WKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C30 | doub | 1.22Å | 1.23Å | |
| C30 | N29 | sing | 1.35Å | 1.35Å | |
| C30 | N27 | sing | 1.34Å | 1.35Å | |
| N29 | C28 | sing | 1.47Å | 1.45Å | |
| N27 | C26 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C28 | C26 | sing | 1.53Å | 1.56Å | |
| C28 | C23 | sing | 1.54Å | 1.54Å | |
| S24 | C23 | sing | 1.84Å | 1.83Å | |
| S24 | C25 | sing | 1.84Å | 1.81Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| C19 | N18 | sing | 1.47Å | 1.49Å | |
| N18 | C17 | sing | 1.47Å | 1.51Å | |
| C17 | C32 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C33 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C2 | sing | 1.51Å | 1.50Å | |
| C14 | C34 | sing | 1.51Å | 1.53Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| O46 | C34 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C34 | N35 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.40Å | 1.40Å | |
| N35 | C36 | sing | 1.40Å | 1.42Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C45 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C44 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | N10 | doub | 1.34Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.42Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.31Å | 1.32Å | Aromatic |
| C44 | C43 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C37 | N38 | doub | 1.34Å | 1.37Å | Aromatic |
| C37 | C42 | sing | 1.42Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| N38 | C39 | sing | 1.31Å | 1.32Å | Aromatic |
| C43 | C42 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.36Å | Aromatic |
| C42 | C41 | doub | 1.41Å | 1.41Å | Aromatic |
| C39 | C40 | doub | 1.39Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| C41 | H32 | sing | 1.08Å | 1.08Å | |
| C43 | H33 | sing | 1.08Å | 1.08Å | |
| C44 | H34 | sing | 1.08Å | 1.08Å | |
| C45 | H35 | sing | 1.08Å | 1.08Å | |
| N18 | H36 | sing | 1.01Å | 1.00Å | |
| N27 | H38 | sing | 0.97Å | 1.00Å | |
| N29 | H39 | sing | 0.97Å | 1.00Å | |
| N35 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C30 | N29 | 125.2° | 123.0° |
| O31 | C30 | N27 | 126.0° | 123.2° |
| N29 | C30 | N27 | 108.8° | 113.7° |
| C30 | N29 | C28 | 113.0° | 108.9° |
| C30 | N29 | H39 | 123.5° | 125.5° |
| C30 | N27 | C26 | 112.7° | 109.0° |
| C30 | N27 | H38 | 123.6° | 125.4° |
| N29 | C28 | C26 | 102.6° | 104.0° |
| N29 | C28 | C23 | 115.3° | 109.2° |
| N29 | C28 | H16 | 110.7° | 110.6° |
| C28 | N29 | H39 | 123.5° | 125.6° |
| N27 | C26 | C28 | 102.7° | 104.3° |
| N27 | C26 | C25 | 115.8° | 109.2° |
| N27 | C26 | H15 | 110.2° | 110.2° |
| C26 | N27 | H38 | 123.7° | 125.5° |
| C23 | C22 | C21 | 113.3° | 109.4° |
| C22 | C23 | C28 | 116.7° | 110.8° |
| C22 | C23 | S24 | 112.6° | 110.8° |
| C23 | C22 | H13 | 108.5° | 109.5° |
| C23 | C22 | H14 | 108.5° | 109.5° |
| C22 | C23 | H23 | 109.3° | 110.7° |
| C22 | C21 | C20 | 113.8° | 109.5° |
| C22 | C21 | H11 | 108.4° | 109.5° |
| C22 | C21 | H12 | 108.3° | 109.5° |
| C21 | C22 | H13 | 108.5° | 109.5° |
| C21 | C22 | H14 | 108.5° | 109.5° |
| C21 | C20 | C19 | 111.6° | 109.5° |
| C21 | C20 | H9 | 109.0° | 109.5° |
| C21 | C20 | H10 | 108.9° | 109.5° |
| C20 | C21 | H11 | 108.4° | 109.5° |
| C20 | C21 | H12 | 108.4° | 109.5° |
| C20 | C19 | N18 | 109.6° | 109.5° |
| C19 | C20 | H9 | 108.9° | 109.5° |
| C19 | C20 | H10 | 109.0° | 109.5° |
| C20 | C19 | H21 | 109.5° | 109.5° |
| C20 | C19 | H22 | 109.4° | 109.4° |
| C26 | C28 | C23 | 109.2° | 112.4° |
| C28 | C26 | C25 | 109.8° | 112.4° |
| C28 | C26 | H15 | 108.8° | 110.3° |
| C26 | C28 | H16 | 109.3° | 110.3° |
| C28 | C23 | S24 | 102.7° | 102.7° |
| C23 | C28 | H16 | 109.5° | 110.3° |
| C28 | C23 | H23 | 109.0° | 110.7° |
| C23 | S24 | C25 | 90.7° | 94.8° |
| S24 | C23 | H23 | 105.9° | 110.9° |
| S24 | C25 | C26 | 103.7° | 102.8° |
| S24 | C25 | H24 | 110.9° | 110.5° |
| S24 | C25 | H25 | 110.9° | 111.2° |
| C25 | C26 | H15 | 109.2° | 110.2° |
| C26 | C25 | H24 | 110.9° | 110.7° |
| C26 | C25 | H25 | 110.9° | 110.8° |
| C19 | N18 | C17 | 116.1° | 111.0° |
| N18 | C19 | H21 | 109.4° | 109.5° |
| N18 | C19 | H22 | 109.4° | 109.5° |
| C19 | N18 | H36 | 107.8° | 111.0° |
| N18 | C17 | C32 | 110.5° | 109.5° |
| N18 | C17 | C16 | 111.5° | 109.5° |
| N18 | C17 | H8 | 107.9° | 109.5° |
| C17 | N18 | H36 | 107.8° | 111.0° |
| C32 | C17 | C16 | 111.2° | 109.4° |
| C17 | C32 | C33 | 108.6° | 109.5° |
| C32 | C17 | H8 | 107.8° | 109.5° |
| C17 | C32 | H26 | 109.7° | 109.5° |
| C17 | C32 | H27 | 109.7° | 109.5° |
| C17 | C16 | C15 | 109.1° | 109.5° |
| C16 | C17 | H8 | 107.8° | 109.4° |
| C17 | C16 | H19 | 109.6° | 109.5° |
| C17 | C16 | H20 | 109.6° | 109.5° |
| C32 | C33 | C14 | 112.4° | 109.4° |
| C33 | C32 | H26 | 109.7° | 109.4° |
| C33 | C32 | H27 | 109.7° | 109.5° |
| C32 | C33 | H28 | 108.7° | 109.5° |
| C32 | C33 | H29 | 108.7° | 109.5° |
| C16 | C15 | C14 | 113.8° | 109.5° |
| C16 | C15 | H6 | 108.4° | 109.5° |
| C16 | C15 | H7 | 108.4° | 109.5° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.4° |
| C33 | C14 | C15 | 109.9° | 109.5° |
| C33 | C14 | C2 | 105.4° | 109.4° |
| C33 | C14 | C34 | 113.1° | 109.5° |
| C14 | C33 | H28 | 108.7° | 109.5° |
| C14 | C33 | H29 | 108.7° | 109.4° |
| C15 | C14 | C2 | 109.5° | 109.5° |
| C15 | C14 | C34 | 109.9° | 109.5° |
| C14 | C15 | H6 | 108.4° | 109.5° |
| C14 | C15 | H7 | 108.4° | 109.5° |
| C2 | C14 | C34 | 108.9° | 109.4° |
| C14 | C2 | O1 | 121.2° | 120.0° |
| C14 | C2 | N3 | 114.3° | 120.0° |
| C14 | C34 | O46 | 120.4° | 120.0° |
| C14 | C34 | N35 | 116.3° | 120.0° |
| O1 | C2 | N3 | 124.5° | 120.0° |
| O46 | C34 | N35 | 123.4° | 120.0° |
| C2 | N3 | C4 | 128.1° | 120.0° |
| C2 | N3 | H1 | 116.0° | 120.0° |
| C34 | N35 | C36 | 126.1° | 120.0° |
| C34 | N35 | H40 | 117.0° | 120.1° |
| N3 | C4 | C5 | 124.9° | 120.3° |
| N3 | C4 | C9 | 115.0° | 120.2° |
| C4 | N3 | H1 | 115.9° | 120.0° |
| N35 | C36 | C45 | 124.3° | 120.2° |
| N35 | C36 | C37 | 116.1° | 120.2° |
| C36 | N35 | H40 | 117.0° | 119.9° |
| C5 | C4 | C9 | 119.8° | 119.5° |
| C4 | C5 | C6 | 120.4° | 120.9° |
| C4 | C5 | H2 | 119.8° | 119.6° |
| C4 | C9 | N10 | 117.7° | 121.1° |
| C4 | C9 | C8 | 119.5° | 119.1° |
| C5 | C6 | C7 | 121.1° | 121.0° |
| C6 | C5 | H2 | 119.8° | 119.5° |
| C5 | C6 | H3 | 119.5° | 119.5° |
| C36 | C45 | C44 | 120.4° | 120.8° |
| C45 | C36 | C37 | 119.6° | 119.5° |
| C36 | C45 | H35 | 119.8° | 119.7° |
| C45 | C44 | C43 | 121.3° | 121.0° |
| C45 | C44 | H34 | 119.4° | 119.5° |
| C44 | C45 | H35 | 119.8° | 119.5° |
| C36 | C37 | N38 | 118.0° | 121.1° |
| C36 | C37 | C42 | 119.4° | 119.0° |
| C6 | C7 | C8 | 120.9° | 119.9° |
| C7 | C6 | H3 | 119.5° | 119.5° |
| C6 | C7 | H4 | 119.6° | 120.1° |
| N10 | C9 | C8 | 122.6° | 119.9° |
| C9 | N10 | C11 | 117.4° | 121.3° |
| C9 | C8 | C7 | 118.3° | 119.7° |
| C9 | C8 | C13 | 116.5° | 119.0° |
| N10 | C11 | C12 | 124.4° | 121.7° |
| N10 | C11 | H17 | 117.8° | 119.1° |
| C44 | C43 | C42 | 120.6° | 119.9° |
| C44 | C43 | H33 | 119.7° | 120.0° |
| C43 | C44 | H34 | 119.3° | 119.6° |
| C7 | C8 | C13 | 124.8° | 121.3° |
| C8 | C7 | H4 | 119.5° | 120.0° |
| C8 | C13 | C12 | 120.4° | 118.1° |
| C8 | C13 | H5 | 119.8° | 120.9° |
| N38 | C37 | C42 | 122.6° | 119.9° |
| C37 | N38 | C39 | 117.3° | 121.3° |
| C37 | C42 | C43 | 118.6° | 119.8° |
| C37 | C42 | C41 | 116.8° | 119.0° |
| C11 | C12 | C13 | 118.6° | 120.0° |
| C12 | C11 | H17 | 117.8° | 119.2° |
| C11 | C12 | H18 | 120.7° | 120.0° |
| N38 | C39 | C40 | 124.5° | 121.7° |
| N38 | C39 | H30 | 117.8° | 119.2° |
| C43 | C42 | C41 | 124.6° | 121.2° |
| C42 | C43 | H33 | 119.7° | 120.1° |
| C12 | C13 | H5 | 119.8° | 121.0° |
| C13 | C12 | H18 | 120.7° | 120.0° |
| C42 | C41 | C40 | 120.2° | 118.1° |
| C42 | C41 | H32 | 119.9° | 120.9° |
| C39 | C40 | C41 | 118.6° | 119.9° |
| C40 | C39 | H30 | 117.8° | 119.1° |
| C39 | C40 | H31 | 120.7° | 120.1° |
| C41 | C40 | H31 | 120.7° | 120.0° |
| C40 | C41 | H32 | 119.9° | 120.9° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.4° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.4° | 110.6° |
| H26 | C32 | H27 | 109.5° | 109.4° |
| H28 | C33 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C30 | N29 | N27 | 179.0° | 180.0° |
| O31 | C30 | N29 | C28 | 177.8° | 180.0° |
| O31 | C30 | N27 | C26 | 175.2° | 179.9° |
| O31 | C30 | N27 | H38 | 4.8° | 0.0° |
| O31 | C30 | N29 | H39 | 2.2° | 0.1° |
| C30 | N29 | C28 | H39 | 180.0° | 179.9° |
| N29 | C30 | N27 | C26 | 3.7° | 0.1° |
| C30 | N29 | C28 | C26 | 1.5° | 0.2° |
| C30 | N29 | C28 | C23 | 120.1° | 120.3° |
| C30 | N29 | C28 | H16 | 114.9° | 118.2° |
| N29 | C30 | N27 | H38 | 176.3° | 180.0° |
| N27 | C30 | N29 | C28 | 1.2° | 0.0° |
| C30 | N27 | C26 | H38 | 180.0° | 179.9° |
| C30 | N27 | C26 | C28 | 4.5° | 0.2° |
| C30 | N27 | C26 | C25 | 115.2° | 120.1° |
| C30 | N27 | C26 | H15 | 120.3° | 118.6° |
| N27 | C30 | N29 | H39 | 178.8° | 179.9° |
| N29 | C28 | C26 | N27 | 3.4° | 0.2° |
| N29 | C28 | C23 | C22 | 41.2° | 28.1° |
| N29 | C28 | C26 | C23 | 122.8° | 118.0° |
| N29 | C28 | C26 | H16 | 117.5° | 118.5° |
| N29 | C28 | C23 | H16 | 125.6° | 121.7° |
| N29 | C28 | C23 | S24 | 82.5° | 90.2° |
| N29 | C28 | C26 | C25 | 120.4° | 118.0° |
| N29 | C28 | C26 | H15 | 120.2° | 118.6° |
| N29 | C28 | C23 | H23 | 165.5° | 151.3° |
| N27 | C26 | C28 | C25 | 123.8° | 118.2° |
| N27 | C26 | C28 | H15 | 116.8° | 118.4° |
| N27 | C26 | C28 | C23 | 126.2° | 118.2° |
| N27 | C26 | C25 | S24 | 86.5° | 90.7° |
| N27 | C26 | C25 | H15 | 125.0° | 121.2° |
| N27 | C26 | C28 | H16 | 114.1° | 118.3° |
| N27 | C26 | C25 | H24 | 32.6° | 151.3° |
| N27 | C26 | C25 | H25 | 154.4° | 28.2° |
| C23 | C22 | C21 | H13 | 120.6° | 120.0° |
| C23 | C22 | C21 | H14 | 120.6° | 120.0° |
| C23 | C22 | C21 | C20 | 178.9° | 180.0° |
| C22 | C23 | C28 | C26 | 156.0° | 142.9° |
| C22 | C23 | C28 | S24 | 123.6° | 118.3° |
| C22 | C23 | C28 | H23 | 124.3° | 123.2° |
| C22 | C23 | S24 | H23 | 119.3° | 123.4° |
| C22 | C23 | S24 | C25 | 170.4° | 153.0° |
| C23 | C22 | C21 | H11 | 60.4° | 60.0° |
| C23 | C22 | C21 | H12 | 58.3° | 60.0° |
| C23 | C22 | H13 | H14 | 118.3° | 120.0° |
| C22 | C23 | C28 | H16 | 84.4° | 93.6° |
| C22 | C21 | C20 | H11 | 120.7° | 120.0° |
| C22 | C21 | C20 | H12 | 120.6° | 120.0° |
| C22 | C21 | C20 | C19 | 163.4° | 180.0° |
| C21 | C22 | C23 | C28 | 166.2° | 175.0° |
| C21 | C22 | C23 | S24 | 75.4° | 71.7° |
| C22 | C21 | C20 | H9 | 76.3° | 60.0° |
| C22 | C21 | C20 | H10 | 43.1° | 60.0° |
| C22 | C21 | H11 | H12 | 118.0° | 120.0° |
| C21 | C22 | H13 | H14 | 118.2° | 120.0° |
| C21 | C22 | C23 | H23 | 42.0° | 51.8° |
| C21 | C20 | C19 | H9 | 120.3° | 120.0° |
| C21 | C20 | C19 | H10 | 120.3° | 120.0° |
| C21 | C20 | C19 | N18 | 72.3° | 180.0° |
| C21 | C20 | H9 | H10 | 119.0° | 120.0° |
| C20 | C21 | H11 | H12 | 118.0° | 120.0° |
| C20 | C21 | C22 | H13 | 58.4° | 60.0° |
| C20 | C21 | C22 | H14 | 60.5° | 60.0° |
| C21 | C20 | C19 | H21 | 47.8° | 59.9° |
| C21 | C20 | C19 | H22 | 167.7° | 60.0° |
| C20 | C19 | N18 | H21 | 120.0° | 120.0° |
| C20 | C19 | N18 | H22 | 120.0° | 120.0° |
| C20 | C19 | N18 | C17 | 176.5° | 180.0° |
| C19 | C20 | H9 | H10 | 119.0° | 120.0° |
| C19 | C20 | C21 | H11 | 42.8° | 60.0° |
| C19 | C20 | C21 | H12 | 75.9° | 60.0° |
| C20 | C19 | H21 | H22 | 119.9° | 120.0° |
| C20 | C19 | N18 | H36 | 62.6° | 56.0° |
| C26 | C28 | C23 | H16 | 119.6° | 123.5° |
| C26 | C28 | C23 | S24 | 32.3° | 24.6° |
| C28 | C26 | C25 | S24 | 29.3° | 24.6° |
| C28 | C26 | C25 | H15 | 119.2° | 123.5° |
| C26 | C28 | C23 | H23 | 79.7° | 93.8° |
| C28 | C26 | C25 | H24 | 148.4° | 93.4° |
| C28 | C26 | C25 | H25 | 89.8° | 143.5° |
| C28 | C26 | N27 | H38 | 175.5° | 179.9° |
| C26 | C28 | N29 | H39 | 178.5° | 179.9° |
| C28 | C23 | S24 | H23 | 114.3° | 118.3° |
| C28 | C23 | S24 | C25 | 44.0° | 34.7° |
| C23 | C28 | C26 | C25 | 2.4° | 0.0° |
| C28 | C23 | C22 | H13 | 73.2° | 55.0° |
| C28 | C23 | C22 | H14 | 45.7° | 65.0° |
| C23 | C28 | C26 | H15 | 117.0° | 123.4° |
| C23 | C28 | N29 | H39 | 59.9° | 59.8° |
| C23 | S24 | C25 | C26 | 42.8° | 34.7° |
| S24 | C23 | C22 | H13 | 45.2° | 168.3° |
| S24 | C23 | C22 | H14 | 164.1° | 48.3° |
| S24 | C23 | C28 | H16 | 152.0° | 148.1° |
| C23 | S24 | C25 | H24 | 161.9° | 83.5° |
| C23 | S24 | C25 | H25 | 76.3° | 153.2° |
| S24 | C25 | C26 | H24 | 119.1° | 118.0° |
| S24 | C25 | C26 | H25 | 119.1° | 118.9° |
| S24 | C25 | C26 | H15 | 148.5° | 148.1° |
| C25 | S24 | C23 | H23 | 70.3° | 83.7° |
| S24 | C25 | H24 | H25 | 122.6° | 123.6° |
| C25 | C26 | C28 | H16 | 122.1° | 123.5° |
| C26 | C25 | H24 | H25 | 122.7° | 123.2° |
| C25 | C26 | N27 | H38 | 64.8° | 59.7° |
| C19 | N18 | C17 | H36 | 120.9° | 124.0° |
| C19 | N18 | C17 | C32 | 150.2° | 155.0° |
| C19 | N18 | C17 | C16 | 85.6° | 85.0° |
| C19 | N18 | C17 | H8 | 32.6° | 35.0° |
| N18 | C19 | C20 | H9 | 167.4° | 60.0° |
| N18 | C19 | C20 | H10 | 48.1° | 60.0° |
| N18 | C19 | H21 | H22 | 119.9° | 120.0° |
| N18 | C17 | C32 | C16 | 124.4° | 120.0° |
| N18 | C17 | C32 | H8 | 117.7° | 120.0° |
| N18 | C17 | C16 | H8 | 118.2° | 120.0° |
| N18 | C17 | C32 | C33 | 173.3° | 180.0° |
| N18 | C17 | C16 | C15 | 176.1° | 180.0° |
| N18 | C17 | C16 | H19 | 63.9° | 60.0° |
| N18 | C17 | C16 | H20 | 56.2° | 60.0° |
| C17 | N18 | C19 | H21 | 56.4° | 60.0° |
| C17 | N18 | C19 | H22 | 63.5° | 60.0° |
| N18 | C17 | C32 | H26 | 53.4° | 60.0° |
| N18 | C17 | C32 | H27 | 66.9° | 60.0° |
| C32 | C17 | C16 | H8 | 117.9° | 120.0° |
| C17 | C32 | C33 | H26 | 119.9° | 120.0° |
| C17 | C32 | C33 | H27 | 119.8° | 120.0° |
| C32 | C17 | C16 | C15 | 60.0° | 60.0° |
| C17 | C32 | C33 | C14 | 58.3° | 60.0° |
| C32 | C17 | C16 | H19 | 59.9° | 180.0° |
| C32 | C17 | C16 | H20 | 180.0° | 60.0° |
| C17 | C32 | H26 | H27 | 120.4° | 120.0° |
| C17 | C32 | C33 | H28 | 62.1° | 180.0° |
| C17 | C32 | C33 | H29 | 178.8° | 60.0° |
| C32 | C17 | N18 | H36 | 29.2° | 31.0° |
| C16 | C17 | C32 | C33 | 62.3° | 60.0° |
| C17 | C16 | C15 | H19 | 120.0° | 120.0° |
| C17 | C16 | C15 | H20 | 120.0° | 120.0° |
| C17 | C16 | C15 | C14 | 54.1° | 60.0° |
| C17 | C16 | C15 | H6 | 174.8° | 60.0° |
| C17 | C16 | C15 | H7 | 66.5° | 180.0° |
| C17 | C16 | H19 | H20 | 120.2° | 120.0° |
| C16 | C17 | C32 | H26 | 177.8° | 180.0° |
| C16 | C17 | C32 | H27 | 57.5° | 60.0° |
| C16 | C17 | N18 | H36 | 153.5° | 151.0° |
| C32 | C33 | C14 | H28 | 120.4° | 120.0° |
| C32 | C33 | C14 | H29 | 120.4° | 119.9° |
| C32 | C33 | C14 | C15 | 52.1° | 60.0° |
| C32 | C33 | C14 | C2 | 65.8° | 60.0° |
| C32 | C33 | C14 | C34 | 175.3° | 180.0° |
| C33 | C32 | C17 | H8 | 55.6° | 60.0° |
| C33 | C32 | H26 | H27 | 120.4° | 119.9° |
| C32 | C33 | H28 | H29 | 118.6° | 120.0° |
| C16 | C15 | C14 | C33 | 50.2° | 60.0° |
| C16 | C15 | C14 | H6 | 120.7° | 120.0° |
| C16 | C15 | C14 | H7 | 120.6° | 120.0° |
| C16 | C15 | C14 | C2 | 65.1° | 60.0° |
| C16 | C15 | C14 | C34 | 175.3° | 180.0° |
| C16 | C15 | H6 | H7 | 118.0° | 120.0° |
| C15 | C16 | C17 | H8 | 57.9° | 60.0° |
| C15 | C16 | H19 | H20 | 120.1° | 120.0° |
| C33 | C14 | C15 | C2 | 115.3° | 120.0° |
| C33 | C14 | C15 | C34 | 125.1° | 120.0° |
| C33 | C14 | C2 | C34 | 121.6° | 120.0° |
| C33 | C14 | C2 | O1 | 13.9° | 129.9° |
| C33 | C14 | C34 | O46 | 5.1° | 126.6° |
| C33 | C14 | C2 | N3 | 166.4° | 50.0° |
| C33 | C14 | C34 | N35 | 174.4° | 53.4° |
| C33 | C14 | C15 | H6 | 170.9° | 60.0° |
| C33 | C14 | C15 | H7 | 70.4° | 180.0° |
| C14 | C33 | C32 | H26 | 178.2° | 180.0° |
| C14 | C33 | C32 | H27 | 61.5° | 60.1° |
| C14 | C33 | H28 | H29 | 118.7° | 120.0° |
| C15 | C14 | C2 | C34 | 120.2° | 120.0° |
| C15 | C14 | C2 | O1 | 132.0° | 9.9° |
| C15 | C14 | C34 | O46 | 118.2° | 6.5° |
| C15 | C14 | C2 | N3 | 48.3° | 170.0° |
| C15 | C14 | C34 | N35 | 62.4° | 173.4° |
| C14 | C15 | H6 | H7 | 118.0° | 120.0° |
| C14 | C15 | C16 | H19 | 65.8° | 180.0° |
| C14 | C15 | C16 | H20 | 174.1° | 60.0° |
| C15 | C14 | C33 | H28 | 68.4° | 180.0° |
| C15 | C14 | C33 | H29 | 172.5° | 60.0° |
| C14 | C2 | O1 | N3 | 179.6° | 179.9° |
| C2 | C14 | C34 | O46 | 121.8° | 113.5° |
| C2 | C14 | C34 | N35 | 57.6° | 66.6° |
| C14 | C2 | N3 | C4 | 178.7° | 176.2° |
| C14 | C2 | N3 | H1 | 1.2° | 4.0° |
| C2 | C14 | C15 | H6 | 55.6° | 180.0° |
| C2 | C14 | C15 | H7 | 174.3° | 60.0° |
| C2 | C14 | C33 | H28 | 173.7° | 60.0° |
| C2 | C14 | C33 | H29 | 54.6° | 180.0° |
| C34 | C14 | C2 | O1 | 107.7° | 110.1° |
| C14 | C34 | O46 | N35 | 179.4° | 180.0° |
| C34 | C14 | C2 | N3 | 71.9° | 70.0° |
| C14 | C34 | N35 | C36 | 176.6° | 174.7° |
| C34 | C14 | C15 | H6 | 64.1° | 60.0° |
| C34 | C14 | C15 | H7 | 54.7° | 60.0° |
| C34 | C14 | C33 | H28 | 54.9° | 60.0° |
| C34 | C14 | C33 | H29 | 64.3° | 60.1° |
| C14 | C34 | N35 | H40 | 3.4° | 5.3° |
| O1 | C2 | N3 | C4 | 1.6° | 3.9° |
| O1 | C2 | N3 | H1 | 178.4° | 175.9° |
| O46 | C34 | N35 | C36 | 3.9° | 5.3° |
| O46 | C34 | N35 | H40 | 176.1° | 174.7° |
| C2 | N3 | C4 | H1 | 180.0° | 179.8° |
| C2 | N3 | C4 | C5 | 0.1° | 25.5° |
| C2 | N3 | C4 | C9 | 174.0° | 154.2° |
| C34 | N35 | C36 | H40 | 180.0° | 180.0° |
| C34 | N35 | C36 | C45 | 8.7° | 30.0° |
| C34 | N35 | C36 | C37 | 172.6° | 149.7° |
| N3 | C4 | C5 | C9 | 173.6° | 179.8° |
| N3 | C4 | C5 | C6 | 173.0° | 180.0° |
| N3 | C4 | C9 | N10 | 12.1° | 0.0° |
| N3 | C4 | C9 | C8 | 173.5° | 179.8° |
| N3 | C4 | C5 | H2 | 7.0° | 0.0° |
| N35 | C36 | C45 | C37 | 178.7° | 179.7° |
| N35 | C36 | C45 | C44 | 178.8° | 179.7° |
| N35 | C36 | C37 | N38 | 2.4° | 0.2° |
| N35 | C36 | C37 | C42 | 179.0° | 179.7° |
| N35 | C36 | C45 | H35 | 1.2° | 0.2° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C9 | N10 | 173.7° | 179.8° |
| C5 | C4 | C9 | C8 | 0.7° | 0.5° |
| C5 | C4 | N3 | H1 | 179.8° | 154.3° |
| C4 | C5 | C6 | H3 | 179.8° | 179.9° |
| C9 | C4 | C5 | C6 | 0.6° | 0.3° |
| C4 | C9 | N10 | C8 | 174.2° | 179.7° |
| C4 | C9 | N10 | C11 | 174.2° | 179.2° |
| C4 | C9 | C8 | C7 | 0.4° | 0.4° |
| C4 | C9 | C8 | C13 | 174.4° | 179.7° |
| C9 | C4 | N3 | H1 | 5.9° | 25.9° |
| C9 | C4 | C5 | H2 | 179.4° | 179.7° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H4 | 179.8° | 180.0° |
| C36 | C45 | C44 | H35 | 180.0° | 179.9° |
| C36 | C45 | C44 | C43 | 0.1° | 0.1° |
| C45 | C36 | C37 | N38 | 178.8° | 179.9° |
| C45 | C36 | C37 | C42 | 0.2° | 0.0° |
| C36 | C45 | C44 | H34 | 180.0° | 180.0° |
| C45 | C36 | N35 | H40 | 171.3° | 150.0° |
| C44 | C45 | C36 | C37 | 0.1° | 0.1° |
| C45 | C44 | C43 | H34 | 180.0° | 179.9° |
| C45 | C44 | C43 | C42 | 0.1° | 0.0° |
| C45 | C44 | C43 | H33 | 179.9° | 179.9° |
| C36 | C37 | N38 | C42 | 178.6° | 179.9° |
| C36 | C37 | N38 | C39 | 178.5° | 180.0° |
| C36 | C37 | C42 | C43 | 0.2° | 0.0° |
| C36 | C37 | C42 | C41 | 178.6° | 180.0° |
| C37 | C36 | C45 | H35 | 179.9° | 180.0° |
| C37 | C36 | N35 | H40 | 7.4° | 30.3° |
| C6 | C7 | C8 | C9 | 0.0° | 0.2° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C13 | 173.4° | 179.9° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| N10 | C9 | C8 | C7 | 173.7° | 179.8° |
| N10 | C9 | C8 | C13 | 0.2° | 0.1° |
| C9 | N10 | C11 | C12 | 0.2° | 0.8° |
| C9 | N10 | C11 | H17 | 179.8° | 179.8° |
| C8 | C9 | N10 | C11 | 0.0° | 0.5° |
| C9 | C8 | C7 | C13 | 173.4° | 179.9° |
| C9 | C8 | C13 | C12 | 0.3° | 0.1° |
| C9 | C8 | C7 | H4 | 179.9° | 179.8° |
| C9 | C8 | C13 | H5 | 179.6° | 179.8° |
| N10 | C11 | C12 | H17 | 180.0° | 179.4° |
| N10 | C11 | C12 | C13 | 0.1° | 0.6° |
| N10 | C11 | C12 | H18 | 179.9° | 179.5° |
| C44 | C43 | C42 | C37 | 0.1° | 0.0° |
| C44 | C43 | C42 | H33 | 180.0° | 179.9° |
| C44 | C43 | C42 | C41 | 178.5° | 180.0° |
| C43 | C44 | C45 | H35 | 179.9° | 180.0° |
| C7 | C8 | C13 | C12 | 173.2° | 180.0° |
| C8 | C7 | C6 | H3 | 179.9° | 180.0° |
| C7 | C8 | C13 | H5 | 6.8° | 0.1° |
| C8 | C13 | C12 | C11 | 0.2° | 0.1° |
| C8 | C13 | C12 | H5 | 180.0° | 179.9° |
| C13 | C8 | C7 | H4 | 6.6° | 0.1° |
| C8 | C13 | C12 | H18 | 179.8° | 180.0° |
| N38 | C37 | C42 | C43 | 178.8° | 179.9° |
| N38 | C37 | C42 | C41 | 0.0° | 0.1° |
| C37 | N38 | C39 | C40 | 0.1° | 0.1° |
| C37 | N38 | C39 | H30 | 179.9° | 180.0° |
| C42 | C37 | N38 | C39 | 0.1° | 0.1° |
| C37 | C42 | C43 | C41 | 178.7° | 180.0° |
| C37 | C42 | C41 | C40 | 0.0° | 0.1° |
| C37 | C42 | C41 | H32 | 180.0° | 180.0° |
| C37 | C42 | C43 | H33 | 179.9° | 179.9° |
| C11 | C12 | C13 | H18 | 180.0° | 179.9° |
| C11 | C12 | C13 | H5 | 179.8° | 180.0° |
| N38 | C39 | C40 | H30 | 180.0° | 179.9° |
| N38 | C39 | C40 | C41 | 0.1° | 0.1° |
| N38 | C39 | C40 | H31 | 179.9° | 180.0° |
| C43 | C42 | C41 | C40 | 178.7° | 179.9° |
| C43 | C42 | C41 | H32 | 1.3° | 0.1° |
| C42 | C43 | C44 | H34 | 180.0° | 180.0° |
| C13 | C12 | C11 | H17 | 179.9° | 180.0° |
| C42 | C41 | C40 | C39 | 0.0° | 0.1° |
| C42 | C41 | C40 | H32 | 180.0° | 179.9° |
| C42 | C41 | C40 | H31 | 179.9° | 180.0° |
| C41 | C42 | C43 | H33 | 1.5° | 0.1° |
| C39 | C40 | C41 | H31 | 180.0° | 179.9° |
| C39 | C40 | C41 | H32 | 179.9° | 180.0° |
| C41 | C40 | C39 | H30 | 179.9° | 180.0° |
| H2 | C5 | C6 | H3 | 0.2° | 0.1° |
| H3 | C6 | C7 | H4 | 0.2° | 0.0° |
| H5 | C13 | C12 | H18 | 0.2° | 0.1° |
| H6 | C15 | C16 | H19 | 54.8° | 60.0° |
| H6 | C15 | C16 | H20 | 65.3° | 179.9° |
| H7 | C15 | C16 | H19 | 173.5° | 60.0° |
| H7 | C15 | C16 | H20 | 53.5° | 60.0° |
| H8 | C17 | C16 | H19 | 177.8° | 60.0° |
| H8 | C17 | C16 | H20 | 62.1° | 180.0° |
| H8 | C17 | C32 | H26 | 64.3° | 60.0° |
| H8 | C17 | C32 | H27 | 175.4° | 180.0° |
| H8 | C17 | N18 | H36 | 88.4° | 89.0° |
| H9 | C20 | C21 | H11 | 163.1° | 60.0° |
| H9 | C20 | C21 | H12 | 44.4° | 179.9° |
| H9 | C20 | C19 | H21 | 72.6° | 180.0° |
| H9 | C20 | C19 | H22 | 47.4° | 60.0° |
| H10 | C20 | C21 | H11 | 77.5° | 180.0° |
| H10 | C20 | C21 | H12 | 163.7° | 60.0° |
| H10 | C20 | C19 | H21 | 168.1° | 60.1° |
| H10 | C20 | C19 | H22 | 72.0° | 180.0° |
| H11 | C21 | C22 | H13 | 179.0° | 180.0° |
| H11 | C21 | C22 | H14 | 60.1° | 59.9° |
| H12 | C21 | C22 | H13 | 62.3° | 59.9° |
| H12 | C21 | C22 | H14 | 178.9° | 180.0° |
| H13 | C22 | C23 | H23 | 162.5° | 68.2° |
| H14 | C22 | C23 | H23 | 78.6° | 171.7° |
| H15 | C26 | C28 | H16 | 2.7° | 0.1° |
| H15 | C26 | C25 | H24 | 92.4° | 30.1° |
| H15 | C26 | C25 | H25 | 29.4° | 93.0° |
| H15 | C26 | N27 | H38 | 59.7° | 61.5° |
| H16 | C28 | C23 | H23 | 39.9° | 29.7° |
| H16 | C28 | N29 | H39 | 65.0° | 61.7° |
| H17 | C11 | C12 | H18 | 0.1° | 0.1° |
| H21 | C19 | N18 | H36 | 177.4° | 176.1° |
| H22 | C19 | N18 | H36 | 57.4° | 63.9° |
| H26 | C32 | C33 | H28 | 57.7° | 60.0° |
| H26 | C32 | C33 | H29 | 61.4° | 60.1° |
| H27 | C32 | C33 | H28 | 178.0° | 59.9° |
| H27 | C32 | C33 | H29 | 58.9° | 180.0° |
| H30 | C39 | C40 | H31 | 0.1° | 0.1° |
| H31 | C40 | C41 | H32 | 0.1° | 0.1° |
| H33 | C43 | C44 | H34 | 0.0° | 0.0° |
| H34 | C44 | C45 | H35 | 0.0° | 0.1° |
