V0J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.56Å | |
| C5 | C1 | sing | 1.53Å | 1.56Å | |
| C1 | C4 | sing | 1.51Å | 1.55Å | |
| C1 | C3 | sing | 1.51Å | 1.55Å | |
| O11 | C4 | doub | 1.21Å | 1.21Å | |
| C4 | N10 | sing | 1.35Å | 1.38Å | |
| C38 | C35 | sing | 1.53Å | 1.54Å | |
| C20 | C16 | sing | 1.53Å | 1.55Å | |
| C20 | N23 | sing | 1.47Å | 1.49Å | |
| N10 | C16 | sing | 1.47Å | 1.49Å | |
| N10 | C17 | sing | 1.47Å | 1.49Å | |
| C9 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| O28 | C26 | doub | 1.22Å | 1.21Å | |
| C16 | C21 | sing | 1.51Å | 1.52Å | |
| C17 | C22 | sing | 1.54Å | 1.57Å | |
| C32 | C35 | sing | 1.53Å | 1.53Å | |
| C32 | C30 | sing | 1.53Å | 1.55Å | |
| N23 | C26 | sing | 1.35Å | 1.39Å | |
| N23 | C22 | sing | 1.47Å | 1.49Å | |
| C26 | N27 | sing | 1.35Å | 1.38Å | |
| C15 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N27 | C30 | sing | 1.47Å | 1.46Å | |
| N27 | C29 | sing | 1.46Å | 1.45Å | |
| C21 | O24 | doub | 1.21Å | 1.31Å | |
| C21 | O25 | sing | 1.34Å | 1.20Å | |
| C19 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C31 | sing | 1.51Å | 1.57Å | |
| C31 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | C40 | sing | 1.48Å | 1.50Å | |
| C42 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C42 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C40 | C41 | sing | 1.41Å | 1.39Å | Aromatic |
| N47 | N50 | sing | 1.28Å | 1.38Å | Aromatic |
| N47 | C43 | doub | 1.32Å | 1.24Å | Aromatic |
| C45 | C48 | doub | 1.38Å | 1.37Å | Aromatic |
| C41 | C43 | sing | 1.48Å | 1.52Å | |
| C41 | C44 | doub | 1.39Å | 1.39Å | Aromatic |
| N50 | N49 | doub | 1.29Å | 1.31Å | Aromatic |
| C43 | N46 | sing | 1.36Å | 1.27Å | Aromatic |
| C48 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| N49 | N46 | sing | 1.41Å | 1.31Å | Aromatic |
| C42 | H1 | sing | 1.08Å | 1.08Å | |
| C44 | H2 | sing | 1.08Å | 1.08Å | |
| C45 | H3 | sing | 1.08Å | 1.08Å | |
| C48 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| O25 | H29 | sing | 0.97Å | 0.95Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| N46 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C18 | C13 | 118.2° | 120.0° |
| C18 | C12 | C6 | 121.0° | 120.0° |
| C18 | C12 | H5 | 119.5° | 120.0° |
| C12 | C18 | H12 | 120.9° | 120.0° |
| C18 | C13 | C7 | 119.6° | 120.0° |
| C18 | C13 | H6 | 120.2° | 120.0° |
| C13 | C18 | H12 | 120.9° | 120.0° |
| C12 | C6 | C2 | 122.8° | 120.0° |
| C6 | C12 | H5 | 119.5° | 120.1° |
| C12 | C6 | H25 | 118.6° | 119.9° |
| C13 | C7 | C2 | 123.8° | 120.0° |
| C7 | C13 | H6 | 120.2° | 119.9° |
| C13 | C7 | H26 | 118.1° | 120.1° |
| C6 | C2 | C7 | 114.6° | 120.0° |
| C6 | C2 | C1 | 125.9° | 120.0° |
| C2 | C6 | H25 | 118.6° | 120.0° |
| C7 | C2 | C1 | 119.5° | 120.0° |
| C2 | C7 | H26 | 118.1° | 119.9° |
| C2 | C1 | C5 | 108.9° | 109.4° |
| C2 | C1 | C4 | 111.6° | 109.5° |
| C2 | C1 | C3 | 106.2° | 109.5° |
| C5 | C1 | C4 | 112.0° | 109.5° |
| C5 | C1 | C3 | 106.8° | 109.4° |
| C1 | C5 | H22 | 109.5° | 109.5° |
| C1 | C5 | H23 | 109.4° | 109.5° |
| C1 | C5 | H24 | 109.5° | 109.5° |
| C4 | C1 | C3 | 111.1° | 109.5° |
| C1 | C4 | O11 | 115.5° | 120.0° |
| C1 | C4 | N10 | 126.7° | 120.0° |
| C1 | C3 | C9 | 122.9° | 120.0° |
| C1 | C3 | C8 | 119.9° | 120.0° |
| O11 | C4 | N10 | 117.8° | 120.0° |
| C4 | N10 | C16 | 119.8° | 120.6° |
| C4 | N10 | C17 | 120.5° | 120.6° |
| C38 | C35 | C32 | 110.0° | 109.5° |
| C38 | C35 | H34 | 109.3° | 109.5° |
| C38 | C35 | H35 | 109.3° | 109.5° |
| C35 | C38 | H38 | 109.5° | 109.4° |
| C35 | C38 | H39 | 109.5° | 109.5° |
| C35 | C38 | H40 | 109.5° | 109.5° |
| C16 | C20 | N23 | 108.3° | 108.6° |
| C20 | C16 | N10 | 100.9° | 108.8° |
| C20 | C16 | C21 | 117.5° | 109.6° |
| C20 | C16 | H9 | 109.5° | 109.7° |
| C16 | C20 | H14 | 109.8° | 109.6° |
| C16 | C20 | H15 | 109.8° | 109.6° |
| C20 | N23 | C26 | 120.0° | 120.6° |
| C20 | N23 | C22 | 119.3° | 118.8° |
| N23 | C20 | H14 | 109.8° | 109.6° |
| N23 | C20 | H15 | 109.8° | 109.6° |
| C16 | N10 | C17 | 119.7° | 118.8° |
| N10 | C16 | C21 | 108.3° | 109.6° |
| N10 | C16 | H9 | 110.3° | 109.6° |
| N10 | C17 | C22 | 111.5° | 108.6° |
| N10 | C17 | H10 | 109.0° | 109.6° |
| N10 | C17 | H11 | 108.9° | 109.8° |
| C3 | C9 | C15 | 120.7° | 120.0° |
| C9 | C3 | C8 | 117.2° | 120.0° |
| C3 | C9 | H28 | 119.6° | 120.0° |
| C9 | C15 | C19 | 120.9° | 120.0° |
| C9 | C15 | H8 | 119.5° | 120.0° |
| C15 | C9 | H28 | 119.7° | 120.0° |
| C3 | C8 | C14 | 122.5° | 120.0° |
| C3 | C8 | H27 | 118.8° | 120.0° |
| O28 | C26 | N23 | 116.9° | 120.0° |
| O28 | C26 | N27 | 115.1° | 120.0° |
| C16 | C21 | O24 | 118.8° | 120.0° |
| C16 | C21 | O25 | 121.5° | 120.0° |
| C21 | C16 | H9 | 109.9° | 109.6° |
| C17 | C22 | N23 | 109.7° | 108.6° |
| C22 | C17 | H10 | 109.0° | 109.6° |
| C22 | C17 | H11 | 109.0° | 109.6° |
| C17 | C22 | H16 | 109.4° | 109.7° |
| C17 | C22 | H17 | 109.5° | 109.6° |
| C35 | C32 | C30 | 114.9° | 109.5° |
| C35 | C32 | H30 | 108.1° | 109.5° |
| C35 | C32 | H31 | 108.1° | 109.5° |
| C32 | C35 | H34 | 109.3° | 109.4° |
| C32 | C35 | H35 | 109.3° | 109.5° |
| C32 | C30 | N27 | 105.3° | 109.5° |
| C32 | C30 | H20 | 110.5° | 109.5° |
| C32 | C30 | H21 | 110.5° | 109.4° |
| C30 | C32 | H30 | 108.1° | 109.5° |
| C30 | C32 | H31 | 108.1° | 109.5° |
| C26 | N23 | C22 | 120.7° | 120.6° |
| N23 | C26 | N27 | 128.0° | 120.0° |
| N23 | C22 | H16 | 109.4° | 109.6° |
| N23 | C22 | H17 | 109.4° | 109.7° |
| C26 | N27 | C30 | 122.9° | 120.0° |
| C26 | N27 | C29 | 124.7° | 120.0° |
| C15 | C19 | C14 | 118.9° | 120.0° |
| C19 | C15 | H8 | 119.5° | 120.0° |
| C15 | C19 | H13 | 120.6° | 120.0° |
| C8 | C14 | C19 | 119.7° | 120.0° |
| C8 | C14 | H7 | 120.1° | 120.0° |
| C14 | C8 | H27 | 118.8° | 120.0° |
| C30 | N27 | C29 | 112.3° | 120.0° |
| N27 | C30 | H20 | 110.5° | 109.5° |
| N27 | C30 | H21 | 110.5° | 109.5° |
| N27 | C29 | C31 | 99.6° | 109.5° |
| N27 | C29 | H18 | 111.9° | 109.4° |
| N27 | C29 | H19 | 111.9° | 109.5° |
| O24 | C21 | O25 | 119.7° | 120.0° |
| C21 | O25 | H29 | 109.5° | 117.0° |
| C19 | C14 | H7 | 120.2° | 120.0° |
| C14 | C19 | H13 | 120.5° | 120.0° |
| C29 | C31 | C33 | 122.3° | 119.9° |
| C29 | C31 | C34 | 123.7° | 119.8° |
| C31 | C29 | H18 | 111.9° | 109.5° |
| C31 | C29 | H19 | 111.9° | 109.5° |
| C33 | C31 | C34 | 114.0° | 120.3° |
| C31 | C33 | C36 | 123.0° | 120.1° |
| C31 | C33 | H32 | 118.5° | 120.0° |
| C31 | C34 | C37 | 123.9° | 120.1° |
| C31 | C34 | H33 | 118.1° | 120.0° |
| C33 | C36 | C39 | 121.7° | 119.9° |
| C36 | C33 | H32 | 118.5° | 119.9° |
| C33 | C36 | H36 | 119.2° | 120.1° |
| C34 | C37 | C39 | 121.3° | 119.9° |
| C37 | C34 | H33 | 118.1° | 119.9° |
| C34 | C37 | H37 | 119.4° | 120.1° |
| C36 | C39 | C37 | 116.0° | 119.8° |
| C36 | C39 | C40 | 121.4° | 120.1° |
| C39 | C36 | H36 | 119.1° | 120.0° |
| C37 | C39 | C40 | 122.6° | 120.1° |
| C39 | C37 | H37 | 119.3° | 120.1° |
| C39 | C40 | C42 | 115.8° | 120.2° |
| C39 | C40 | C41 | 126.7° | 120.1° |
| C40 | C42 | C45 | 123.2° | 120.0° |
| C42 | C40 | C41 | 117.5° | 119.7° |
| C40 | C42 | H1 | 118.4° | 120.0° |
| C42 | C45 | C48 | 119.1° | 120.4° |
| C45 | C42 | H1 | 118.4° | 120.0° |
| C42 | C45 | H3 | 120.5° | 119.8° |
| C40 | C41 | C43 | 123.9° | 120.2° |
| C40 | C41 | C44 | 118.6° | 119.6° |
| N50 | N47 | C43 | 102.7° | 110.5° |
| N47 | N50 | N49 | 108.4° | 110.4° |
| N47 | C43 | C41 | 121.4° | 126.5° |
| N47 | C43 | N46 | 115.4° | 107.0° |
| C45 | C48 | C44 | 118.7° | 120.4° |
| C48 | C45 | H3 | 120.5° | 119.7° |
| C45 | C48 | H4 | 120.6° | 119.9° |
| C43 | C41 | C44 | 117.5° | 120.2° |
| C41 | C43 | N46 | 123.2° | 126.5° |
| C41 | C44 | C48 | 122.9° | 120.0° |
| C41 | C44 | H2 | 118.6° | 120.0° |
| N50 | N49 | N46 | 106.8° | 106.9° |
| C43 | N46 | N49 | 106.8° | 105.2° |
| C43 | N46 | H41 | 126.6° | 127.4° |
| C48 | C44 | H2 | 118.5° | 120.0° |
| C44 | C48 | H4 | 120.7° | 119.8° |
| N49 | N46 | H41 | 126.6° | 127.4° |
| H10 | C17 | H11 | 109.5° | 109.6° |
| H14 | C20 | H15 | 109.4° | 109.7° |
| H16 | C22 | H17 | 109.5° | 109.6° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.5° | 109.4° |
| H22 | C5 | H24 | 109.5° | 109.5° |
| H23 | C5 | H24 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.4° |
| H34 | C35 | H35 | 109.5° | 109.4° |
| H38 | C38 | H39 | 109.5° | 109.5° |
| H38 | C38 | H40 | 109.4° | 109.5° |
| H39 | C38 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C18 | C13 | H12 | 180.0° | 179.8° |
| C18 | C12 | C6 | H5 | 180.0° | 180.0° |
| C12 | C18 | C13 | C7 | 0.5° | 0.2° |
| C18 | C12 | C6 | C2 | 1.0° | 0.0° |
| C12 | C18 | C13 | H6 | 179.5° | 179.7° |
| C18 | C12 | C6 | H25 | 179.0° | 180.0° |
| C13 | C18 | C12 | C6 | 0.2° | 0.2° |
| C18 | C13 | C7 | H6 | 180.0° | 180.0° |
| C18 | C13 | C7 | C2 | 0.6° | 0.0° |
| C13 | C18 | C12 | H5 | 179.8° | 179.8° |
| C18 | C13 | C7 | H26 | 179.4° | 179.9° |
| C12 | C6 | C2 | H25 | 180.0° | 180.0° |
| C12 | C6 | C2 | C7 | 0.9° | 0.2° |
| C12 | C6 | C2 | C1 | 179.7° | 180.0° |
| C6 | C12 | C18 | H12 | 179.8° | 180.0° |
| C13 | C7 | C2 | C6 | 0.1° | 0.2° |
| C13 | C7 | C2 | H26 | 180.0° | 179.9° |
| C13 | C7 | C2 | C1 | 179.0° | 180.0° |
| C7 | C13 | C18 | H12 | 179.4° | 180.0° |
| C6 | C2 | C7 | C1 | 178.9° | 179.8° |
| C6 | C2 | C1 | C5 | 123.9° | 56.3° |
| C6 | C2 | C1 | C4 | 0.3° | 176.3° |
| C6 | C2 | C1 | C3 | 121.5° | 63.7° |
| C2 | C6 | C12 | H5 | 179.0° | 180.0° |
| C6 | C2 | C7 | H26 | 179.9° | 179.7° |
| C7 | C2 | C1 | C5 | 54.9° | 123.5° |
| C7 | C2 | C1 | C4 | 179.1° | 3.5° |
| C7 | C2 | C1 | C3 | 59.7° | 116.5° |
| C2 | C7 | C13 | H6 | 179.4° | 180.0° |
| C7 | C2 | C6 | H25 | 179.1° | 179.8° |
| C2 | C1 | C5 | C4 | 123.9° | 120.0° |
| C2 | C1 | C5 | C3 | 114.3° | 120.0° |
| C2 | C1 | C4 | C3 | 118.3° | 120.1° |
| C2 | C1 | C4 | O11 | 111.7° | 115.0° |
| C2 | C1 | C4 | N10 | 68.7° | 64.9° |
| C2 | C1 | C3 | C9 | 17.2° | 2.8° |
| C2 | C1 | C3 | C8 | 164.6° | 176.9° |
| C2 | C1 | C5 | H22 | 180.0° | 64.9° |
| C2 | C1 | C5 | H23 | 60.0° | 55.1° |
| C2 | C1 | C5 | H24 | 60.0° | 175.1° |
| C1 | C2 | C6 | H25 | 0.3° | 0.0° |
| C1 | C2 | C7 | H26 | 0.9° | 0.1° |
| C5 | C1 | C4 | C3 | 119.3° | 120.0° |
| C5 | C1 | C4 | O11 | 10.6° | 5.0° |
| C5 | C1 | C4 | N10 | 168.9° | 175.1° |
| C5 | C1 | C3 | C9 | 98.9° | 122.8° |
| C5 | C1 | C3 | C8 | 79.3° | 56.9° |
| C1 | C5 | H22 | H23 | 120.0° | 120.0° |
| C1 | C5 | H22 | H24 | 120.0° | 120.0° |
| C1 | C5 | H23 | H24 | 120.0° | 120.0° |
| C1 | C4 | O11 | N10 | 179.6° | 179.9° |
| C1 | C4 | N10 | C16 | 178.7° | 174.1° |
| C1 | C4 | N10 | C17 | 1.1° | 5.8° |
| C4 | C1 | C3 | C9 | 138.7° | 117.2° |
| C4 | C1 | C3 | C8 | 43.1° | 63.1° |
| C4 | C1 | C5 | H22 | 56.1° | 55.1° |
| C4 | C1 | C5 | H23 | 63.9° | 175.1° |
| C4 | C1 | C5 | H24 | 176.1° | 64.9° |
| C3 | C1 | C4 | O11 | 129.9° | 124.9° |
| C3 | C1 | C4 | N10 | 49.6° | 55.1° |
| C1 | C3 | C9 | C8 | 178.2° | 179.7° |
| C1 | C3 | C9 | C15 | 179.1° | 180.0° |
| C1 | C3 | C8 | C14 | 179.2° | 179.9° |
| C3 | C1 | C5 | H22 | 65.7° | 175.1° |
| C3 | C1 | C5 | H23 | 174.3° | 64.9° |
| C3 | C1 | C5 | H24 | 54.3° | 55.1° |
| C1 | C3 | C8 | H27 | 0.7° | 0.0° |
| C1 | C3 | C9 | H28 | 0.9° | 0.1° |
| O11 | C4 | N10 | C16 | 0.9° | 5.9° |
| O11 | C4 | N10 | C17 | 178.5° | 174.2° |
| C4 | N10 | C16 | C20 | 129.0° | 124.8° |
| C4 | N10 | C16 | C17 | 177.6° | 179.9° |
| C4 | N10 | C16 | C21 | 107.0° | 4.9° |
| C4 | N10 | C17 | C22 | 175.1° | 124.8° |
| C4 | N10 | C16 | H9 | 13.4° | 115.3° |
| C4 | N10 | C17 | H10 | 54.8° | 115.5° |
| C4 | N10 | C17 | H11 | 64.7° | 5.0° |
| C38 | C35 | C32 | H34 | 120.1° | 120.0° |
| C38 | C35 | C32 | H35 | 120.1° | 120.1° |
| C38 | C35 | C32 | C30 | 176.4° | 180.0° |
| C38 | C35 | C32 | H30 | 62.8° | 60.0° |
| C38 | C35 | C32 | H31 | 55.6° | 59.9° |
| C38 | C35 | H34 | H35 | 119.8° | 120.0° |
| C35 | C38 | H38 | H39 | 120.0° | 120.0° |
| C35 | C38 | H38 | H40 | 120.0° | 120.0° |
| C35 | C38 | H39 | H40 | 120.0° | 120.0° |
| C16 | C20 | N23 | H14 | 119.8° | 119.8° |
| C16 | C20 | N23 | H15 | 119.8° | 119.8° |
| C20 | C16 | N10 | C21 | 124.0° | 119.8° |
| C20 | C16 | N10 | H9 | 115.7° | 119.9° |
| C20 | C16 | N10 | C17 | 53.4° | 55.1° |
| C20 | C16 | C21 | H9 | 126.0° | 120.4° |
| C16 | C20 | N23 | C26 | 148.7° | 124.7° |
| C16 | C20 | N23 | C22 | 30.9° | 55.2° |
| C20 | C16 | C21 | O24 | 59.8° | 55.1° |
| C20 | C16 | C21 | O25 | 120.8° | 124.9° |
| C16 | C20 | H14 | H15 | 120.5° | 120.5° |
| N23 | C20 | C16 | N10 | 69.2° | 49.3° |
| C20 | N23 | C26 | O28 | 2.7° | 23.7° |
| N23 | C20 | C16 | C21 | 48.2° | 169.1° |
| C20 | N23 | C22 | C17 | 27.1° | 55.3° |
| C20 | N23 | C26 | C22 | 179.6° | 180.0° |
| C20 | N23 | C26 | N27 | 178.4° | 156.3° |
| N23 | C20 | C16 | H9 | 174.5° | 70.5° |
| N23 | C20 | H14 | H15 | 120.5° | 120.4° |
| C20 | N23 | C22 | H16 | 92.9° | 64.4° |
| C20 | N23 | C22 | H17 | 147.2° | 175.1° |
| N10 | C16 | C21 | H9 | 120.6° | 120.3° |
| C16 | N10 | C17 | C22 | 2.5° | 55.1° |
| N10 | C16 | C21 | O24 | 173.2° | 64.2° |
| N10 | C16 | C21 | O25 | 7.4° | 115.8° |
| C16 | N10 | C17 | H10 | 122.8° | 64.6° |
| C16 | N10 | C17 | H11 | 117.8° | 174.9° |
| N10 | C16 | C20 | H14 | 50.6° | 169.1° |
| N10 | C16 | C20 | H15 | 171.0° | 70.4° |
| C17 | N10 | C16 | C21 | 70.6° | 175.0° |
| N10 | C17 | C22 | H10 | 120.3° | 119.8° |
| N10 | C17 | C22 | H11 | 120.3° | 119.9° |
| N10 | C17 | C22 | N23 | 44.4° | 49.5° |
| C17 | N10 | C16 | H9 | 169.0° | 64.8° |
| N10 | C17 | H10 | H11 | 119.1° | 120.6° |
| N10 | C17 | C22 | H16 | 75.6° | 70.3° |
| N10 | C17 | C22 | H17 | 164.4° | 169.3° |
| C3 | C9 | C15 | H28 | 180.0° | 180.0° |
| C3 | C9 | C15 | C19 | 0.4° | 0.1° |
| C9 | C3 | C8 | C14 | 1.0° | 0.3° |
| C3 | C9 | C15 | H8 | 179.5° | 179.8° |
| C9 | C3 | C8 | H27 | 179.0° | 179.8° |
| C15 | C9 | C3 | C8 | 0.9° | 0.3° |
| C9 | C15 | C19 | H8 | 180.0° | 179.8° |
| C9 | C15 | C19 | C14 | 0.1° | 0.1° |
| C9 | C15 | C19 | H13 | 180.0° | 179.8° |
| C3 | C8 | C14 | H27 | 180.0° | 179.9° |
| C3 | C8 | C14 | C19 | 0.5° | 0.1° |
| C3 | C8 | C14 | H7 | 179.5° | 180.0° |
| C8 | C3 | C9 | H28 | 179.1° | 179.7° |
| O28 | C26 | N23 | N27 | 178.9° | 180.0° |
| O28 | C26 | N23 | C22 | 177.7° | 156.3° |
| O28 | C26 | N27 | C30 | 0.6° | 172.7° |
| O28 | C26 | N27 | C29 | 175.9° | 7.3° |
| C16 | C21 | O24 | O25 | 179.4° | 179.9° |
| C21 | C16 | C20 | H14 | 168.1° | 71.1° |
| C21 | C16 | C20 | H15 | 71.6° | 49.4° |
| C16 | C21 | O25 | H29 | 179.4° | 179.9° |
| C17 | C22 | N23 | C26 | 153.3° | 124.7° |
| C17 | C22 | N23 | H16 | 120.0° | 119.8° |
| C17 | C22 | N23 | H17 | 120.0° | 119.8° |
| C22 | C17 | H10 | H11 | 119.1° | 120.3° |
| C17 | C22 | H16 | H17 | 119.9° | 120.4° |
| C35 | C32 | C30 | H30 | 120.8° | 120.0° |
| C35 | C32 | C30 | H31 | 120.8° | 120.0° |
| C35 | C32 | C30 | N27 | 160.6° | 180.0° |
| C35 | C32 | C30 | H20 | 41.2° | 60.0° |
| C35 | C32 | C30 | H21 | 80.1° | 60.0° |
| C35 | C32 | H30 | H31 | 117.5° | 120.0° |
| C32 | C35 | H34 | H35 | 119.7° | 120.0° |
| C32 | C35 | C38 | H38 | 180.0° | 180.0° |
| C32 | C35 | C38 | H39 | 60.0° | 60.0° |
| C32 | C35 | C38 | H40 | 60.0° | 60.0° |
| C32 | C30 | N27 | C26 | 77.9° | 103.0° |
| C32 | C30 | N27 | H20 | 119.3° | 120.0° |
| C32 | C30 | N27 | H21 | 119.3° | 119.9° |
| C32 | C30 | N27 | C29 | 105.2° | 77.0° |
| C32 | C30 | H20 | H21 | 121.9° | 120.0° |
| C30 | C32 | H30 | H31 | 117.5° | 120.0° |
| C30 | C32 | C35 | H34 | 56.3° | 60.0° |
| C30 | C32 | C35 | H35 | 63.5° | 60.0° |
| N23 | C26 | N27 | C30 | 178.3° | 7.3° |
| N23 | C26 | N27 | C29 | 5.2° | 172.8° |
| C26 | N23 | C20 | H14 | 91.4° | 5.0° |
| C26 | N23 | C20 | H15 | 28.9° | 115.5° |
| C26 | N23 | C22 | H16 | 86.7° | 115.6° |
| C26 | N23 | C22 | H17 | 33.2° | 4.9° |
| C22 | N23 | C26 | N27 | 1.2° | 23.7° |
| N23 | C22 | C17 | H10 | 164.7° | 70.3° |
| N23 | C22 | C17 | H11 | 75.9° | 169.4° |
| C22 | N23 | C20 | H14 | 89.0° | 175.0° |
| C22 | N23 | C20 | H15 | 150.7° | 64.5° |
| N23 | C22 | H16 | H17 | 119.9° | 120.5° |
| C26 | N27 | C30 | C29 | 176.9° | 179.9° |
| C26 | N27 | C29 | C31 | 99.2° | 90.0° |
| C26 | N27 | C29 | H18 | 19.1° | 150.0° |
| C26 | N27 | C29 | H19 | 142.4° | 30.0° |
| C26 | N27 | C30 | H20 | 162.8° | 137.0° |
| C26 | N27 | C30 | H21 | 41.5° | 16.9° |
| C15 | C19 | C14 | C8 | 0.0° | 0.1° |
| C15 | C19 | C14 | H13 | 180.0° | 179.9° |
| C15 | C19 | C14 | H7 | 180.0° | 179.8° |
| C19 | C15 | C9 | H28 | 179.6° | 179.9° |
| C8 | C14 | C19 | H7 | 180.0° | 179.9° |
| C8 | C14 | C19 | H13 | 180.0° | 179.8° |
| C30 | N27 | C29 | C31 | 77.6° | 89.9° |
| C30 | N27 | C29 | H18 | 164.1° | 30.1° |
| C30 | N27 | C29 | H19 | 40.8° | 150.0° |
| N27 | C30 | H20 | H21 | 121.9° | 120.0° |
| N27 | C30 | C32 | H30 | 78.7° | 60.0° |
| N27 | C30 | C32 | H31 | 39.8° | 60.0° |
| N27 | C29 | C31 | H18 | 118.4° | 120.0° |
| N27 | C29 | C31 | H19 | 118.4° | 120.0° |
| N27 | C29 | C31 | C33 | 55.3° | 90.0° |
| N27 | C29 | C31 | C34 | 122.1° | 90.3° |
| N27 | C29 | H18 | H19 | 124.6° | 119.9° |
| C29 | N27 | C30 | H20 | 14.1° | 43.0° |
| C29 | N27 | C30 | H21 | 135.4° | 163.0° |
| O24 | C21 | C16 | H9 | 66.2° | 175.5° |
| O24 | C21 | O25 | H29 | 0.0° | 0.0° |
| O25 | C21 | C16 | H9 | 113.2° | 4.4° |
| C14 | C19 | C15 | H8 | 180.0° | 180.0° |
| C19 | C14 | C8 | H27 | 179.5° | 180.0° |
| C29 | C31 | C33 | C34 | 177.7° | 179.7° |
| C29 | C31 | C33 | C36 | 178.6° | 180.0° |
| C29 | C31 | C34 | C37 | 178.6° | 180.0° |
| C31 | C29 | H18 | H19 | 124.6° | 120.0° |
| C29 | C31 | C33 | H32 | 1.4° | 0.1° |
| C29 | C31 | C34 | H33 | 1.4° | 0.0° |
| C31 | C33 | C36 | H32 | 180.0° | 179.9° |
| C33 | C31 | C34 | C37 | 1.0° | 0.3° |
| C31 | C33 | C36 | C39 | 0.1° | 0.1° |
| C33 | C31 | C29 | H18 | 63.1° | 30.0° |
| C33 | C31 | C29 | H19 | 173.7° | 150.0° |
| C33 | C31 | C34 | H33 | 179.0° | 179.7° |
| C31 | C33 | C36 | H36 | 179.9° | 179.9° |
| C34 | C31 | C33 | C36 | 0.9° | 0.4° |
| C31 | C34 | C37 | H33 | 180.0° | 180.0° |
| C31 | C34 | C37 | C39 | 0.1° | 0.0° |
| C34 | C31 | C29 | H18 | 119.5° | 149.7° |
| C34 | C31 | C29 | H19 | 3.7° | 29.7° |
| C34 | C31 | C33 | H32 | 179.1° | 179.8° |
| C31 | C34 | C37 | H37 | 179.9° | 180.0° |
| C33 | C36 | C39 | H36 | 180.0° | 180.0° |
| C33 | C36 | C39 | C37 | 1.2° | 0.3° |
| C33 | C36 | C39 | C40 | 178.5° | 180.0° |
| C34 | C37 | C39 | C36 | 1.2° | 0.3° |
| C34 | C37 | C39 | H37 | 180.0° | 179.9° |
| C34 | C37 | C39 | C40 | 178.5° | 180.0° |
| C36 | C39 | C37 | C40 | 177.3° | 179.7° |
| C36 | C39 | C40 | C42 | 46.5° | 50.0° |
| C36 | C39 | C40 | C41 | 135.3° | 130.0° |
| C39 | C36 | C33 | H32 | 179.9° | 180.0° |
| C36 | C39 | C37 | H37 | 178.8° | 179.7° |
| C37 | C39 | C40 | C42 | 130.7° | 130.3° |
| C37 | C39 | C40 | C41 | 47.5° | 49.7° |
| C39 | C37 | C34 | H33 | 179.9° | 180.0° |
| C37 | C39 | C36 | H36 | 178.8° | 179.8° |
| C39 | C40 | C42 | C41 | 178.4° | 180.0° |
| C39 | C40 | C42 | C45 | 179.7° | 179.9° |
| C39 | C40 | C41 | C43 | 2.5° | 0.0° |
| C39 | C40 | C41 | C44 | 179.4° | 179.6° |
| C39 | C40 | C42 | H1 | 0.3° | 0.0° |
| C40 | C39 | C36 | H36 | 1.5° | 0.1° |
| C40 | C39 | C37 | H37 | 1.5° | 0.0° |
| C40 | C42 | C45 | H1 | 180.0° | 180.0° |
| C40 | C42 | C45 | C48 | 0.8° | 0.2° |
| C42 | C40 | C41 | C43 | 179.4° | 180.0° |
| C42 | C40 | C41 | C44 | 1.2° | 0.3° |
| C40 | C42 | C45 | H3 | 179.2° | 180.0° |
| C45 | C42 | C40 | C41 | 1.3° | 0.1° |
| C42 | C45 | C48 | H3 | 180.0° | 179.8° |
| C42 | C45 | C48 | C44 | 0.1° | 0.2° |
| C42 | C45 | C48 | H4 | 179.9° | 179.7° |
| C40 | C41 | C43 | N47 | 37.6° | 0.6° |
| C40 | C41 | C43 | C44 | 178.2° | 179.7° |
| C40 | C41 | C43 | N46 | 145.3° | 179.7° |
| C40 | C41 | C44 | C48 | 0.6° | 0.3° |
| C41 | C40 | C42 | H1 | 178.7° | 180.0° |
| C40 | C41 | C44 | H2 | 179.4° | 179.7° |
| N50 | N47 | C43 | C41 | 178.5° | 180.0° |
| N50 | N47 | C43 | N46 | 1.2° | 0.2° |
| N47 | N50 | N49 | N46 | 0.6° | 0.0° |
| N47 | C43 | C41 | N46 | 177.1° | 179.7° |
| N47 | C43 | C41 | C44 | 140.6° | 179.7° |
| C43 | N47 | N50 | N49 | 0.3° | 0.2° |
| N47 | C43 | N46 | N49 | 1.6° | 0.2° |
| N47 | C43 | N46 | H41 | 178.4° | 179.7° |
| C45 | C48 | C44 | C41 | 0.0° | 0.1° |
| C45 | C48 | C44 | H4 | 180.0° | 180.0° |
| C48 | C45 | C42 | H1 | 179.2° | 179.7° |
| C45 | C48 | C44 | H2 | 179.9° | 180.0° |
| C43 | C41 | C44 | C48 | 178.9° | 180.0° |
| C41 | C43 | N46 | N49 | 178.9° | 179.9° |
| C43 | C41 | C44 | H2 | 1.1° | 0.1° |
| C41 | C43 | N46 | H41 | 1.1° | 0.0° |
| C44 | C41 | C43 | N46 | 36.5° | 0.0° |
| C41 | C44 | C48 | H2 | 180.0° | 179.9° |
| C41 | C44 | C48 | H4 | 180.0° | 180.0° |
| N50 | N49 | N46 | C43 | 1.2° | 0.1° |
| N50 | N49 | N46 | H41 | 178.8° | 179.8° |
| C43 | N46 | N49 | H41 | 180.0° | 180.0° |
| C44 | C48 | C45 | H3 | 179.9° | 180.0° |
| H1 | C42 | C45 | H3 | 0.8° | 0.0° |
| H2 | C44 | C48 | H4 | 0.0° | 0.1° |
| H3 | C45 | C48 | H4 | 0.1° | 0.0° |
| H5 | C12 | C18 | H12 | 0.2° | 0.0° |
| H5 | C12 | C6 | H25 | 1.0° | 0.0° |
| H6 | C13 | C18 | H12 | 0.5° | 0.0° |
| H6 | C13 | C7 | H26 | 0.6° | 0.1° |
| H7 | C14 | C19 | H13 | 0.0° | 0.3° |
| H7 | C14 | C8 | H27 | 0.5° | 0.1° |
| H8 | C15 | C19 | H13 | 0.0° | 0.0° |
| H8 | C15 | C9 | H28 | 0.5° | 0.3° |
| H9 | C16 | C20 | H14 | 65.7° | 49.3° |
| H9 | C16 | C20 | H15 | 54.7° | 169.8° |
| H10 | C17 | C22 | H16 | 44.7° | 170.0° |
| H10 | C17 | C22 | H17 | 75.3° | 49.6° |
| H11 | C17 | C22 | H16 | 164.1° | 49.6° |
| H11 | C17 | C22 | H17 | 44.2° | 70.8° |
| H20 | C30 | C32 | H30 | 162.0° | 179.9° |
| H20 | C30 | C32 | H31 | 79.6° | 60.0° |
| H21 | C30 | C32 | H30 | 40.7° | 60.0° |
| H21 | C30 | C32 | H31 | 159.1° | 180.0° |
| H22 | C5 | H23 | H24 | 120.0° | 120.0° |
| H30 | C32 | C35 | H34 | 177.1° | 180.0° |
| H30 | C32 | C35 | H35 | 57.3° | 60.1° |
| H31 | C32 | C35 | H34 | 64.4° | 60.1° |
| H31 | C32 | C35 | H35 | 175.7° | 180.0° |
| H32 | C33 | C36 | H36 | 0.1° | 0.0° |
| H33 | C34 | C37 | H37 | 0.1° | 0.0° |
| H34 | C35 | C38 | H38 | 60.0° | 60.0° |
| H34 | C35 | C38 | H39 | 60.1° | 180.0° |
| H34 | C35 | C38 | H40 | 179.9° | 60.0° |
| H35 | C35 | C38 | H38 | 59.9° | 59.9° |
| H35 | C35 | C38 | H39 | 180.0° | 60.1° |
| H35 | C35 | C38 | H40 | 60.0° | 179.9° |
| H38 | C38 | H39 | H40 | 120.0° | 120.0° |
