C11 | C10 | 120.7° | 119.9° |
| C11 | C12 | C7 | 121.3° | 120.0° |
| C11 | C12 | H26 | 119.4° | 120.0° |
| C12 | C11 | H27 | 119.7° | 120.1° |
| C11 | C10 | C13 | 123.1° | 120.0° |
| C11 | C10 | C9 | 118.0° | 119.9° |
| C10 | C11 | H27 | 119.7° | 120.0° |
| N3 | C19 | C25 | 110.8° | 108.9° |
| C19 | N3 | N2 | 109.6° | 120.1° |
| N3 | C19 | H1 | 107.0° | 108.9° |
| C19 | C25 | C24 | 124.3° | 112.4° |
| C25 | C19 | H1 | 105.9° | 108.9° |
| C19 | C25 | H2 | 105.7° | 108.9° |
| C19 | C25 | H39 | 105.7° | 108.9° |
| C22 | C23 | C24 | 113.7° | 112.5° |
| C22 | C23 | H4 | 108.4° | 108.9° |
| C22 | C23 | H5 | 108.4° | 108.8° |
| C23 | C22 | H6 | 107.8° | 108.8° |
| C23 | C22 | H7 | 107.8° | 108.8° |
| O1 | C13 | C10 | 120.2° | 120.0° |
| C13 | C10 | C9 | 118.5° | 120.1° |
| N3 | N2 | C18 | 118.8° | 121.3° |
| C23 | C24 | C25 | 116.2° | 108.5° |
| C23 | C24 | H3 | 107.8° | 109.6° |
| C24 | C23 | H4 | 108.4° | 108.9° |
| C24 | C23 | H5 | 108.4° | 108.9° |
| C23 | C24 | H40 | 107.8° | 109.8° |
| C12 | C7 | C6 | 120.3° | 120.0° |
| C12 | C7 | C8 | 117.7° | 120.0° |
| C7 | C12 | H26 | 119.3° | 120.0° |
| C29 | C30 | C31 | 125.7° | 124.3° |
| C29 | C30 | H16 | 117.2° | 117.8° |
| C30 | C29 | H17 | 119.3° | 118.2° |
| C10 | C9 | C8 | 120.8° | 120.0° |
| C10 | C9 | H28 | 119.5° | 120.0° |
| N2 | C18 | C32 | 122.7° | 119.1° |
| N2 | C18 | C4 | 115.2° | 120.4° |
| C18 | C32 | C31 | 111.1° | 107.2° |
| C32 | C18 | C4 | 122.1° | 120.5° |
| C18 | C32 | H13 | 108.3° | 111.1° |
| C32 | C31 | C30 | 113.9° | 111.3° |
| C31 | C32 | H13 | 108.0° | 111.7° |
| C32 | C31 | H14 | 108.4° | 109.1° |
| C32 | C31 | H15 | 108.4° | 109.1° |
| C18 | C4 | C5 | 119.9° | 120.1° |
| C18 | C4 | C3 | 121.1° | 120.0° |
| C24 | C25 | H2 | 105.6° | 108.9° |
| C25 | C24 | H3 | 107.8° | 109.6° |
| C24 | C25 | H39 | 105.7° | 108.9° |
| C25 | C24 | H40 | 107.8° | 109.6° |
| C4 | C5 | C6 | 121.4° | 119.8° |
| C5 | C4 | C3 | 119.0° | 119.9° |
| C4 | C5 | H22 | 119.3° | 120.1° |
| C5 | C6 | C7 | 117.1° | 120.1° |
| C5 | C6 | C1 | 118.4° | 119.8° |
| C6 | C5 | H22 | 119.3° | 120.1° |
| C6 | C7 | C8 | 121.5° | 120.0° |
| C7 | C6 | C1 | 123.9° | 120.1° |
| C7 | C8 | C9 | 121.3° | 120.0° |
| C7 | C8 | H29 | 119.4° | 120.0° |
| C30 | C31 | H14 | 108.3° | 109.1° |
| C30 | C31 | H15 | 108.3° | 109.1° |
| C31 | C30 | H16 | 117.1° | 117.9° |
| C8 | C9 | H28 | 119.6° | 120.0° |
| C9 | C8 | H29 | 119.4° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.2° |
| C4 | C3 | H20 | 119.6° | 119.9° |
| C6 | C1 | C2 | 120.7° | 120.1° |
| C6 | C1 | O | 115.7° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.2° |
| C2 | C3 | H20 | 119.6° | 119.9° |
| C3 | C2 | H21 | 120.2° | 119.9° |
| C2 | C1 | O | 123.7° | 120.0° |
| C1 | C2 | H21 | 120.2° | 119.9° |
| C1 | O | C | 117.9° | 117.0° |
| O | C | H23 | 109.5° | 109.5° |
| O | C | H24 | 109.5° | 109.4° |
| O | C | H25 | 109.5° | 109.4° |
| H2 | C25 | H39 | 109.5° | 108.8° |
| H3 | C24 | H40 | 109.4° | 109.6° |
| H4 | C23 | H5 | 109.5° | 108.8° |
| H6 | C22 | H7 | 109.5° | 108.8° |
| H8 | C21 | H9 | 109.5° | 108.8° |
| H10 | C20 | H11 | 109.5° | 109.8° |
| H14 | C31 | H15 | 109.5° | 109.1° |
| H18 | C28 | H19 | 109.5° | 109.0° |
| H23 | C | H24 | 109.4° | 109.5° |
| H23 | C | H25 | 109.5° | 109.6° |
| H24 | C | H25 | 109.4° | 109.5° |
| H31 | C14 | H32 | 109.4° | 109.5° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H36 | C17 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | O3 | H36 | 120.5° | 120.0° |
| C16 | C17 | O3 | H37 | 120.5° | 120.0° |
| C17 | C16 | N1 | H34 | 120.5° | 120.0° |
| C17 | C16 | N1 | H35 | 120.4° | 120.0° |
| C17 | C16 | N1 | C15 | 153.2° | 180.0° |
| C17 | C16 | N1 | H33 | 26.8° | 0.0° |
| C17 | C16 | H34 | H35 | 118.6° | 119.9° |
| C16 | C17 | H36 | H37 | 118.4° | 120.1° |
| C16 | C17 | O3 | H38 | 180.0° | 180.0° |
| O3 | C17 | C16 | N1 | 94.9° | 65.0° |
| O3 | C17 | C16 | H34 | 25.6° | 55.0° |
| O3 | C17 | C16 | H35 | 144.7° | 175.0° |
| O3 | C17 | H36 | H37 | 118.4° | 119.9° |
| N | C14 | C15 | H31 | 120.7° | 120.0° |
| N | C14 | C15 | H32 | 120.7° | 120.0° |
| N | C14 | C15 | N1 | 117.9° | 180.0° |
| C14 | N | C13 | H30 | 180.0° | 180.0° |
| N | C14 | C15 | O2 | 61.8° | 0.0° |
| C14 | N | C13 | O1 | 35.8° | 0.0° |
| C14 | N | C13 | C10 | 145.6° | 180.0° |
| N | C14 | H31 | H32 | 118.0° | 120.0° |
| C14 | C15 | N1 | C16 | 138.3° | 180.0° |
| C14 | C15 | N1 | O2 | 179.7° | 180.0° |
| C15 | C14 | N | C13 | 80.6° | 180.0° |
| C15 | C14 | N | H30 | 99.4° | 0.0° |
| C15 | C14 | H31 | H32 | 118.0° | 120.0° |
| C14 | C15 | N1 | H33 | 41.7° | 0.0° |
| C16 | N1 | C15 | H33 | 180.0° | 180.0° |
| C16 | N1 | C15 | O2 | 42.0° | 0.0° |
| N1 | C16 | H34 | H35 | 118.6° | 120.0° |
| N1 | C16 | C17 | H36 | 25.7° | 175.0° |
| N1 | C16 | C17 | H37 | 144.6° | 55.0° |
| N1 | C15 | C14 | H31 | 2.7° | 60.0° |
| N1 | C15 | C14 | H32 | 121.4° | 60.0° |
| C15 | N1 | C16 | H34 | 32.8° | 60.0° |
| C15 | N1 | C16 | H35 | 86.3° | 60.0° |
| N | C13 | C10 | C11 | 28.8° | 179.9° |
| N | C13 | O1 | C10 | 178.6° | 180.0° |
| N | C13 | C10 | C9 | 158.0° | 0.0° |
| C13 | N | C14 | H31 | 158.7° | 60.0° |
| C13 | N | C14 | H32 | 40.1° | 60.0° |
| O4 | C26 | C27 | N3 | 178.9° | 179.7° |
| O4 | C26 | C27 | C28 | 17.0° | 21.1° |
| O4 | C26 | C27 | C32 | 142.5° | 143.6° |
| O4 | C26 | N3 | C19 | 1.8° | 3.9° |
| O4 | C26 | N3 | N2 | 176.0° | 176.0° |
| O4 | C26 | C27 | H12 | 101.1° | 98.3° |
| C21 | C20 | C19 | H10 | 121.0° | 119.7° |
| C21 | C20 | C19 | H11 | 121.0° | 119.7° |
| C20 | C21 | C22 | H8 | 120.9° | 120.7° |
| C20 | C21 | C22 | H9 | 120.9° | 120.7° |
| C21 | C20 | C19 | N3 | 113.7° | 159.3° |
| C21 | C20 | C19 | C25 | 13.2° | 80.0° |
| C20 | C21 | C22 | C23 | 38.3° | 41.7° |
| C21 | C20 | C19 | H1 | 131.2° | 40.7° |
| C20 | C21 | C22 | H6 | 159.3° | 162.5° |
| C20 | C21 | C22 | H7 | 82.6° | 79.1° |
| C20 | C21 | H8 | H9 | 117.3° | 118.5° |
| C21 | C20 | H10 | H11 | 116.8° | 120.5° |
| C20 | C19 | N3 | C26 | 109.7° | 117.1° |
| C19 | C20 | C21 | C22 | 76.1° | 94.2° |
| C20 | C19 | N3 | C25 | 130.5° | 122.9° |
| C20 | C19 | N3 | H1 | 114.6° | 118.5° |
| C20 | C19 | C25 | H1 | 118.1° | 120.6° |
| C20 | C19 | N3 | N2 | 72.3° | 62.8° |
| C20 | C19 | C25 | C24 | 41.8° | 61.9° |
| C20 | C19 | C25 | H2 | 163.8° | 177.3° |
| C19 | C20 | C21 | H8 | 44.8° | 26.6° |
| C19 | C20 | C21 | H9 | 163.1° | 145.1° |
| C19 | C20 | H10 | H11 | 116.7° | 120.5° |
| C20 | C19 | C25 | H39 | 80.2° | 58.8° |
| O2 | C15 | C14 | H31 | 177.5° | 120.0° |
| O2 | C15 | C14 | H32 | 58.8° | 120.0° |
| O2 | C15 | N1 | H33 | 138.0° | 180.0° |
| C26 | C27 | C28 | C32 | 125.0° | 121.3° |
| C26 | C27 | C28 | H12 | 118.2° | 119.7° |
| C26 | C27 | C28 | C29 | 72.9° | 75.4° |
| C26 | C27 | C32 | H12 | 116.6° | 118.1° |
| C27 | C26 | N3 | C19 | 179.4° | 175.8° |
| C27 | C26 | N3 | N2 | 2.9° | 4.3° |
| C26 | C27 | C32 | C18 | 48.6° | 54.9° |
| C26 | C27 | C32 | C31 | 75.0° | 60.4° |
| C26 | C27 | C32 | H13 | 165.6° | 176.3° |
| C26 | C27 | C28 | H18 | 47.4° | 45.1° |
| C26 | C27 | C28 | H19 | 166.8° | 164.1° |
| N3 | C26 | C27 | C28 | 161.9° | 158.6° |
| N3 | C26 | C27 | C32 | 36.4° | 36.0° |
| C26 | N3 | C19 | N2 | 178.1° | 179.9° |
| C26 | N3 | C19 | C25 | 119.9° | 120.1° |
| C26 | N3 | N2 | C18 | 17.8° | 25.2° |
| C26 | N3 | C19 | H1 | 4.9° | 1.5° |
| N3 | C26 | C27 | H12 | 80.0° | 82.1° |
| C27 | C28 | C29 | H18 | 120.3° | 120.5° |
| C27 | C28 | C29 | H19 | 120.3° | 120.5° |
| C28 | C27 | C32 | H12 | 116.9° | 118.6° |
| C27 | C28 | C29 | C30 | 29.3° | 15.2° |
| C28 | C27 | C32 | C18 | 175.0° | 178.3° |
| C28 | C27 | C32 | C31 | 51.4° | 62.9° |
| C28 | C27 | C32 | H13 | 67.9° | 60.3° |
| C27 | C28 | C29 | H17 | 150.7° | 164.8° |
| C27 | C28 | H18 | H19 | 119.1° | 119.0° |
| C29 | C28 | C27 | C32 | 52.1° | 45.9° |
| C28 | C29 | C30 | H17 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 4.0° | 0.9° |
| C29 | C28 | C27 | H12 | 168.9° | 164.9° |
| C28 | C29 | C30 | H16 | 176.0° | 179.1° |
| C29 | C28 | H18 | H19 | 119.1° | 119.1° |
| C21 | C22 | C23 | H6 | 121.0° | 120.8° |
| C21 | C22 | C23 | H7 | 120.9° | 120.8° |
| C21 | C22 | C23 | C24 | 53.3° | 41.6° |
| C21 | C22 | C23 | H4 | 173.9° | 162.5° |
| C21 | C22 | C23 | H5 | 67.3° | 79.0° |
| C21 | C22 | H6 | H7 | 117.0° | 118.3° |
| C22 | C21 | H8 | H9 | 117.3° | 118.5° |
| C22 | C21 | C20 | H10 | 45.0° | 25.6° |
| C22 | C21 | C20 | H11 | 162.9° | 146.1° |
| C27 | C32 | C18 | N2 | 32.6° | 39.8° |
| C27 | C32 | C18 | C31 | 124.7° | 116.4° |
| C27 | C32 | C18 | H13 | 116.8° | 121.3° |
| C27 | C32 | C31 | H13 | 119.2° | 122.9° |
| C27 | C32 | C18 | C4 | 146.6° | 140.5° |
| C27 | C32 | C31 | C30 | 26.3° | 47.1° |
| C27 | C32 | C31 | H14 | 146.9° | 167.6° |
| C27 | C32 | C31 | H15 | 94.4° | 73.3° |
| C32 | C27 | C28 | H18 | 172.4° | 166.4° |
| C32 | C27 | C28 | H19 | 68.2° | 74.6° |
| C12 | C11 | C10 | H27 | 180.0° | 179.9° |
| C12 | C11 | C10 | C13 | 170.5° | 180.0° |
| C11 | C12 | C7 | H26 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 2.7° | 0.1° |
| C11 | C12 | C7 | C6 | 169.7° | 180.0° |
| C11 | C12 | C7 | C8 | 2.9° | 0.3° |
| C11 | C10 | C13 | O1 | 149.9° | 0.0° |
| C11 | C10 | C13 | C9 | 173.2° | 180.0° |
| C10 | C11 | C12 | C7 | 0.1° | 0.0° |
| C11 | C10 | C9 | C8 | 2.7° | 0.2° |
| C10 | C11 | C12 | H26 | 180.0° | 179.9° |
| C11 | C10 | C9 | H28 | 177.3° | 180.0° |
| N3 | C19 | C25 | H1 | 115.6° | 118.6° |
| C19 | N3 | N2 | C18 | 160.3° | 154.9° |
| N3 | C19 | C25 | C24 | 168.0° | 177.3° |
| N3 | C19 | C25 | H2 | 70.0° | 56.6° |
| N3 | C19 | C20 | H10 | 125.3° | 81.0° |
| N3 | C19 | C20 | H11 | 7.3° | 39.6° |
| N3 | C19 | C25 | H39 | 46.0° | 61.9° |
| C25 | C19 | N3 | N2 | 58.2° | 60.0° |
| C19 | C25 | C24 | C23 | 3.2° | 80.0° |
| C19 | C25 | C24 | H2 | 122.0° | 120.7° |
| C19 | C25 | C24 | H39 | 122.0° | 120.8° |
| C19 | C25 | H2 | H39 | 113.4° | 118.6° |
| C19 | C25 | C24 | H3 | 124.2° | 39.7° |
| C25 | C19 | C20 | H10 | 107.8° | 39.7° |
| C25 | C19 | C20 | H11 | 134.3° | 160.3° |
| C19 | C25 | C24 | H40 | 117.8° | 160.1° |
| C22 | C23 | C24 | H4 | 120.6° | 120.9° |
| C22 | C23 | C24 | H5 | 120.6° | 120.6° |
| C22 | C23 | C24 | C25 | 70.9° | 94.1° |
| C22 | C23 | C24 | H3 | 50.1° | 25.6° |
| C22 | C23 | H4 | H5 | 118.0° | 118.4° |
| C23 | C22 | H6 | H7 | 117.0° | 118.4° |
| C23 | C22 | C21 | H8 | 82.5° | 79.0° |
| C23 | C22 | C21 | H9 | 159.2° | 162.4° |
| C22 | C23 | C24 | H40 | 168.1° | 146.1° |
| O1 | C13 | C10 | C9 | 23.4° | 180.0° |
| O1 | C13 | N | H30 | 144.2° | 180.0° |
| C13 | C10 | C9 | C8 | 170.9° | 179.8° |
| C13 | C10 | C11 | H27 | 9.5° | 0.1° |
| C13 | C10 | C9 | H28 | 9.1° | 0.0° |
| C10 | C13 | N | H30 | 34.4° | 0.0° |
| N3 | N2 | C18 | C32 | 0.4° | 0.3° |
| N3 | N2 | C18 | C4 | 179.6° | 179.4° |
| N2 | N3 | C19 | H1 | 173.2° | 178.6° |
| C23 | C24 | C25 | H3 | 121.0° | 119.7° |
| C23 | C24 | C25 | H40 | 121.0° | 119.9° |
| C23 | C24 | C25 | H2 | 125.2° | 159.3° |
| C23 | C24 | H3 | H40 | 116.9° | 120.6° |
| C24 | C23 | H4 | H5 | 118.1° | 118.5° |
| C24 | C23 | C22 | H6 | 67.7° | 79.2° |
| C24 | C23 | C22 | H7 | 174.2° | 162.4° |
| C23 | C24 | C25 | H39 | 118.8° | 40.8° |
| C12 | C7 | C6 | C5 | 57.4° | 130.3° |
| C12 | C7 | C6 | C8 | 172.3° | 179.7° |
| C12 | C7 | C8 | C9 | 2.9° | 0.5° |
| C12 | C7 | C6 | C1 | 114.0° | 49.7° |
| C7 | C12 | C11 | H27 | 179.9° | 179.9° |
| C12 | C7 | C8 | H29 | 177.0° | 179.7° |
| C29 | C30 | C31 | C32 | 2.4° | 17.7° |
| C29 | C30 | C31 | H16 | 180.0° | 180.0° |
| C29 | C30 | C31 | H14 | 123.0° | 138.2° |
| C29 | C30 | C31 | H15 | 118.3° | 102.7° |
| C30 | C29 | C28 | H18 | 149.5° | 135.7° |
| C30 | C29 | C28 | H19 | 91.1° | 105.2° |
| C10 | C9 | C8 | C7 | 0.2° | 0.5° |
| C10 | C9 | C8 | H28 | 180.0° | 179.8° |
| C9 | C10 | C11 | H27 | 177.3° | 180.0° |
| C10 | C9 | C8 | H29 | 179.8° | 179.8° |
| N2 | C18 | C32 | C4 | 179.2° | 179.7° |
| N2 | C18 | C32 | C31 | 92.1° | 76.6° |
| N2 | C18 | C4 | C5 | 24.4° | 0.3° |
| N2 | C18 | C4 | C3 | 155.1° | 180.0° |
| N2 | C18 | C32 | H13 | 149.4° | 161.1° |
| C18 | C32 | C31 | H13 | 118.7° | 121.9° |
| C32 | C18 | C4 | C5 | 154.9° | 180.0° |
| C18 | C32 | C31 | C30 | 148.3° | 162.3° |
| C32 | C18 | C4 | C3 | 25.6° | 0.3° |
| C18 | C32 | C27 | H12 | 68.1° | 63.1° |
| C18 | C32 | C31 | H14 | 91.0° | 77.2° |
| C18 | C32 | C31 | H15 | 27.7° | 41.9° |
| C31 | C32 | C18 | C4 | 88.7° | 103.1° |
| C32 | C31 | C30 | H14 | 120.7° | 120.5° |
| C32 | C31 | C30 | H15 | 120.7° | 120.4° |
| C31 | C32 | C27 | H12 | 168.3° | 178.5° |
| C32 | C31 | H14 | H15 | 118.0° | 119.1° |
| C32 | C31 | C30 | H16 | 177.6° | 162.3° |
| C18 | C4 | C5 | C3 | 179.5° | 179.7° |
| C18 | C4 | C5 | C6 | 179.4° | 179.9° |
| C18 | C4 | C3 | C2 | 178.2° | 179.9° |
| C4 | C18 | C32 | H13 | 29.8° | 19.2° |
| C18 | C4 | C3 | H20 | 1.8° | 0.0° |
| C18 | C4 | C5 | H22 | 0.6° | 0.0° |
| C24 | C25 | C19 | H1 | 76.3° | 58.7° |
| C24 | C25 | H2 | H39 | 113.4° | 118.5° |
| C25 | C24 | H3 | H40 | 117.0° | 120.4° |
| C25 | C24 | C23 | H4 | 168.5° | 145.1° |
| C25 | C24 | C23 | H5 | 49.8° | 26.5° |
| C4 | C5 | C6 | H22 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 169.1° | 180.0° |
| C4 | C5 | C6 | C1 | 2.9° | 0.0° |
| C5 | C4 | C3 | C2 | 1.3° | 0.2° |
| C5 | C4 | C3 | H20 | 178.7° | 179.7° |
| C5 | C6 | C7 | C1 | 171.5° | 180.0° |
| C5 | C6 | C7 | C8 | 114.8° | 50.0° |
| C6 | C5 | C4 | C3 | 1.1° | 0.2° |
| C5 | C6 | C1 | C2 | 2.3° | 0.3° |
| C5 | C6 | C1 | O | 178.7° | 180.0° |
| C6 | C7 | C8 | C9 | 169.5° | 179.8° |
| C7 | C6 | C1 | C2 | 169.1° | 179.7° |
| C7 | C6 | C1 | O | 9.9° | 0.0° |
| C7 | C6 | C5 | H22 | 10.9° | 0.1° |
| C6 | C7 | C12 | H26 | 10.3° | 0.1° |
| C6 | C7 | C8 | H29 | 10.5° | 0.0° |
| C7 | C8 | C9 | H29 | 180.0° | 179.8° |
| C8 | C7 | C6 | C1 | 73.7° | 130.0° |
| C8 | C7 | C12 | H26 | 177.1° | 179.8° |
| C7 | C8 | C9 | H28 | 179.8° | 179.7° |
| C30 | C31 | C32 | H13 | 93.0° | 75.8° |
| C30 | C31 | H14 | H15 | 117.9° | 119.1° |
| C31 | C30 | C29 | H17 | 176.0° | 179.1° |
| C4 | C3 | C2 | H20 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 1.9° | 0.1° |
| C4 | C3 | C2 | H21 | 178.1° | 180.0° |
| C3 | C4 | C5 | H22 | 178.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.4° |
| C6 | C1 | C2 | O | 178.9° | 179.7° |
| C6 | C1 | O | C | 153.0° | 180.0° |
| C6 | C1 | C2 | H21 | 180.0° | 179.7° |
| C1 | C6 | C5 | H22 | 177.1° | 180.0° |
| C3 | C2 | C1 | H21 | 180.0° | 179.9° |
| C3 | C2 | C1 | O | 178.9° | 180.0° |
| C2 | C1 | O | C | 26.0° | 0.4° |
| C1 | C2 | C3 | H20 | 178.1° | 180.0° |
| O | C1 | C2 | H21 | 1.1° | 0.1° |
| C1 | O | C | H23 | 180.0° | 60.0° |
| C1 | O | C | H24 | 60.0° | 60.0° |
| C1 | O | C | H25 | 60.0° | 180.0° |
| O | C | H23 | H24 | 120.0° | 120.0° |
| O | C | H23 | H25 | 120.0° | 120.0° |
| O | C | H24 | H25 | 120.0° | 119.9° |
| H1 | C19 | C25 | H2 | 45.6° | 62.1° |
| H1 | C19 | C20 | H10 | 10.2° | 160.4° |
| H1 | C19 | C20 | H11 | 107.7° | 79.0° |
| H1 | C19 | C25 | H39 | 161.6° | 179.4° |
| H2 | C25 | C24 | H3 | 113.8° | 81.0° |
| H2 | C25 | C24 | H40 | 4.2° | 39.3° |
| H3 | C24 | C23 | H4 | 70.5° | 95.2° |
| H3 | C24 | C23 | H5 | 170.7° | 146.2° |
| H3 | C24 | C25 | H39 | 2.2° | 160.5° |
| H4 | C23 | C22 | H6 | 52.9° | 41.7° |
| H4 | C23 | C22 | H7 | 65.1° | 76.7° |
| H4 | C23 | C24 | H40 | 47.5° | 25.2° |
| H5 | C23 | C22 | H6 | 171.7° | 160.1° |
| H5 | C23 | C22 | H7 | 53.6° | 41.8° |
| H5 | C23 | C24 | H40 | 71.2° | 93.3° |
| H6 | C22 | C21 | H8 | 38.4° | 41.8° |
| H6 | C22 | C21 | H9 | 79.8° | 76.8° |
| H7 | C22 | C21 | H8 | 156.5° | 160.2° |
| H7 | C22 | C21 | H9 | 38.2° | 41.6° |
| H8 | C21 | C20 | H10 | 165.9° | 146.4° |
| H8 | C21 | C20 | H11 | 76.2° | 93.1° |
| H9 | C21 | C20 | H10 | 75.9° | 95.2° |
| H9 | C21 | C20 | H11 | 42.1° | 25.4° |
| H12 | C27 | C32 | H13 | 49.0° | 58.2° |
| H12 | C27 | C28 | H18 | 70.8° | 74.6° |
| H12 | C27 | C28 | H19 | 48.6° | 44.4° |
| H13 | C32 | C31 | H14 | 27.7° | 44.7° |
| H13 | C32 | C31 | H15 | 146.4° | 163.8° |
| H14 | C31 | C30 | H16 | 57.0° | 41.8° |
| H15 | C31 | C30 | H16 | 61.7° | 77.3° |
| H16 | C30 | C29 | H17 | 4.0° | 0.9° |
| H17 | C29 | C28 | H18 | 30.4° | 44.3° |
| H17 | C29 | C28 | H19 | 88.9° | 74.8° |
| H20 | C3 | C2 | H21 | 1.9° | 0.1° |
| H23 | C | H24 | H25 | 120.0° | 120.1° |
| H26 | C12 | C11 | H27 | 0.0° | 0.0° |
| H28 | C9 | C8 | H29 | 0.2° | 0.1° |
| H30 | N | C14 | H31 | 21.3° | 120.0° |
| H30 | N | C14 | H32 | 139.9° | 120.0° |
| H33 | N1 | C16 | H34 | 147.3° | 120.0° |
| H33 | N1 | C16 | H35 | 93.6° | 120.0° |
| H34 | C16 | C17 | H36 | 146.1° | 65.0° |
| H34 | C16 | C17 | H37 | 95.0° | 175.0° |
| H35 | C16 | C17 | H36 | 94.8° | 55.0° |
| H35 | C16 | C17 | H37 | 24.1° | 65.1° |
| H36 | C17 | O3 | H38 | 59.5° | 60.0° |
| H37 | C17 | O3 | H38 | 59.5° | 60.0° |
| H39 | C25 | C24 | H40 | 120.2° | 79.2° |
