79D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| O21 | C20 | sing | 1.36Å | 1.37Å | |
| O24 | C23 | doub | 1.22Å | 1.21Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.48Å | 1.49Å | |
| C23 | N25 | sing | 1.35Å | 1.36Å | |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.41Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.39Å | 1.39Å | |
| N33 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| N33 | C34 | sing | 1.33Å | 1.32Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | N25 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C32 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | N29 | sing | 1.47Å | 1.47Å | |
| C34 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | N29 | sing | 1.47Å | 1.48Å | |
| N12 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| C30 | N29 | sing | 1.47Å | 1.47Å | |
| C35 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C35 | N36 | sing | 1.40Å | 1.40Å | |
| C11 | N5 | sing | 1.38Å | 1.38Å | |
| C37 | N36 | sing | 1.34Å | 1.35Å | Aromatic |
| C37 | N38 | doub | 1.31Å | 1.30Å | Aromatic |
| N36 | C42 | sing | 1.38Å | 1.37Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| N5 | C3 | sing | 1.47Å | 1.49Å | |
| C6 | C10 | sing | 1.54Å | 1.55Å | |
| C6 | C7 | sing | 1.55Å | 1.56Å | |
| N38 | C39 | sing | 1.36Å | 1.37Å | Aromatic |
| C42 | C3 | sing | 1.50Å | 1.50Å | |
| C42 | C39 | doub | 1.35Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C39 | C40 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C40 | N41 | trip | 1.14Å | 1.12Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| N14 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| N25 | H26 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C37 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O21 | C20 | 121.3° | 117.0° |
| O21 | C22 | H9 | 109.5° | 109.5° |
| O21 | C22 | H10 | 109.5° | 109.5° |
| O21 | C22 | H11 | 109.5° | 109.5° |
| O21 | C20 | C19 | 122.7° | 120.0° |
| O21 | C20 | C15 | 116.3° | 120.1° |
| O24 | C23 | C18 | 118.2° | 120.0° |
| O24 | C23 | N25 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.2° | 119.8° |
| C19 | C20 | C15 | 121.0° | 120.0° |
| C20 | C19 | H25 | 120.4° | 120.1° |
| C19 | C18 | C23 | 120.4° | 120.0° |
| C19 | C18 | C17 | 118.9° | 119.9° |
| C18 | C19 | H25 | 120.4° | 120.1° |
| C20 | C15 | N14 | 116.1° | 119.9° |
| C20 | C15 | C16 | 119.9° | 120.1° |
| C18 | C23 | N25 | 121.8° | 120.0° |
| C23 | C18 | C17 | 120.7° | 120.0° |
| C23 | N25 | C26 | 124.9° | 120.0° |
| C23 | N25 | H26 | 117.6° | 120.0° |
| C18 | C17 | C16 | 121.7° | 120.0° |
| C18 | C17 | H8 | 119.2° | 120.0° |
| N14 | C15 | C16 | 124.0° | 119.9° |
| C15 | N14 | C13 | 129.1° | 119.9° |
| C15 | N14 | H23 | 115.4° | 120.0° |
| C15 | C16 | C17 | 119.3° | 120.1° |
| C15 | C16 | H24 | 120.3° | 119.9° |
| N14 | C13 | N33 | 116.0° | 118.9° |
| N14 | C13 | N12 | 122.4° | 118.8° |
| C13 | N14 | H23 | 115.4° | 120.0° |
| C13 | N33 | C34 | 121.7° | 120.7° |
| N33 | C13 | N12 | 121.6° | 122.3° |
| N33 | C34 | C35 | 118.0° | 118.8° |
| N33 | C34 | H37 | 121.0° | 120.6° |
| C16 | C17 | H8 | 119.1° | 120.0° |
| C17 | C16 | H24 | 120.3° | 119.9° |
| N25 | C26 | C27 | 107.9° | 109.5° |
| N25 | C26 | C32 | 111.7° | 109.5° |
| N25 | C26 | H12 | 110.3° | 109.5° |
| C26 | N25 | H26 | 117.5° | 120.0° |
| C27 | C26 | C32 | 107.8° | 109.1° |
| C26 | C27 | C28 | 111.4° | 109.3° |
| C27 | C26 | H12 | 109.5° | 109.6° |
| C26 | C27 | H27 | 109.0° | 109.5° |
| C26 | C27 | H28 | 109.0° | 109.5° |
| C26 | C32 | C31 | 110.5° | 109.2° |
| C32 | C26 | H12 | 109.5° | 109.6° |
| C26 | C32 | H35 | 109.2° | 109.5° |
| C26 | C32 | H36 | 109.2° | 109.5° |
| C13 | N12 | C11 | 120.9° | 120.7° |
| C27 | C28 | N29 | 110.4° | 109.5° |
| C27 | C28 | H13 | 109.2° | 109.5° |
| C27 | C28 | H14 | 109.2° | 109.4° |
| C28 | C27 | H27 | 109.0° | 109.5° |
| C28 | C27 | H28 | 109.0° | 109.5° |
| C28 | N29 | C31 | 113.2° | 111.2° |
| C28 | N29 | C30 | 109.2° | 111.0° |
| N29 | C28 | H13 | 109.2° | 109.5° |
| N29 | C28 | H14 | 109.3° | 109.4° |
| C34 | C35 | C11 | 120.2° | 119.6° |
| C34 | C35 | N36 | 121.0° | 122.7° |
| C35 | C34 | H37 | 121.0° | 120.6° |
| C32 | C31 | N29 | 112.9° | 109.5° |
| C32 | C31 | H33 | 108.6° | 109.5° |
| C32 | C31 | H34 | 108.6° | 109.4° |
| C31 | C32 | H35 | 109.2° | 109.5° |
| C31 | C32 | H36 | 109.2° | 109.5° |
| C31 | N29 | C30 | 110.8° | 111.0° |
| N29 | C31 | H33 | 108.6° | 109.5° |
| N29 | C31 | H34 | 108.6° | 109.4° |
| N12 | C11 | C35 | 117.6° | 117.9° |
| N12 | C11 | N5 | 121.1° | 120.1° |
| N29 | C30 | H30 | 109.5° | 109.5° |
| N29 | C30 | H31 | 109.5° | 109.5° |
| N29 | C30 | H32 | 109.5° | 109.5° |
| C11 | C35 | N36 | 118.7° | 117.7° |
| C35 | C11 | N5 | 121.3° | 121.9° |
| C35 | N36 | C37 | 131.0° | 132.8° |
| C35 | N36 | C42 | 120.7° | 119.5° |
| C11 | N5 | C6 | 116.6° | 111.0° |
| C11 | N5 | C3 | 121.4° | 115.1° |
| N36 | C37 | N38 | 109.2° | 108.9° |
| C37 | N36 | C42 | 108.1° | 107.6° |
| N36 | C37 | H38 | 125.4° | 125.6° |
| C37 | N38 | C39 | 107.6° | 109.2° |
| N38 | C37 | H38 | 125.4° | 125.6° |
| N36 | C42 | C3 | 123.1° | 121.4° |
| N36 | C42 | C39 | 105.8° | 106.9° |
| C6 | N5 | C3 | 121.8° | 111.0° |
| N5 | C6 | C10 | 112.4° | 110.5° |
| N5 | C6 | C7 | 115.1° | 110.5° |
| N5 | C6 | H1 | 108.9° | 110.5° |
| N5 | C3 | C42 | 109.7° | 109.2° |
| N5 | C3 | C2 | 114.0° | 109.6° |
| N5 | C3 | H20 | 108.3° | 109.5° |
| C10 | C6 | C7 | 104.2° | 104.2° |
| C6 | C10 | C9 | 105.8° | 106.6° |
| C10 | C6 | H1 | 108.1° | 110.5° |
| C6 | C10 | H6 | 110.4° | 110.0° |
| C6 | C10 | H7 | 110.4° | 110.0° |
| C6 | C7 | C8 | 100.7° | 102.8° |
| C7 | C6 | H1 | 107.9° | 110.5° |
| C6 | C7 | H2 | 111.6° | 110.8° |
| C6 | C7 | H3 | 111.6° | 110.8° |
| N38 | C39 | C42 | 109.3° | 107.4° |
| N38 | C39 | C40 | 126.8° | 126.3° |
| C3 | C42 | C39 | 131.0° | 131.7° |
| C42 | C3 | C2 | 108.9° | 109.5° |
| C42 | C3 | H20 | 108.1° | 109.6° |
| C42 | C39 | C40 | 123.9° | 126.3° |
| C10 | C9 | C8 | 106.1° | 106.6° |
| C9 | C10 | H6 | 110.4° | 110.0° |
| C9 | C10 | H7 | 110.4° | 110.1° |
| C10 | C9 | H21 | 110.3° | 110.0° |
| C10 | C9 | H22 | 110.3° | 110.0° |
| C7 | C8 | C9 | 104.0° | 104.2° |
| C8 | C7 | H2 | 111.6° | 110.7° |
| C8 | C7 | H3 | 111.7° | 110.7° |
| C7 | C8 | H4 | 110.8° | 110.5° |
| C7 | C8 | H5 | 110.8° | 110.5° |
| C9 | C8 | H4 | 110.8° | 110.5° |
| C9 | C8 | H5 | 110.8° | 110.5° |
| C8 | C9 | H21 | 110.3° | 110.0° |
| C8 | C9 | H22 | 110.3° | 110.0° |
| C3 | C2 | C1 | 114.0° | 109.5° |
| C3 | C2 | H18 | 108.3° | 109.4° |
| C3 | C2 | H19 | 108.3° | 109.5° |
| C2 | C3 | H20 | 107.6° | 109.5° |
| C39 | C40 | N41 | 178.6° | 180.0° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| C1 | C2 | H18 | 108.3° | 109.4° |
| C1 | C2 | H19 | 108.3° | 109.5° |
| H2 | C7 | H3 | 109.5° | 110.8° |
| H4 | C8 | H5 | 109.5° | 110.5° |
| H6 | C10 | H7 | 109.5° | 110.0° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.4° | 109.4° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.4° | 110.1° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.4° | 109.4° |
| H30 | C30 | H32 | 109.4° | 109.4° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | O21 | C20 | C19 | 14.7° | 0.0° |
| C22 | O21 | C20 | C15 | 165.3° | 180.0° |
| O21 | C22 | H9 | H10 | 120.0° | 120.1° |
| O21 | C22 | H9 | H11 | 120.0° | 120.0° |
| O21 | C22 | H10 | H11 | 120.0° | 120.0° |
| O21 | C20 | C19 | C15 | 179.9° | 180.0° |
| O21 | C20 | C19 | C18 | 179.5° | 180.0° |
| O21 | C20 | C15 | N14 | 0.2° | 0.0° |
| O21 | C20 | C15 | C16 | 179.8° | 179.8° |
| C20 | O21 | C22 | H9 | 180.0° | 60.1° |
| C20 | O21 | C22 | H10 | 60.0° | 60.0° |
| C20 | O21 | C22 | H11 | 60.0° | 180.0° |
| O21 | C20 | C19 | H25 | 0.5° | 0.0° |
| O24 | C23 | C18 | C19 | 30.2° | 0.2° |
| O24 | C23 | C18 | N25 | 179.7° | 179.9° |
| O24 | C23 | C18 | C17 | 148.6° | 180.0° |
| O24 | C23 | N25 | C26 | 0.8° | 0.0° |
| O24 | C23 | N25 | H26 | 179.2° | 179.9° |
| C20 | C19 | C18 | H25 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 1.1° | 0.3° |
| C19 | C20 | C15 | N14 | 179.7° | 180.0° |
| C19 | C20 | C15 | C16 | 0.2° | 0.2° |
| C18 | C19 | C20 | C15 | 0.5° | 0.0° |
| C19 | C18 | C23 | C17 | 178.8° | 179.8° |
| C19 | C18 | C23 | N25 | 150.1° | 179.7° |
| C19 | C18 | C17 | C16 | 1.1° | 0.3° |
| C19 | C18 | C17 | H8 | 178.9° | 179.7° |
| C20 | C15 | N14 | C16 | 179.6° | 179.8° |
| C20 | C15 | N14 | C13 | 166.1° | 148.7° |
| C20 | C15 | C16 | C17 | 0.2° | 0.2° |
| C20 | C15 | N14 | H23 | 13.9° | 31.3° |
| C20 | C15 | C16 | H24 | 179.8° | 179.7° |
| C15 | C20 | C19 | H25 | 179.5° | 180.0° |
| C23 | C18 | C17 | C16 | 179.9° | 179.9° |
| C18 | C23 | N25 | C26 | 178.9° | 180.0° |
| C23 | C18 | C17 | H8 | 0.1° | 0.1° |
| C23 | C18 | C19 | H25 | 0.1° | 0.1° |
| C18 | C23 | N25 | H26 | 1.1° | 0.0° |
| N25 | C23 | C18 | C17 | 31.1° | 0.0° |
| C23 | N25 | C26 | H26 | 180.0° | 180.0° |
| C23 | N25 | C26 | C27 | 123.5° | 155.0° |
| C23 | N25 | C26 | C32 | 118.1° | 85.3° |
| C23 | N25 | C26 | H12 | 3.9° | 34.9° |
| C18 | C17 | C16 | C15 | 0.4° | 0.1° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | H24 | 179.6° | 180.0° |
| C17 | C18 | C19 | H25 | 178.9° | 179.7° |
| C15 | N14 | C13 | H23 | 180.0° | 180.0° |
| C15 | N14 | C13 | N33 | 179.8° | 5.9° |
| N14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C15 | N14 | C13 | N12 | 0.3° | 174.0° |
| N14 | C15 | C16 | H24 | 0.3° | 0.1° |
| C16 | C15 | N14 | C13 | 14.3° | 31.1° |
| C15 | C16 | C17 | H24 | 180.0° | 179.9° |
| C15 | C16 | C17 | H8 | 179.6° | 180.0° |
| C16 | C15 | N14 | H23 | 165.7° | 148.9° |
| N14 | C13 | N33 | N12 | 179.6° | 180.0° |
| N14 | C13 | N33 | C34 | 179.7° | 179.0° |
| N14 | C13 | N12 | C11 | 179.7° | 179.5° |
| C13 | N33 | C34 | C35 | 0.7° | 0.2° |
| N33 | C13 | N12 | C11 | 0.1° | 0.5° |
| N33 | C13 | N14 | H23 | 0.2° | 174.0° |
| C13 | N33 | C34 | H37 | 179.3° | 179.9° |
| C34 | N33 | C13 | N12 | 0.1° | 1.0° |
| N33 | C34 | C35 | H37 | 180.0° | 180.0° |
| N33 | C34 | C35 | C11 | 1.3° | 1.8° |
| N33 | C34 | C35 | N36 | 177.2° | 177.3° |
| N25 | C26 | C27 | C32 | 120.8° | 119.9° |
| N25 | C26 | C27 | H12 | 120.1° | 120.1° |
| N25 | C26 | C32 | H12 | 122.5° | 120.1° |
| N25 | C26 | C27 | C28 | 179.9° | 177.5° |
| N25 | C26 | C32 | C31 | 174.5° | 177.6° |
| N25 | C26 | C27 | H27 | 59.6° | 62.5° |
| N25 | C26 | C27 | H28 | 59.8° | 57.6° |
| N25 | C26 | C32 | H35 | 54.3° | 57.6° |
| N25 | C26 | C32 | H36 | 65.3° | 62.5° |
| C27 | C26 | C32 | H12 | 119.1° | 120.0° |
| C26 | C27 | C28 | H27 | 120.3° | 119.9° |
| C26 | C27 | C28 | H28 | 120.3° | 119.9° |
| C26 | C27 | C28 | N29 | 58.3° | 59.2° |
| C27 | C26 | C32 | C31 | 56.1° | 57.7° |
| C26 | C27 | C28 | H13 | 61.9° | 60.8° |
| C26 | C27 | C28 | H14 | 178.5° | 179.2° |
| C27 | C26 | N25 | H26 | 56.5° | 25.0° |
| C26 | C27 | H27 | H28 | 119.1° | 120.1° |
| C27 | C26 | C32 | H35 | 64.1° | 62.3° |
| C27 | C26 | C32 | H36 | 176.3° | 177.6° |
| C32 | C26 | C27 | C28 | 59.3° | 57.7° |
| C26 | C32 | C31 | H35 | 120.2° | 119.9° |
| C26 | C32 | C31 | H36 | 120.2° | 119.9° |
| C26 | C32 | C31 | N29 | 53.9° | 59.2° |
| C32 | C26 | N25 | H26 | 61.9° | 94.6° |
| C32 | C26 | C27 | H27 | 179.6° | 177.6° |
| C32 | C26 | C27 | H28 | 61.0° | 62.3° |
| C26 | C32 | C31 | H33 | 174.4° | 60.8° |
| C26 | C32 | C31 | H34 | 66.6° | 179.2° |
| C26 | C32 | H35 | H36 | 119.5° | 120.1° |
| C13 | N12 | C11 | C35 | 0.7° | 1.2° |
| C13 | N12 | C11 | N5 | 179.7° | 177.3° |
| N12 | C13 | N14 | H23 | 179.7° | 6.0° |
| C27 | C28 | N29 | H13 | 120.1° | 120.1° |
| C27 | C28 | N29 | H14 | 120.2° | 120.0° |
| C27 | C28 | N29 | C31 | 54.1° | 61.8° |
| C27 | C28 | N29 | C30 | 178.0° | 174.1° |
| C28 | C27 | C26 | H12 | 59.8° | 62.3° |
| C27 | C28 | H13 | H14 | 119.5° | 120.0° |
| C28 | C27 | H27 | H28 | 119.1° | 120.1° |
| C28 | N29 | C31 | C32 | 52.8° | 61.8° |
| C28 | N29 | C31 | C30 | 123.1° | 124.1° |
| N29 | C28 | H13 | H14 | 119.6° | 120.0° |
| N29 | C28 | C27 | H27 | 178.6° | 179.1° |
| N29 | C28 | C27 | H28 | 62.0° | 60.7° |
| C28 | N29 | C30 | H30 | 180.0° | 60.0° |
| C28 | N29 | C30 | H31 | 60.0° | 180.0° |
| C28 | N29 | C30 | H32 | 60.0° | 60.0° |
| C28 | N29 | C31 | H33 | 173.3° | 58.3° |
| C28 | N29 | C31 | H34 | 67.7° | 178.3° |
| C34 | C35 | C11 | N12 | 1.3° | 2.3° |
| C34 | C35 | C11 | N36 | 176.0° | 179.2° |
| C34 | C35 | C11 | N5 | 179.7° | 176.2° |
| C34 | C35 | N36 | C37 | 11.2° | 13.8° |
| C34 | C35 | N36 | C42 | 174.5° | 166.7° |
| C32 | C31 | N29 | H33 | 120.5° | 120.0° |
| C32 | C31 | N29 | H34 | 120.5° | 119.9° |
| C32 | C31 | N29 | C30 | 175.9° | 174.1° |
| C31 | C32 | C26 | H12 | 63.0° | 62.3° |
| C32 | C31 | H33 | H34 | 118.4° | 120.0° |
| C31 | C32 | H35 | H36 | 119.5° | 120.2° |
| C31 | N29 | C28 | H13 | 66.1° | 58.3° |
| C31 | N29 | C28 | H14 | 174.2° | 178.3° |
| C31 | N29 | C30 | H30 | 54.6° | 175.8° |
| C31 | N29 | C30 | H31 | 65.4° | 55.8° |
| C31 | N29 | C30 | H32 | 174.6° | 64.2° |
| N29 | C31 | H33 | H34 | 118.4° | 120.0° |
| N29 | C31 | C32 | H35 | 66.3° | 60.7° |
| N29 | C31 | C32 | H36 | 174.1° | 179.1° |
| N12 | C11 | C35 | N5 | 179.0° | 178.5° |
| N12 | C11 | C35 | N36 | 177.3° | 176.9° |
| N12 | C11 | N5 | C6 | 11.3° | 86.4° |
| N12 | C11 | N5 | C3 | 163.6° | 146.5° |
| C30 | N29 | C28 | H13 | 57.9° | 65.8° |
| C30 | N29 | C28 | H14 | 61.8° | 54.2° |
| N29 | C30 | H30 | H31 | 120.0° | 120.0° |
| N29 | C30 | H30 | H32 | 120.0° | 120.1° |
| N29 | C30 | H31 | H32 | 120.0° | 120.0° |
| C30 | N29 | C31 | H33 | 63.6° | 65.8° |
| C30 | N29 | C31 | H34 | 55.4° | 54.2° |
| C11 | C35 | N36 | C37 | 164.8° | 167.0° |
| C11 | C35 | N36 | C42 | 9.5° | 12.5° |
| C35 | C11 | N5 | C6 | 169.8° | 92.0° |
| C35 | C11 | N5 | C3 | 15.4° | 35.1° |
| C11 | C35 | C34 | H37 | 178.7° | 178.3° |
| N36 | C35 | C11 | N5 | 3.7° | 4.7° |
| C35 | N36 | C37 | C42 | 174.8° | 179.6° |
| C35 | N36 | C37 | N38 | 177.2° | 178.9° |
| C35 | N36 | C42 | C3 | 3.7° | 1.6° |
| C35 | N36 | C42 | C39 | 177.8° | 178.9° |
| N36 | C35 | C34 | H37 | 2.8° | 2.6° |
| C35 | N36 | C37 | H38 | 2.8° | 1.1° |
| C11 | N5 | C6 | C3 | 174.8° | 129.3° |
| C11 | N5 | C6 | C10 | 89.3° | 58.6° |
| C11 | N5 | C6 | C7 | 151.6° | 56.2° |
| C11 | N5 | C3 | C42 | 25.5° | 44.5° |
| C11 | N5 | C3 | C2 | 96.9° | 164.5° |
| C11 | N5 | C6 | H1 | 30.3° | 178.8° |
| C11 | N5 | C3 | H20 | 143.3° | 75.4° |
| N36 | C37 | N38 | H38 | 180.0° | 180.0° |
| N36 | C37 | N38 | C39 | 1.5° | 0.3° |
| C37 | N36 | C42 | C3 | 179.1° | 178.8° |
| C37 | N36 | C42 | C39 | 2.3° | 0.8° |
| N38 | C37 | N36 | C42 | 2.4° | 0.7° |
| C37 | N38 | C39 | C42 | 0.0° | 0.2° |
| C37 | N38 | C39 | C40 | 179.8° | 179.8° |
| N36 | C42 | C3 | N5 | 20.0° | 29.5° |
| N36 | C42 | C39 | N38 | 1.4° | 0.6° |
| N36 | C42 | C3 | C39 | 178.1° | 179.5° |
| N36 | C42 | C3 | C2 | 105.4° | 149.4° |
| N36 | C42 | C39 | C40 | 178.8° | 179.4° |
| N36 | C42 | C3 | H20 | 138.0° | 90.5° |
| C42 | N36 | C37 | H38 | 177.6° | 179.3° |
| N5 | C6 | C10 | C7 | 125.3° | 118.7° |
| N5 | C6 | C10 | H1 | 120.2° | 122.6° |
| N5 | C6 | C7 | H1 | 121.8° | 122.6° |
| C6 | N5 | C3 | C42 | 159.9° | 82.5° |
| N5 | C6 | C10 | C9 | 149.5° | 142.3° |
| N5 | C6 | C7 | C8 | 164.5° | 156.7° |
| C6 | N5 | C3 | C2 | 77.7° | 37.4° |
| N5 | C6 | C7 | H2 | 77.0° | 85.1° |
| N5 | C6 | C7 | H3 | 45.9° | 38.3° |
| N5 | C6 | C10 | H6 | 30.0° | 23.0° |
| N5 | C6 | C10 | H7 | 91.2° | 98.4° |
| C6 | N5 | C3 | H20 | 42.1° | 157.5° |
| C3 | N5 | C6 | C10 | 85.5° | 172.1° |
| C3 | N5 | C6 | C7 | 33.6° | 73.1° |
| N5 | C3 | C42 | C2 | 125.4° | 119.9° |
| N5 | C3 | C42 | H20 | 117.9° | 119.9° |
| N5 | C3 | C42 | C39 | 161.8° | 151.1° |
| N5 | C3 | C2 | H20 | 120.2° | 120.2° |
| N5 | C3 | C2 | C1 | 62.8° | 62.1° |
| C3 | N5 | C6 | H1 | 154.8° | 49.5° |
| N5 | C3 | C2 | H18 | 57.9° | 57.8° |
| N5 | C3 | C2 | H19 | 176.5° | 177.8° |
| C10 | C6 | C7 | H1 | 114.7° | 118.7° |
| C6 | C10 | C9 | H6 | 119.4° | 119.3° |
| C6 | C10 | C9 | H7 | 119.4° | 119.3° |
| C10 | C6 | C7 | C8 | 40.9° | 37.9° |
| C6 | C10 | C9 | C8 | 2.4° | 0.0° |
| C10 | C6 | C7 | H2 | 159.5° | 156.2° |
| C10 | C6 | C7 | H3 | 77.6° | 80.4° |
| C6 | C10 | H6 | H7 | 121.7° | 121.4° |
| C6 | C10 | C9 | H21 | 117.1° | 119.3° |
| C6 | C10 | C9 | H22 | 121.9° | 119.2° |
| C7 | C6 | C10 | C9 | 24.2° | 23.6° |
| C6 | C7 | C8 | H2 | 118.5° | 118.3° |
| C6 | C7 | C8 | H3 | 118.5° | 118.4° |
| C6 | C7 | C8 | C9 | 42.5° | 38.0° |
| C6 | C7 | H2 | H3 | 124.1° | 123.4° |
| C6 | C7 | C8 | H4 | 76.6° | 80.7° |
| C6 | C7 | C8 | H5 | 161.6° | 156.7° |
| C7 | C6 | C10 | H6 | 95.3° | 95.7° |
| C7 | C6 | C10 | H7 | 143.6° | 142.9° |
| N38 | C39 | C42 | C3 | 179.8° | 179.0° |
| N38 | C39 | C42 | C40 | 179.8° | 180.0° |
| N38 | C39 | C40 | N41 | 2.8° | 77.4° |
| C39 | N38 | C37 | H38 | 178.5° | 179.7° |
| C42 | C3 | C2 | H20 | 117.0° | 120.2° |
| C3 | C42 | C39 | C40 | 0.4° | 1.1° |
| C42 | C3 | C2 | C1 | 60.0° | 178.2° |
| C42 | C3 | C2 | H18 | 179.3° | 61.9° |
| C42 | C3 | C2 | H19 | 60.6° | 58.1° |
| C39 | C42 | C3 | C2 | 72.8° | 31.1° |
| C42 | C39 | C40 | N41 | 177.0° | 102.6° |
| C39 | C42 | C3 | H20 | 43.9° | 89.0° |
| C10 | C9 | C8 | C7 | 28.3° | 23.6° |
| C10 | C9 | C8 | H21 | 119.5° | 119.2° |
| C10 | C9 | C8 | H22 | 119.5° | 119.3° |
| C9 | C10 | C6 | H1 | 90.4° | 95.1° |
| C10 | C9 | C8 | H4 | 90.8° | 95.1° |
| C10 | C9 | C8 | H5 | 147.4° | 142.3° |
| C9 | C10 | H6 | H7 | 121.7° | 121.4° |
| C10 | C9 | H21 | H22 | 121.6° | 121.4° |
| C7 | C8 | C9 | H4 | 119.1° | 118.7° |
| C7 | C8 | C9 | H5 | 119.1° | 118.7° |
| C8 | C7 | C6 | H1 | 73.7° | 80.7° |
| C8 | C7 | H2 | H3 | 124.1° | 123.3° |
| C7 | C8 | H4 | H5 | 122.5° | 122.6° |
| C7 | C8 | C9 | H21 | 91.2° | 142.9° |
| C7 | C8 | C9 | H22 | 147.8° | 95.6° |
| C9 | C8 | C7 | H2 | 161.0° | 156.3° |
| C9 | C8 | C7 | H3 | 76.0° | 80.4° |
| C9 | C8 | H4 | H5 | 122.6° | 122.7° |
| C8 | C9 | C10 | H6 | 121.9° | 119.3° |
| C8 | C9 | C10 | H7 | 117.0° | 119.3° |
| C8 | C9 | H21 | H22 | 121.6° | 121.4° |
| C3 | C2 | C1 | H18 | 120.6° | 119.9° |
| C3 | C2 | C1 | H19 | 120.7° | 120.1° |
| C3 | C2 | C1 | H15 | 180.0° | 59.9° |
| C3 | C2 | C1 | H16 | 60.0° | 60.0° |
| C3 | C2 | C1 | H17 | 60.0° | 180.0° |
| C3 | C2 | H18 | H19 | 118.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 119.9° |
| C2 | C1 | H15 | H17 | 120.0° | 120.0° |
| C2 | C1 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | H18 | H19 | 118.0° | 120.0° |
| C1 | C2 | C3 | H20 | 177.0° | 58.0° |
| H1 | C6 | C7 | H2 | 44.8° | 37.5° |
| H1 | C6 | C7 | H3 | 167.7° | 160.9° |
| H1 | C6 | C10 | H6 | 150.2° | 145.6° |
| H1 | C6 | C10 | H7 | 29.0° | 24.2° |
| H2 | C7 | C8 | H4 | 41.9° | 37.6° |
| H2 | C7 | C8 | H5 | 79.8° | 85.0° |
| H3 | C7 | C8 | H4 | 164.8° | 160.9° |
| H3 | C7 | C8 | H5 | 43.1° | 38.3° |
| H4 | C8 | C9 | H21 | 149.7° | 24.2° |
| H4 | C8 | C9 | H22 | 28.7° | 145.7° |
| H5 | C8 | C9 | H21 | 28.0° | 98.5° |
| H5 | C8 | C9 | H22 | 93.1° | 23.0° |
| H6 | C10 | C9 | H21 | 2.4° | 121.4° |
| H6 | C10 | C9 | H22 | 118.7° | 0.1° |
| H7 | C10 | C9 | H21 | 123.5° | 0.0° |
| H7 | C10 | C9 | H22 | 2.5° | 121.5° |
| H8 | C17 | C16 | H24 | 0.4° | 0.1° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C26 | N25 | H26 | 176.1° | 145.2° |
| H12 | C26 | C27 | H27 | 60.5° | 57.6° |
| H12 | C26 | C27 | H28 | 179.9° | 177.7° |
| H12 | C26 | C32 | H35 | 176.8° | 177.8° |
| H12 | C26 | C32 | H36 | 57.2° | 57.6° |
| H13 | C28 | C27 | H27 | 58.5° | 59.1° |
| H13 | C28 | C27 | H28 | 177.8° | 179.2° |
| H14 | C28 | C27 | H27 | 61.2° | 60.9° |
| H14 | C28 | C27 | H28 | 58.2° | 59.2° |
| H15 | C1 | H16 | H17 | 119.9° | 120.0° |
| H15 | C1 | C2 | H18 | 59.3° | 60.0° |
| H15 | C1 | C2 | H19 | 59.4° | 180.0° |
| H16 | C1 | C2 | H18 | 179.3° | 179.9° |
| H16 | C1 | C2 | H19 | 60.7° | 60.0° |
| H17 | C1 | C2 | H18 | 60.6° | 60.1° |
| H17 | C1 | C2 | H19 | 179.3° | 60.0° |
| H18 | C2 | C3 | H20 | 62.3° | 177.9° |
| H19 | C2 | C3 | H20 | 56.3° | 62.1° |
| H30 | C30 | H31 | H32 | 120.0° | 119.9° |
| H33 | C31 | C32 | H35 | 54.2° | 179.3° |
| H33 | C31 | C32 | H36 | 65.4° | 59.1° |
| H34 | C31 | C32 | H35 | 173.2° | 59.2° |
| H34 | C31 | C32 | H36 | 53.6° | 60.9° |
