VEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | S3 | doub | 1.42Å | 1.42Å | |
| C39 | N38 | sing | 1.47Å | 1.47Å | |
| O5 | S3 | doub | 1.42Å | 1.45Å | |
| S3 | N2 | sing | 1.66Å | 1.64Å | |
| S3 | C6 | sing | 1.76Å | 1.78Å | |
| N2 | C1 | sing | 1.47Å | 1.48Å | |
| C37 | N38 | sing | 1.47Å | 1.47Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| O20 | C19 | doub | 1.22Å | 1.24Å | |
| N38 | C40 | sing | 1.47Å | 1.48Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C35 | N34 | sing | 1.46Å | 1.50Å | |
| O33 | C32 | doub | 1.21Å | 1.25Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C6 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | C21 | sing | 1.47Å | 1.48Å | |
| C19 | N12 | sing | 1.34Å | 1.35Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C21 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | N34 | sing | 1.35Å | 1.36Å | |
| C32 | C30 | sing | 1.48Å | 1.50Å | |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.43Å | |
| C13 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| C30 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C30 | N31 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | doub | 1.36Å | 1.33Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C22 | sing | 1.47Å | 1.46Å | |
| S23 | C22 | sing | 1.76Å | 1.76Å | Aromatic |
| S23 | C24 | sing | 1.71Å | 1.75Å | Aromatic |
| N31 | C26 | doub | 1.32Å | 1.32Å | Aromatic |
| C22 | C42 | doub | 1.35Å | 1.35Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | N25 | sing | 1.39Å | 1.39Å | |
| C24 | N25 | sing | 1.38Å | 1.40Å | |
| C24 | N41 | doub | 1.30Å | 1.32Å | Aromatic |
| C42 | N41 | sing | 1.31Å | 1.35Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| N25 | H13 | sing | 0.97Å | 1.00Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| N34 | H24 | sing | 0.97Å | 1.00Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S3 | O5 | 122.4° | 123.1° |
| O4 | S3 | N2 | 108.9° | 106.4° |
| O4 | S3 | C6 | 105.1° | 106.4° |
| C39 | N38 | C37 | 109.5° | 111.0° |
| C39 | N38 | C40 | 110.7° | 111.0° |
| N38 | C39 | H30 | 109.5° | 109.4° |
| N38 | C39 | H31 | 109.5° | 109.5° |
| N38 | C39 | H32 | 109.5° | 109.5° |
| O5 | S3 | N2 | 108.7° | 106.4° |
| O5 | S3 | C6 | 105.3° | 106.4° |
| N2 | S3 | C6 | 105.0° | 107.2° |
| S3 | N2 | C1 | 123.8° | 120.0° |
| S3 | N2 | H17 | 105.8° | 120.0° |
| S3 | C6 | C21 | 121.0° | 120.0° |
| S3 | C6 | C7 | 118.7° | 120.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.4° |
| N2 | C1 | H3 | 109.4° | 109.5° |
| C1 | N2 | H17 | 105.8° | 120.0° |
| N38 | C37 | C36 | 110.7° | 109.5° |
| C37 | N38 | C40 | 114.1° | 111.0° |
| N38 | C37 | H27 | 109.2° | 109.5° |
| N38 | C37 | H28 | 109.2° | 109.5° |
| C37 | C36 | C35 | 107.7° | 109.5° |
| C37 | C36 | H25 | 109.9° | 109.5° |
| C37 | C36 | H26 | 109.9° | 109.5° |
| C36 | C37 | H27 | 109.2° | 109.4° |
| C36 | C37 | H28 | 109.1° | 109.4° |
| O20 | C19 | C21 | 125.5° | 124.8° |
| O20 | C19 | N12 | 125.5° | 124.9° |
| N38 | C40 | H33 | 109.5° | 109.4° |
| N38 | C40 | H34 | 109.5° | 109.5° |
| N38 | C40 | H35 | 109.5° | 109.5° |
| C36 | C35 | N34 | 115.1° | 109.5° |
| C36 | C35 | H15 | 108.1° | 109.5° |
| C36 | C35 | H16 | 108.0° | 109.5° |
| C35 | C36 | H25 | 109.9° | 109.5° |
| C35 | C36 | H26 | 109.9° | 109.5° |
| C35 | N34 | C32 | 128.6° | 120.0° |
| N34 | C35 | H15 | 108.0° | 109.4° |
| N34 | C35 | H16 | 108.0° | 109.5° |
| C35 | N34 | H24 | 115.7° | 120.0° |
| O33 | C32 | N34 | 120.2° | 120.0° |
| O33 | C32 | C30 | 118.6° | 120.0° |
| C18 | C17 | C16 | 60.4° | 60.0° |
| C17 | C18 | C16 | 59.4° | 60.0° |
| C18 | C17 | H18 | 119.9° | 117.5° |
| C18 | C17 | H19 | 119.9° | 117.5° |
| C17 | C18 | H20 | 120.1° | 117.6° |
| C17 | C18 | H21 | 120.1° | 117.5° |
| C17 | C16 | C18 | 60.3° | 60.0° |
| C17 | C16 | C13 | 114.9° | 117.5° |
| C17 | C16 | H12 | 117.9° | 117.4° |
| C16 | C17 | H18 | 119.9° | 117.5° |
| C16 | C17 | H19 | 120.0° | 117.4° |
| C21 | C6 | C7 | 120.0° | 120.0° |
| C6 | C21 | C19 | 134.0° | 132.1° |
| C6 | C21 | C10 | 117.4° | 119.6° |
| C6 | C7 | C8 | 120.8° | 120.2° |
| C6 | C7 | H4 | 119.6° | 119.9° |
| C21 | C19 | N12 | 108.9° | 110.3° |
| C19 | C21 | C10 | 108.4° | 108.3° |
| C19 | N12 | C13 | 127.0° | 125.6° |
| C19 | N12 | C11 | 109.7° | 108.9° |
| C18 | C16 | C13 | 115.5° | 117.5° |
| C18 | C16 | H12 | 117.6° | 117.5° |
| C16 | C18 | H20 | 120.1° | 117.5° |
| C16 | C18 | H21 | 120.1° | 117.5° |
| C21 | C10 | C11 | 107.0° | 106.3° |
| C21 | C10 | C9 | 123.5° | 120.5° |
| N34 | C32 | C30 | 121.2° | 120.0° |
| C32 | N34 | H24 | 115.7° | 120.0° |
| C32 | C30 | C29 | 123.1° | 119.7° |
| C32 | C30 | N31 | 117.4° | 119.7° |
| C7 | C8 | C9 | 117.9° | 119.9° |
| C7 | C8 | C22 | 119.7° | 120.0° |
| C8 | C7 | H4 | 119.6° | 120.0° |
| N12 | C13 | C16 | 108.8° | 109.5° |
| N12 | C13 | C15 | 106.0° | 109.5° |
| C13 | N12 | C11 | 123.1° | 125.6° |
| N12 | C13 | H8 | 111.7° | 109.5° |
| C16 | C13 | C15 | 109.5° | 109.5° |
| C16 | C13 | H8 | 110.3° | 109.5° |
| C13 | C16 | H12 | 117.9° | 115.6° |
| C15 | C13 | H8 | 110.4° | 109.5° |
| C13 | C15 | H9 | 109.5° | 109.5° |
| C13 | C15 | H10 | 109.5° | 109.5° |
| C13 | C15 | H11 | 109.5° | 109.5° |
| N12 | C11 | C10 | 105.8° | 106.2° |
| N12 | C11 | H6 | 110.4° | 110.1° |
| N12 | C11 | H7 | 110.4° | 110.2° |
| C29 | C30 | N31 | 119.4° | 120.7° |
| C30 | C29 | C28 | 121.5° | 119.2° |
| C30 | C29 | H23 | 119.2° | 120.4° |
| C30 | N31 | C26 | 119.8° | 121.5° |
| C11 | C10 | C9 | 129.4° | 133.2° |
| C10 | C11 | H6 | 110.4° | 110.1° |
| C10 | C11 | H7 | 110.4° | 110.1° |
| C10 | C9 | C8 | 119.9° | 119.8° |
| C10 | C9 | H5 | 120.0° | 120.1° |
| C29 | C28 | C27 | 116.0° | 118.6° |
| C29 | C28 | H22 | 122.0° | 120.7° |
| C28 | C29 | H23 | 119.2° | 120.4° |
| C9 | C8 | C22 | 122.3° | 120.1° |
| C8 | C9 | H5 | 120.0° | 120.0° |
| C8 | C22 | S23 | 118.3° | 126.1° |
| C8 | C22 | C42 | 133.6° | 126.0° |
| C22 | S23 | C24 | 90.9° | 90.4° |
| S23 | C22 | C42 | 108.0° | 107.9° |
| S23 | C24 | N25 | 130.4° | 124.8° |
| S23 | C24 | N41 | 109.8° | 110.3° |
| N31 | C26 | C27 | 124.2° | 120.8° |
| N31 | C26 | N25 | 115.0° | 119.6° |
| C22 | C42 | N41 | 115.9° | 114.3° |
| C22 | C42 | C43 | 122.8° | 122.9° |
| C28 | C27 | C26 | 118.9° | 119.2° |
| C28 | C27 | H14 | 120.5° | 120.3° |
| C27 | C28 | H22 | 122.0° | 120.7° |
| C27 | C26 | N25 | 120.8° | 119.6° |
| C26 | C27 | H14 | 120.5° | 120.4° |
| C26 | N25 | C24 | 123.0° | 120.0° |
| C26 | N25 | H13 | 118.5° | 120.0° |
| N25 | C24 | N41 | 119.5° | 124.9° |
| C24 | N25 | H13 | 118.5° | 120.0° |
| C24 | N41 | C42 | 115.3° | 117.1° |
| N41 | C42 | C43 | 121.3° | 122.8° |
| C42 | C43 | H36 | 109.5° | 109.4° |
| C42 | C43 | H37 | 109.4° | 109.5° |
| C42 | C43 | H38 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 110.1° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H15 | C35 | H16 | 109.5° | 109.4° |
| H18 | C17 | H19 | 109.5° | 115.6° |
| H20 | C18 | H21 | 109.5° | 115.5° |
| H25 | C36 | H26 | 109.5° | 109.4° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H32 | 109.5° | 109.5° |
| H31 | C39 | H32 | 109.5° | 109.5° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H33 | C40 | H35 | 109.5° | 109.5° |
| H34 | C40 | H35 | 109.4° | 109.5° |
| H36 | C43 | H37 | 109.5° | 109.5° |
| H36 | C43 | H38 | 109.5° | 109.5° |
| H37 | C43 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S3 | O5 | N2 | 128.3° | 122.9° |
| O4 | S3 | O5 | C6 | 119.6° | 123.0° |
| O4 | S3 | N2 | C6 | 112.1° | 113.6° |
| O4 | S3 | N2 | C1 | 175.2° | 178.2° |
| O4 | S3 | C6 | C21 | 66.3° | 49.2° |
| O4 | S3 | C6 | C7 | 118.7° | 130.6° |
| O4 | S3 | N2 | H17 | 62.9° | 1.7° |
| C39 | N38 | C37 | C40 | 124.6° | 123.9° |
| C39 | N38 | C37 | C36 | 173.2° | 66.1° |
| C39 | N38 | C37 | H27 | 53.0° | 53.9° |
| C39 | N38 | C37 | H28 | 66.6° | 174.0° |
| N38 | C39 | H30 | H31 | 120.0° | 120.0° |
| N38 | C39 | H30 | H32 | 120.0° | 120.0° |
| N38 | C39 | H31 | H32 | 120.0° | 120.0° |
| C39 | N38 | C40 | H33 | 180.0° | 176.0° |
| C39 | N38 | C40 | H34 | 60.0° | 56.1° |
| C39 | N38 | C40 | H35 | 60.0° | 63.9° |
| O5 | S3 | N2 | C6 | 112.3° | 113.6° |
| O5 | S3 | N2 | C1 | 39.6° | 48.9° |
| O5 | S3 | C6 | C21 | 163.2° | 177.9° |
| O5 | S3 | C6 | C7 | 11.7° | 2.3° |
| O5 | S3 | N2 | H17 | 161.6° | 131.1° |
| S3 | N2 | C1 | H17 | 122.0° | 179.9° |
| N2 | S3 | C6 | C21 | 48.5° | 64.3° |
| N2 | S3 | C6 | C7 | 126.5° | 115.9° |
| S3 | N2 | C1 | H1 | 180.0° | 175.1° |
| S3 | N2 | C1 | H2 | 60.0° | 64.9° |
| S3 | N2 | C1 | H3 | 60.0° | 55.1° |
| C6 | S3 | N2 | C1 | 72.7° | 64.7° |
| S3 | C6 | C21 | C7 | 174.9° | 179.8° |
| S3 | C6 | C21 | C19 | 5.4° | 0.0° |
| S3 | C6 | C21 | C10 | 179.3° | 179.6° |
| S3 | C6 | C7 | C8 | 179.1° | 179.6° |
| S3 | C6 | C7 | H4 | 1.0° | 0.1° |
| C6 | S3 | N2 | H17 | 49.3° | 115.3° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N38 | C37 | C36 | H27 | 120.2° | 120.1° |
| N38 | C37 | C36 | H28 | 120.2° | 120.0° |
| N38 | C37 | C36 | C35 | 165.5° | 180.0° |
| N38 | C37 | C36 | H25 | 45.7° | 59.9° |
| N38 | C37 | C36 | H26 | 74.8° | 60.0° |
| N38 | C37 | H27 | H28 | 119.4° | 120.1° |
| C37 | N38 | C39 | H30 | 180.0° | 60.0° |
| C37 | N38 | C39 | H31 | 60.0° | 179.9° |
| C37 | N38 | C39 | H32 | 60.0° | 60.0° |
| C37 | N38 | C40 | H33 | 56.0° | 60.1° |
| C37 | N38 | C40 | H34 | 176.1° | 180.0° |
| C37 | N38 | C40 | H35 | 64.0° | 60.0° |
| C36 | C37 | N38 | C40 | 48.6° | 170.0° |
| C37 | C36 | C35 | H25 | 119.7° | 120.0° |
| C37 | C36 | C35 | H26 | 119.7° | 120.0° |
| C37 | C36 | C35 | N34 | 167.3° | 180.0° |
| C37 | C36 | C35 | H15 | 46.4° | 60.0° |
| C37 | C36 | C35 | H16 | 71.9° | 60.0° |
| C37 | C36 | H25 | H26 | 120.8° | 120.0° |
| C36 | C37 | H27 | H28 | 119.4° | 119.9° |
| O20 | C19 | C21 | C6 | 4.4° | 0.3° |
| O20 | C19 | C21 | N12 | 177.1° | 180.0° |
| O20 | C19 | C21 | C10 | 178.7° | 180.0° |
| O20 | C19 | N12 | C13 | 3.5° | 0.0° |
| O20 | C19 | N12 | C11 | 178.8° | 180.0° |
| C40 | N38 | C37 | H27 | 71.6° | 70.0° |
| C40 | N38 | C37 | H28 | 168.8° | 50.1° |
| C40 | N38 | C39 | H30 | 53.4° | 64.0° |
| C40 | N38 | C39 | H31 | 173.4° | 56.0° |
| C40 | N38 | C39 | H32 | 66.6° | 176.1° |
| N38 | C40 | H33 | H34 | 120.0° | 120.0° |
| N38 | C40 | H33 | H35 | 120.0° | 120.0° |
| N38 | C40 | H34 | H35 | 120.0° | 120.0° |
| C36 | C35 | N34 | H15 | 120.8° | 120.0° |
| C36 | C35 | N34 | H16 | 120.8° | 120.1° |
| C36 | C35 | N34 | C32 | 90.7° | 180.0° |
| C36 | C35 | H15 | H16 | 117.4° | 120.0° |
| C36 | C35 | N34 | H24 | 89.3° | 0.1° |
| C35 | C36 | H25 | H26 | 120.9° | 120.0° |
| C35 | C36 | C37 | H27 | 74.3° | 60.0° |
| C35 | C36 | C37 | H28 | 45.3° | 60.0° |
| C35 | N34 | C32 | O33 | 2.9° | 0.1° |
| C35 | N34 | C32 | H24 | 180.0° | 179.9° |
| C35 | N34 | C32 | C30 | 175.2° | 180.0° |
| N34 | C35 | H15 | H16 | 117.4° | 120.0° |
| N34 | C35 | C36 | H25 | 73.0° | 60.0° |
| N34 | C35 | C36 | H26 | 47.6° | 59.9° |
| O33 | C32 | N34 | C30 | 178.1° | 180.0° |
| O33 | C32 | C30 | C29 | 19.1° | 0.0° |
| O33 | C32 | C30 | N31 | 160.8° | 179.7° |
| O33 | C32 | N34 | H24 | 177.1° | 180.0° |
| C18 | C17 | C16 | H18 | 109.6° | 107.5° |
| C18 | C17 | C16 | H19 | 109.6° | 107.5° |
| C17 | C18 | C16 | H20 | 109.3° | 107.6° |
| C17 | C18 | C16 | H21 | 109.3° | 107.5° |
| C17 | C18 | C16 | C13 | 105.4° | 107.5° |
| C18 | C17 | C16 | H12 | 107.6° | 107.5° |
| C18 | C17 | H18 | H19 | 144.5° | 145.7° |
| C17 | C18 | H20 | H21 | 145.1° | 145.7° |
| C17 | C16 | C13 | N12 | 82.1° | 179.9° |
| C17 | C16 | C13 | H12 | 146.1° | 145.6° |
| C17 | C16 | C13 | C15 | 162.5° | 59.9° |
| C17 | C16 | C13 | H8 | 40.8° | 60.1° |
| C16 | C17 | H18 | H19 | 144.5° | 145.7° |
| C6 | C21 | C19 | C10 | 174.3° | 179.7° |
| C6 | C21 | C19 | N12 | 172.7° | 179.7° |
| C21 | C6 | C7 | C8 | 5.9° | 0.6° |
| C6 | C21 | C10 | C11 | 176.8° | 179.7° |
| C6 | C21 | C10 | C9 | 4.8° | 0.3° |
| C21 | C6 | C7 | H4 | 174.1° | 179.7° |
| C7 | C6 | C21 | C19 | 179.7° | 179.8° |
| C7 | C6 | C21 | C10 | 5.8° | 0.6° |
| C6 | C7 | C8 | H4 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 4.6° | 0.3° |
| C6 | C7 | C8 | C22 | 178.7° | 179.7° |
| C21 | C19 | N12 | C13 | 179.4° | 180.0° |
| C21 | C19 | N12 | C11 | 4.1° | 0.0° |
| C19 | C21 | C10 | C11 | 1.5° | 0.0° |
| C19 | C21 | C10 | C9 | 179.9° | 180.0° |
| N12 | C19 | C21 | C10 | 1.6° | 0.0° |
| C19 | N12 | C13 | C11 | 174.7° | 180.0° |
| C19 | N12 | C13 | C16 | 130.7° | 60.0° |
| C19 | N12 | C13 | C15 | 111.6° | 60.0° |
| C19 | N12 | C11 | C10 | 4.9° | 0.0° |
| C19 | N12 | C11 | H6 | 124.3° | 119.1° |
| C19 | N12 | C11 | H7 | 114.5° | 119.2° |
| C19 | N12 | C13 | H8 | 8.7° | 180.0° |
| C18 | C16 | C13 | N12 | 149.5° | 111.3° |
| C18 | C16 | C13 | H12 | 146.5° | 145.7° |
| C18 | C16 | C13 | C15 | 95.1° | 8.7° |
| C18 | C16 | C13 | H8 | 26.6° | 128.7° |
| C16 | C18 | H20 | H21 | 145.1° | 145.6° |
| C21 | C10 | C11 | N12 | 3.8° | 0.0° |
| C21 | C10 | C11 | C9 | 178.3° | 180.0° |
| C21 | C10 | C9 | C8 | 3.6° | 0.0° |
| C21 | C10 | C9 | H5 | 176.3° | 180.0° |
| C21 | C10 | C11 | H6 | 123.2° | 119.2° |
| C21 | C10 | C11 | H7 | 115.6° | 119.3° |
| N34 | C32 | C30 | C29 | 162.8° | 180.0° |
| N34 | C32 | C30 | N31 | 17.4° | 0.2° |
| C32 | N34 | C35 | H15 | 30.2° | 60.0° |
| C32 | N34 | C35 | H16 | 148.5° | 59.9° |
| C32 | C30 | C29 | N31 | 179.8° | 179.7° |
| C32 | C30 | C29 | C28 | 178.3° | 180.0° |
| C32 | C30 | N31 | C26 | 179.9° | 180.0° |
| C32 | C30 | C29 | H23 | 1.7° | 0.3° |
| C30 | C32 | N34 | H24 | 4.8° | 0.1° |
| C7 | C8 | C9 | C10 | 3.3° | 0.0° |
| C7 | C8 | C9 | C22 | 176.6° | 180.0° |
| C7 | C8 | C22 | S23 | 18.1° | 47.7° |
| C7 | C8 | C22 | C42 | 161.3° | 132.1° |
| C7 | C8 | C9 | H5 | 176.6° | 180.0° |
| N12 | C13 | C16 | C15 | 115.4° | 120.0° |
| N12 | C13 | C16 | H8 | 122.9° | 120.0° |
| N12 | C13 | C15 | H8 | 121.1° | 120.0° |
| C13 | N12 | C11 | C10 | 179.6° | 180.0° |
| C13 | N12 | C11 | H6 | 60.2° | 60.8° |
| C13 | N12 | C11 | H7 | 61.0° | 60.8° |
| N12 | C13 | C15 | H9 | 180.0° | 60.0° |
| N12 | C13 | C15 | H10 | 60.0° | 180.0° |
| N12 | C13 | C15 | H11 | 60.0° | 60.0° |
| N12 | C13 | C16 | H12 | 64.0° | 34.4° |
| C16 | C13 | C15 | H8 | 121.6° | 120.0° |
| C16 | C13 | N12 | C11 | 54.6° | 120.0° |
| C16 | C13 | C15 | H9 | 62.8° | 60.0° |
| C16 | C13 | C15 | H10 | 177.3° | 60.0° |
| C16 | C13 | C15 | H11 | 57.3° | 180.0° |
| C13 | C16 | C17 | H18 | 3.3° | 145.0° |
| C13 | C16 | C17 | H19 | 144.1° | 0.0° |
| C13 | C16 | C18 | H20 | 145.3° | 0.1° |
| C13 | C16 | C18 | H21 | 3.9° | 145.0° |
| C15 | C13 | N12 | C11 | 63.1° | 120.0° |
| C13 | C15 | H9 | H10 | 120.0° | 120.0° |
| C13 | C15 | H9 | H11 | 120.0° | 120.0° |
| C13 | C15 | H10 | H11 | 120.0° | 120.0° |
| C15 | C13 | C16 | H12 | 51.4° | 154.4° |
| N12 | C11 | C10 | H6 | 119.4° | 119.2° |
| N12 | C11 | C10 | H7 | 119.4° | 119.2° |
| N12 | C11 | C10 | C9 | 178.0° | 180.0° |
| N12 | C11 | H6 | H7 | 121.7° | 121.7° |
| C11 | N12 | C13 | H8 | 176.6° | 0.0° |
| C30 | C29 | C28 | H23 | 180.0° | 179.7° |
| C29 | C30 | N31 | C26 | 0.2° | 0.3° |
| C30 | C29 | C28 | C27 | 1.2° | 0.0° |
| C30 | C29 | C28 | H22 | 178.9° | 180.0° |
| N31 | C30 | C29 | C28 | 1.5° | 0.3° |
| C30 | N31 | C26 | C27 | 2.4° | 0.1° |
| C30 | N31 | C26 | N25 | 178.1° | 180.0° |
| N31 | C30 | C29 | H23 | 178.5° | 179.9° |
| C11 | C10 | C9 | C8 | 178.3° | 180.0° |
| C11 | C10 | C9 | H5 | 1.7° | 0.0° |
| C10 | C11 | H6 | H7 | 121.7° | 121.5° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | C22 | 180.0° | 180.0° |
| C9 | C10 | C11 | H6 | 58.5° | 60.8° |
| C9 | C10 | C11 | H7 | 62.6° | 60.8° |
| C29 | C28 | C27 | H22 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.8° | 0.3° |
| C29 | C28 | C27 | H14 | 179.2° | 180.0° |
| C9 | C8 | C22 | S23 | 158.5° | 132.3° |
| C9 | C8 | C22 | C42 | 22.1° | 47.9° |
| C9 | C8 | C7 | H4 | 175.4° | 180.0° |
| C8 | C22 | S23 | C42 | 179.5° | 179.8° |
| C8 | C22 | S23 | C24 | 179.2° | 180.0° |
| C8 | C22 | C42 | N41 | 179.0° | 180.0° |
| C8 | C22 | C42 | C43 | 1.6° | 0.1° |
| C22 | C8 | C7 | H4 | 1.3° | 0.0° |
| C22 | C8 | C9 | H5 | 0.0° | 0.0° |
| C22 | S23 | C24 | N25 | 176.3° | 179.9° |
| C22 | S23 | C24 | N41 | 2.7° | 0.2° |
| S23 | C22 | C42 | N41 | 0.5° | 0.2° |
| S23 | C22 | C42 | C43 | 178.9° | 179.7° |
| C24 | S23 | C22 | C42 | 1.3° | 0.2° |
| S23 | C24 | N25 | C26 | 5.1° | 174.8° |
| S23 | C24 | N25 | N41 | 173.1° | 179.9° |
| S23 | C24 | N41 | C42 | 3.5° | 0.1° |
| S23 | C24 | N25 | H13 | 174.9° | 5.1° |
| N31 | C26 | C27 | C28 | 2.7° | 0.4° |
| N31 | C26 | C27 | N25 | 179.5° | 179.9° |
| N31 | C26 | N25 | C24 | 0.7° | 5.1° |
| N31 | C26 | N25 | H13 | 179.3° | 174.9° |
| N31 | C26 | C27 | H14 | 177.3° | 180.0° |
| C22 | C42 | N41 | C24 | 2.7° | 0.1° |
| C22 | C42 | N41 | C43 | 179.4° | 179.9° |
| C22 | C42 | C43 | H36 | 179.4° | 93.9° |
| C22 | C42 | C43 | H37 | 60.6° | 146.1° |
| C22 | C42 | C43 | H38 | 59.4° | 26.0° |
| C28 | C27 | C26 | H14 | 180.0° | 179.6° |
| C28 | C27 | C26 | N25 | 177.8° | 179.7° |
| C27 | C28 | C29 | H23 | 178.9° | 179.6° |
| C27 | C26 | N25 | C24 | 178.8° | 174.9° |
| C27 | C26 | N25 | H13 | 1.2° | 5.0° |
| C26 | C27 | C28 | H22 | 179.1° | 179.7° |
| C26 | N25 | C24 | H13 | 180.0° | 179.9° |
| C26 | N25 | C24 | N41 | 178.2° | 5.2° |
| N25 | C26 | C27 | H14 | 2.1° | 0.1° |
| N25 | C24 | N41 | C42 | 177.9° | 180.0° |
| C24 | N41 | C42 | C43 | 176.7° | 179.8° |
| N41 | C24 | N25 | H13 | 1.8° | 174.8° |
| N41 | C42 | C43 | H36 | 0.0° | 86.2° |
| N41 | C42 | C43 | H37 | 120.0° | 33.8° |
| N41 | C42 | C43 | H38 | 120.0° | 153.9° |
| C42 | C43 | H36 | H37 | 120.0° | 120.0° |
| C42 | C43 | H36 | H38 | 120.0° | 119.9° |
| C42 | C43 | H37 | H38 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N2 | H17 | 58.0° | 5.0° |
| H2 | C1 | N2 | H17 | 178.1° | 115.1° |
| H3 | C1 | N2 | H17 | 61.9° | 125.0° |
| H8 | C13 | C15 | H9 | 58.8° | 180.0° |
| H8 | C13 | C15 | H10 | 61.1° | 60.0° |
| H8 | C13 | C15 | H11 | 178.9° | 60.0° |
| H8 | C13 | C16 | H12 | 173.1° | 85.5° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C16 | C17 | H18 | 142.9° | 0.0° |
| H12 | C16 | C17 | H19 | 2.0° | 145.0° |
| H12 | C16 | C18 | H20 | 1.3° | 145.0° |
| H12 | C16 | C18 | H21 | 142.6° | 0.1° |
| H14 | C27 | C28 | H22 | 0.8° | 0.1° |
| H15 | C35 | N34 | H24 | 149.8° | 120.1° |
| H15 | C35 | C36 | H25 | 166.1° | 180.0° |
| H15 | C35 | C36 | H26 | 73.3° | 60.0° |
| H16 | C35 | N34 | H24 | 31.5° | 120.0° |
| H16 | C35 | C36 | H25 | 47.8° | 60.1° |
| H16 | C35 | C36 | H26 | 168.4° | 180.0° |
| H18 | C17 | C18 | H20 | 141.1° | 145.0° |
| H18 | C17 | C18 | H21 | 0.3° | 0.0° |
| H19 | C17 | C18 | H20 | 0.3° | 0.1° |
| H19 | C17 | C18 | H21 | 141.1° | 145.1° |
| H22 | C28 | C29 | H23 | 1.1° | 0.3° |
| H25 | C36 | C37 | H27 | 165.9° | 180.0° |
| H25 | C36 | C37 | H28 | 74.4° | 60.1° |
| H26 | C36 | C37 | H27 | 45.4° | 60.0° |
| H26 | C36 | C37 | H28 | 165.0° | 180.0° |
| H30 | C39 | H31 | H32 | 120.0° | 120.0° |
| H33 | C40 | H34 | H35 | 120.0° | 120.0° |
| H36 | C43 | H37 | H38 | 120.0° | 120.1° |
