3P0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | N38 | sing | 1.47Å | 1.48Å | |
| C37 | N38 | sing | 1.47Å | 1.48Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| N38 | C39 | sing | 1.47Å | 1.48Å | |
| C36 | N35 | sing | 1.47Å | 1.49Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| N35 | C40 | sing | 1.47Å | 1.49Å | |
| N35 | C32 | sing | 1.40Å | 1.42Å | |
| C31 | C32 | doub | 1.39Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | N34 | doub | 1.32Å | 1.33Å | Aromatic |
| C29 | N34 | sing | 1.32Å | 1.34Å | Aromatic |
| C29 | N7 | sing | 1.39Å | 1.40Å | |
| N7 | C1 | sing | 1.40Å | 1.42Å | |
| C1 | C2 | doub | 1.37Å | 1.39Å | |
| C1 | C5 | sing | 1.41Å | 1.44Å | |
| O28 | C5 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.41Å | 1.43Å | |
| C5 | N6 | sing | 1.35Å | 1.37Å | |
| N6 | C4 | sing | 1.36Å | 1.37Å | |
| N6 | C27 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | doub | 1.36Å | 1.38Å | |
| C3 | C8 | sing | 1.48Å | 1.51Å | |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C25 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | O26 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N14 | sing | 1.40Å | 1.40Å | |
| C15 | N14 | sing | 1.46Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N14 | C17 | sing | 1.35Å | 1.38Å | |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C17 | O24 | doub | 1.22Å | 1.23Å | |
| C17 | C18 | sing | 1.48Å | 1.50Å | |
| C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | F47 | sing | 1.35Å | 1.35Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C41 | sing | 1.51Å | 1.51Å | |
| N45 | C42 | trip | 1.14Å | 1.15Å | |
| C42 | C41 | sing | 1.47Å | 1.48Å | |
| C44 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| N7 | H3 | sing | 0.97Å | 1.00Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C43 | H33 | sing | 1.09Å | 1.10Å | |
| C44 | H34 | sing | 1.09Å | 1.10Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | N38 | C37 | 111.2° | 111.0° |
| C46 | N38 | C39 | 111.6° | 111.0° |
| N38 | C46 | H37 | 109.5° | 109.4° |
| N38 | C46 | H38 | 109.5° | 109.5° |
| N38 | C46 | H39 | 109.5° | 109.5° |
| N38 | C37 | C36 | 111.1° | 109.4° |
| C37 | N38 | C39 | 111.2° | 110.9° |
| N38 | C37 | H24 | 109.0° | 109.5° |
| N38 | C37 | H25 | 109.1° | 109.4° |
| C37 | C36 | N35 | 112.3° | 109.3° |
| C37 | C36 | H22 | 108.8° | 109.5° |
| C37 | C36 | H23 | 108.8° | 109.5° |
| C36 | C37 | H24 | 109.1° | 109.5° |
| C36 | C37 | H25 | 109.1° | 109.6° |
| N38 | C39 | C40 | 111.6° | 109.4° |
| N38 | C39 | H27 | 108.9° | 109.5° |
| N38 | C39 | H28 | 109.0° | 109.5° |
| C36 | N35 | C40 | 110.0° | 110.9° |
| C36 | N35 | C32 | 109.1° | 111.0° |
| N35 | C36 | H22 | 108.8° | 109.5° |
| N35 | C36 | H23 | 108.7° | 109.5° |
| C39 | C40 | N35 | 112.9° | 109.3° |
| C40 | C39 | H27 | 108.9° | 109.5° |
| C40 | C39 | H28 | 108.9° | 109.5° |
| C39 | C40 | H29 | 108.6° | 109.4° |
| C39 | C40 | H30 | 108.6° | 109.5° |
| C40 | N35 | C32 | 110.2° | 111.0° |
| N35 | C40 | H29 | 108.6° | 109.5° |
| N35 | C40 | H30 | 108.6° | 109.5° |
| N35 | C32 | C31 | 121.0° | 120.5° |
| N35 | C32 | C33 | 120.9° | 120.4° |
| C32 | C31 | C30 | 118.7° | 118.5° |
| C31 | C32 | C33 | 118.1° | 119.2° |
| C32 | C31 | H20 | 120.6° | 120.7° |
| C31 | C30 | C29 | 119.6° | 119.1° |
| C31 | C30 | H19 | 120.2° | 120.4° |
| C30 | C31 | H20 | 120.6° | 120.8° |
| C32 | C33 | N34 | 121.7° | 120.7° |
| C32 | C33 | H21 | 119.2° | 119.6° |
| C30 | C29 | N34 | 120.4° | 120.8° |
| C30 | C29 | N7 | 117.8° | 119.6° |
| C29 | C30 | H19 | 120.2° | 120.4° |
| C33 | N34 | C29 | 121.5° | 121.7° |
| N34 | C33 | H21 | 119.2° | 119.6° |
| N34 | C29 | N7 | 121.8° | 119.7° |
| C29 | N7 | C1 | 127.7° | 120.0° |
| C29 | N7 | H3 | 116.2° | 120.0° |
| N7 | C1 | C2 | 123.6° | 120.4° |
| N7 | C1 | C5 | 117.7° | 120.3° |
| C1 | N7 | H3 | 116.2° | 120.0° |
| C2 | C1 | C5 | 118.7° | 119.3° |
| C1 | C2 | C3 | 120.2° | 119.1° |
| C1 | C2 | H1 | 119.9° | 120.4° |
| C1 | C5 | O28 | 119.1° | 119.9° |
| C1 | C5 | N6 | 119.7° | 120.2° |
| O28 | C5 | N6 | 121.2° | 119.9° |
| C2 | C3 | C4 | 118.5° | 119.8° |
| C2 | C3 | C8 | 122.2° | 120.1° |
| C3 | C2 | H1 | 119.9° | 120.4° |
| C5 | N6 | C4 | 120.9° | 120.9° |
| C5 | N6 | C27 | 121.3° | 119.5° |
| C4 | N6 | C27 | 117.9° | 119.6° |
| N6 | C4 | C3 | 122.0° | 120.7° |
| N6 | C4 | H2 | 119.0° | 119.7° |
| N6 | C27 | H16 | 109.5° | 109.5° |
| N6 | C27 | H17 | 109.5° | 109.5° |
| N6 | C27 | H18 | 109.5° | 109.4° |
| C4 | C3 | C8 | 119.3° | 120.1° |
| C3 | C4 | H2 | 119.0° | 119.6° |
| C3 | C8 | C9 | 118.8° | 120.1° |
| C3 | C8 | C13 | 123.2° | 120.1° |
| C8 | C9 | C10 | 121.6° | 120.0° |
| C9 | C8 | C13 | 118.0° | 119.8° |
| C8 | C9 | H4 | 119.2° | 120.0° |
| C9 | C10 | C11 | 120.8° | 120.2° |
| C10 | C9 | H4 | 119.2° | 120.0° |
| C9 | C10 | H5 | 119.6° | 119.9° |
| C8 | C13 | C25 | 120.7° | 120.0° |
| C8 | C13 | C12 | 119.6° | 119.8° |
| C10 | C11 | C12 | 119.3° | 120.2° |
| C11 | C10 | H5 | 119.6° | 119.9° |
| C10 | C11 | H6 | 120.4° | 119.9° |
| C25 | C13 | C12 | 119.6° | 120.1° |
| C13 | C25 | O26 | 112.5° | 109.4° |
| C13 | C25 | H13 | 108.7° | 109.5° |
| C13 | C25 | H14 | 108.7° | 109.5° |
| C13 | C12 | C11 | 120.8° | 120.0° |
| C13 | C12 | N14 | 118.9° | 120.0° |
| O26 | C25 | H13 | 108.7° | 109.4° |
| O26 | C25 | H14 | 108.7° | 109.5° |
| C25 | O26 | H15 | 109.5° | 114.0° |
| C11 | C12 | N14 | 120.3° | 120.0° |
| C12 | C11 | H6 | 120.3° | 119.9° |
| C12 | N14 | C15 | 118.0° | 119.5° |
| C12 | N14 | C17 | 118.7° | 119.5° |
| N14 | C15 | C16 | 113.0° | 110.9° |
| C15 | N14 | C17 | 123.2° | 121.0° |
| N14 | C15 | H7 | 108.6° | 109.2° |
| N14 | C15 | H8 | 108.6° | 109.2° |
| C15 | C16 | C19 | 112.3° | 110.1° |
| C16 | C15 | H7 | 108.6° | 109.2° |
| C16 | C15 | H8 | 108.6° | 109.2° |
| C15 | C16 | H9 | 108.8° | 109.4° |
| C15 | C16 | H10 | 108.7° | 109.3° |
| N14 | C17 | O24 | 121.0° | 120.3° |
| N14 | C17 | C18 | 119.0° | 119.3° |
| C16 | C19 | C18 | 122.1° | 119.4° |
| C16 | C19 | C20 | 118.0° | 120.7° |
| C19 | C16 | H9 | 108.7° | 109.3° |
| C19 | C16 | H10 | 108.8° | 109.4° |
| O24 | C17 | C18 | 120.0° | 120.4° |
| C17 | C18 | C19 | 117.6° | 119.1° |
| C17 | C18 | C23 | 123.4° | 121.1° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C19 | C18 | C23 | 118.9° | 119.8° |
| C19 | C20 | C21 | 120.9° | 120.1° |
| C19 | C20 | H11 | 119.6° | 120.0° |
| C18 | C23 | F47 | 122.2° | 120.2° |
| C18 | C23 | C22 | 120.0° | 119.7° |
| C20 | C21 | C22 | 119.6° | 120.4° |
| C20 | C21 | C41 | 118.9° | 119.7° |
| C21 | C20 | H11 | 119.5° | 120.0° |
| F47 | C23 | C22 | 117.8° | 120.1° |
| C23 | C22 | C21 | 120.7° | 120.1° |
| C23 | C22 | H12 | 119.7° | 120.0° |
| C22 | C21 | C41 | 121.5° | 119.8° |
| C21 | C22 | H12 | 119.7° | 119.9° |
| C21 | C41 | C42 | 112.0° | 109.5° |
| C21 | C41 | C44 | 104.6° | 109.5° |
| C21 | C41 | C43 | 111.4° | 109.5° |
| N45 | C42 | C41 | 179.8° | 179.9° |
| C42 | C41 | C44 | 110.4° | 109.4° |
| C42 | C41 | C43 | 110.2° | 109.5° |
| C44 | C41 | C43 | 108.0° | 109.5° |
| C41 | C44 | H34 | 109.5° | 109.5° |
| C41 | C44 | H35 | 109.5° | 109.4° |
| C41 | C44 | H36 | 109.5° | 109.5° |
| C41 | C43 | H31 | 109.5° | 109.5° |
| C41 | C43 | H32 | 109.5° | 109.5° |
| C41 | C43 | H33 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.1° |
| H9 | C16 | H10 | 109.5° | 109.3° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H16 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.4° | 109.5° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H24 | C37 | H25 | 109.4° | 109.5° |
| H27 | C39 | H28 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C43 | H32 | 109.4° | 109.5° |
| H31 | C43 | H33 | 109.5° | 109.4° |
| H32 | C43 | H33 | 109.5° | 109.5° |
| H34 | C44 | H35 | 109.5° | 109.5° |
| H34 | C44 | H36 | 109.4° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.4° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H37 | C46 | H39 | 109.4° | 109.4° |
| H38 | C46 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | N38 | C37 | C39 | 125.0° | 123.9° |
| C46 | N38 | C37 | C36 | 179.5° | 176.7° |
| C46 | N38 | C39 | C40 | 179.2° | 176.8° |
| C46 | N38 | C37 | H24 | 60.2° | 56.8° |
| C46 | N38 | C37 | H25 | 59.3° | 63.2° |
| C46 | N38 | C39 | H27 | 60.5° | 56.8° |
| C46 | N38 | C39 | H28 | 58.9° | 63.3° |
| N38 | C46 | H37 | H38 | 120.0° | 120.0° |
| N38 | C46 | H37 | H39 | 120.0° | 120.0° |
| N38 | C46 | H38 | H39 | 120.0° | 120.1° |
| N38 | C37 | C36 | H24 | 120.2° | 120.0° |
| N38 | C37 | C36 | H25 | 120.3° | 120.0° |
| N38 | C37 | C36 | N35 | 56.2° | 58.4° |
| C37 | N38 | C39 | C40 | 54.4° | 59.3° |
| N38 | C37 | C36 | H22 | 176.6° | 61.5° |
| N38 | C37 | C36 | H23 | 64.2° | 178.3° |
| N38 | C37 | H24 | H25 | 119.2° | 120.0° |
| C37 | N38 | C39 | H27 | 174.7° | 179.3° |
| C37 | N38 | C39 | H28 | 65.9° | 60.7° |
| C37 | N38 | C46 | H37 | 180.0° | 60.0° |
| C37 | N38 | C46 | H38 | 60.0° | 180.0° |
| C37 | N38 | C46 | H39 | 60.0° | 59.9° |
| C36 | C37 | N38 | C39 | 55.4° | 59.3° |
| C37 | C36 | N35 | H22 | 120.4° | 120.0° |
| C37 | C36 | N35 | H23 | 120.4° | 120.0° |
| C37 | C36 | N35 | C40 | 54.3° | 59.4° |
| C37 | C36 | N35 | C32 | 175.3° | 176.8° |
| C37 | C36 | H22 | H23 | 118.7° | 120.1° |
| C36 | C37 | H24 | H25 | 119.3° | 120.1° |
| N38 | C39 | C40 | H27 | 120.3° | 119.9° |
| N38 | C39 | C40 | H28 | 120.3° | 119.9° |
| N38 | C39 | C40 | N35 | 54.1° | 58.4° |
| C39 | N38 | C37 | H24 | 64.8° | 179.3° |
| C39 | N38 | C37 | H25 | 175.7° | 60.7° |
| N38 | C39 | H27 | H28 | 119.1° | 120.0° |
| N38 | C39 | C40 | H29 | 66.4° | 178.3° |
| N38 | C39 | C40 | H30 | 174.6° | 61.6° |
| C39 | N38 | C46 | H37 | 55.2° | 63.8° |
| C39 | N38 | C46 | H38 | 175.2° | 56.2° |
| C39 | N38 | C46 | H39 | 64.8° | 176.2° |
| C36 | N35 | C40 | C39 | 53.3° | 59.4° |
| C36 | N35 | C40 | C32 | 120.4° | 123.9° |
| C36 | N35 | C32 | C31 | 36.4° | 56.2° |
| C36 | N35 | C32 | C33 | 142.7° | 123.8° |
| N35 | C36 | H22 | H23 | 118.7° | 120.0° |
| N35 | C36 | C37 | H24 | 64.1° | 178.4° |
| N35 | C36 | C37 | H25 | 176.4° | 61.6° |
| C36 | N35 | C40 | H29 | 67.2° | 179.3° |
| C36 | N35 | C40 | H30 | 173.8° | 60.6° |
| C39 | C40 | N35 | H29 | 120.5° | 119.9° |
| C39 | C40 | N35 | H30 | 120.5° | 120.0° |
| C39 | C40 | N35 | C32 | 173.7° | 176.8° |
| C40 | C39 | H27 | H28 | 119.0° | 120.1° |
| C39 | C40 | H29 | H30 | 118.4° | 120.1° |
| C40 | N35 | C32 | C31 | 157.3° | 180.0° |
| C40 | N35 | C32 | C33 | 21.8° | 0.0° |
| C40 | N35 | C36 | H22 | 174.7° | 60.6° |
| C40 | N35 | C36 | H23 | 66.1° | 179.3° |
| N35 | C40 | C39 | H27 | 174.4° | 178.3° |
| N35 | C40 | C39 | H28 | 66.3° | 61.5° |
| N35 | C40 | H29 | H30 | 118.5° | 120.1° |
| N35 | C32 | C31 | C33 | 179.1° | 180.0° |
| N35 | C32 | C31 | C30 | 179.4° | 180.0° |
| N35 | C32 | C33 | N34 | 179.7° | 179.9° |
| N35 | C32 | C31 | H20 | 0.6° | 0.0° |
| N35 | C32 | C33 | H21 | 0.3° | 0.0° |
| C32 | N35 | C36 | H22 | 64.3° | 63.3° |
| C32 | N35 | C36 | H23 | 54.9° | 56.8° |
| C32 | N35 | C40 | H29 | 53.2° | 56.9° |
| C32 | N35 | C40 | H30 | 65.8° | 63.3° |
| C32 | C31 | C30 | H20 | 180.0° | 179.9° |
| C32 | C31 | C30 | C29 | 0.4° | 0.0° |
| C31 | C32 | C33 | N34 | 0.6° | 0.1° |
| C32 | C31 | C30 | H19 | 179.6° | 180.0° |
| C31 | C32 | C33 | H21 | 179.4° | 180.0° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C31 | C30 | C29 | N34 | 0.8° | 0.0° |
| C31 | C30 | C29 | N7 | 179.6° | 179.7° |
| C32 | C33 | N34 | H21 | 180.0° | 179.9° |
| C32 | C33 | N34 | C29 | 1.0° | 0.1° |
| C33 | C32 | C31 | H20 | 179.7° | 180.0° |
| C30 | C29 | N34 | C33 | 1.1° | 0.1° |
| C30 | C29 | N34 | N7 | 179.6° | 179.8° |
| C30 | C29 | N7 | C1 | 170.3° | 6.3° |
| C30 | C29 | N7 | H3 | 9.8° | 173.7° |
| C29 | C30 | C31 | H20 | 179.6° | 180.0° |
| C33 | N34 | C29 | N7 | 179.3° | 179.7° |
| N34 | C29 | N7 | C1 | 10.2° | 173.5° |
| N34 | C29 | N7 | H3 | 169.8° | 6.5° |
| N34 | C29 | C30 | H19 | 179.2° | 180.0° |
| C29 | N34 | C33 | H21 | 179.0° | 180.0° |
| C29 | N7 | C1 | H3 | 180.0° | 180.0° |
| C29 | N7 | C1 | C2 | 10.6° | 119.9° |
| C29 | N7 | C1 | C5 | 170.3° | 60.4° |
| N7 | C29 | C30 | H19 | 0.4° | 0.3° |
| N7 | C1 | C2 | C5 | 179.1° | 179.7° |
| N7 | C1 | C5 | O28 | 0.2° | 0.3° |
| N7 | C1 | C2 | C3 | 179.5° | 179.7° |
| N7 | C1 | C5 | N6 | 179.7° | 179.7° |
| N7 | C1 | C2 | H1 | 0.5° | 0.3° |
| C2 | C1 | C5 | O28 | 179.0° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C5 | N6 | 1.2° | 0.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | C8 | 179.9° | 180.0° |
| C2 | C1 | N7 | H3 | 169.4° | 60.1° |
| C1 | C5 | O28 | N6 | 179.9° | 179.9° |
| C5 | C1 | C2 | C3 | 0.5° | 0.0° |
| C1 | C5 | N6 | C4 | 0.5° | 0.0° |
| C1 | C5 | N6 | C27 | 179.9° | 180.0° |
| C5 | C1 | C2 | H1 | 179.5° | 180.0° |
| C5 | C1 | N7 | H3 | 9.7° | 119.7° |
| O28 | C5 | N6 | C4 | 179.7° | 180.0° |
| O28 | C5 | N6 | C27 | 0.2° | 0.1° |
| C2 | C3 | C4 | N6 | 1.7° | 0.0° |
| C2 | C3 | C4 | C8 | 179.0° | 180.0° |
| C2 | C3 | C8 | C9 | 48.9° | 104.7° |
| C2 | C3 | C8 | C13 | 132.3° | 75.0° |
| C2 | C3 | C4 | H2 | 178.3° | 180.0° |
| C5 | N6 | C4 | C27 | 179.5° | 179.9° |
| C5 | N6 | C4 | C3 | 1.0° | 0.0° |
| C5 | N6 | C4 | H2 | 179.0° | 180.0° |
| C5 | N6 | C27 | H16 | 180.0° | 0.1° |
| C5 | N6 | C27 | H17 | 60.0° | 120.0° |
| C5 | N6 | C27 | H18 | 60.0° | 120.0° |
| N6 | C4 | C3 | H2 | 180.0° | 180.0° |
| N6 | C4 | C3 | C8 | 179.3° | 180.0° |
| C4 | N6 | C27 | H16 | 0.5° | 180.0° |
| C4 | N6 | C27 | H17 | 119.5° | 60.0° |
| C4 | N6 | C27 | H18 | 120.5° | 60.0° |
| C27 | N6 | C4 | C3 | 178.5° | 180.0° |
| C27 | N6 | C4 | H2 | 1.5° | 0.0° |
| N6 | C27 | H16 | H17 | 120.0° | 120.0° |
| N6 | C27 | H16 | H18 | 120.0° | 120.0° |
| N6 | C27 | H17 | H18 | 120.0° | 120.0° |
| C4 | C3 | C8 | C9 | 130.1° | 75.3° |
| C4 | C3 | C8 | C13 | 48.7° | 105.0° |
| C4 | C3 | C2 | H1 | 179.1° | 180.0° |
| C3 | C8 | C9 | C13 | 178.9° | 179.8° |
| C3 | C8 | C9 | C10 | 179.2° | 180.0° |
| C3 | C8 | C13 | C25 | 1.3° | 0.1° |
| C3 | C8 | C13 | C12 | 179.6° | 179.8° |
| C8 | C3 | C2 | H1 | 0.1° | 0.0° |
| C8 | C3 | C4 | H2 | 0.7° | 0.0° |
| C3 | C8 | C9 | H4 | 0.8° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C9 | C8 | C13 | C25 | 179.8° | 179.7° |
| C9 | C8 | C13 | C12 | 0.7° | 0.5° |
| C8 | C9 | C10 | H5 | 179.6° | 180.0° |
| C10 | C9 | C8 | C13 | 0.2° | 0.3° |
| C9 | C10 | C11 | H5 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C9 | C10 | C11 | H6 | 179.6° | 180.0° |
| C8 | C13 | C25 | C12 | 179.1° | 179.9° |
| C8 | C13 | C25 | O26 | 108.0° | 90.1° |
| C8 | C13 | C12 | C11 | 0.7° | 0.5° |
| C8 | C13 | C12 | N14 | 179.0° | 179.8° |
| C13 | C8 | C9 | H4 | 179.8° | 179.8° |
| C8 | C13 | C25 | H13 | 131.5° | 150.0° |
| C8 | C13 | C25 | H14 | 12.4° | 29.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | N14 | 178.4° | 180.0° |
| C11 | C10 | C9 | H4 | 179.6° | 180.0° |
| C13 | C25 | O26 | H13 | 120.4° | 119.9° |
| C13 | C25 | O26 | H14 | 120.4° | 120.0° |
| C25 | C13 | C12 | C11 | 179.8° | 179.7° |
| C25 | C13 | C12 | N14 | 1.8° | 0.1° |
| C13 | C25 | H13 | H14 | 118.6° | 120.1° |
| C13 | C25 | O26 | H15 | 180.0° | 180.0° |
| C12 | C13 | C25 | O26 | 72.9° | 89.8° |
| C13 | C12 | C11 | N14 | 178.3° | 179.8° |
| C13 | C12 | N14 | C15 | 85.4° | 90.5° |
| C13 | C12 | N14 | C17 | 93.1° | 89.8° |
| C13 | C12 | C11 | H6 | 179.9° | 179.8° |
| C12 | C13 | C25 | H13 | 47.6° | 30.2° |
| C12 | C13 | C25 | H14 | 166.7° | 150.2° |
| O26 | C25 | H13 | H14 | 118.6° | 120.0° |
| C11 | C12 | N14 | C15 | 96.3° | 89.7° |
| C11 | C12 | N14 | C17 | 85.2° | 90.0° |
| C12 | C11 | C10 | H5 | 179.6° | 180.0° |
| C12 | N14 | C15 | C17 | 178.4° | 179.7° |
| C12 | N14 | C15 | C16 | 149.0° | 139.7° |
| C12 | N14 | C17 | O24 | 2.4° | 7.4° |
| C12 | N14 | C17 | C18 | 177.6° | 172.6° |
| N14 | C12 | C11 | H6 | 1.6° | 0.0° |
| C12 | N14 | C15 | H7 | 90.5° | 100.0° |
| C12 | N14 | C15 | H8 | 28.5° | 19.3° |
| N14 | C15 | C16 | H7 | 120.5° | 120.4° |
| N14 | C15 | C16 | H8 | 120.5° | 120.4° |
| N14 | C15 | C16 | C19 | 40.0° | 50.7° |
| C15 | N14 | C17 | O24 | 179.2° | 173.0° |
| C15 | N14 | C17 | C18 | 0.8° | 7.1° |
| N14 | C15 | H7 | H8 | 118.4° | 119.3° |
| N14 | C15 | C16 | H9 | 160.4° | 170.8° |
| N14 | C15 | C16 | H10 | 80.4° | 69.6° |
| C16 | C15 | N14 | C17 | 29.4° | 40.0° |
| C15 | C16 | C19 | H9 | 120.4° | 120.2° |
| C15 | C16 | C19 | H10 | 120.4° | 120.2° |
| C15 | C16 | C19 | C18 | 26.5° | 33.1° |
| C15 | C16 | C19 | C20 | 153.1° | 147.2° |
| C16 | C15 | H7 | H8 | 118.4° | 119.3° |
| C15 | C16 | H9 | H10 | 118.7° | 119.7° |
| N14 | C17 | O24 | C18 | 180.0° | 179.9° |
| N14 | C17 | C18 | C19 | 15.6° | 14.0° |
| N14 | C17 | C18 | C23 | 167.7° | 167.2° |
| C17 | N14 | C15 | H7 | 91.1° | 80.4° |
| C17 | N14 | C15 | H8 | 149.9° | 160.4° |
| C16 | C19 | C18 | C17 | 1.5° | 1.0° |
| C16 | C19 | C18 | C20 | 179.6° | 179.7° |
| C16 | C19 | C18 | C23 | 178.3° | 177.8° |
| C16 | C19 | C20 | C21 | 179.2° | 179.0° |
| C19 | C16 | C15 | H7 | 80.4° | 69.7° |
| C19 | C16 | C15 | H8 | 160.6° | 171.0° |
| C19 | C16 | H9 | H10 | 118.7° | 119.7° |
| C16 | C19 | C20 | H11 | 0.8° | 1.0° |
| O24 | C17 | C18 | C19 | 164.4° | 165.9° |
| O24 | C17 | C18 | C23 | 12.3° | 12.9° |
| C17 | C18 | C19 | C23 | 176.9° | 178.8° |
| C17 | C18 | C19 | C20 | 178.9° | 179.2° |
| C17 | C18 | C23 | F47 | 2.0° | 0.5° |
| C17 | C18 | C23 | C22 | 178.6° | 179.1° |
| C18 | C19 | C20 | C21 | 1.2° | 0.7° |
| C19 | C18 | C23 | F47 | 178.7° | 178.3° |
| C19 | C18 | C23 | C22 | 2.0° | 2.1° |
| C18 | C19 | C16 | H9 | 146.9° | 153.2° |
| C18 | C19 | C16 | H10 | 93.9° | 87.1° |
| C18 | C19 | C20 | H11 | 178.8° | 179.3° |
| C20 | C19 | C18 | C23 | 2.1° | 1.9° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | C41 | 178.1° | 179.7° |
| C20 | C19 | C16 | H9 | 32.7° | 27.0° |
| C20 | C19 | C16 | H10 | 86.5° | 92.6° |
| C18 | C23 | F47 | C22 | 179.4° | 179.6° |
| C18 | C23 | C22 | C21 | 1.0° | 1.1° |
| C18 | C23 | C22 | H12 | 179.0° | 179.3° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C20 | C21 | C22 | C41 | 177.9° | 180.0° |
| C20 | C21 | C41 | C42 | 54.0° | 60.0° |
| C20 | C21 | C41 | C44 | 65.6° | 60.0° |
| C20 | C21 | C41 | C43 | 177.9° | 180.0° |
| C20 | C21 | C22 | H12 | 179.9° | 179.5° |
| F47 | C23 | C22 | C21 | 179.6° | 179.3° |
| F47 | C23 | C22 | H12 | 0.4° | 0.3° |
| C23 | C22 | C21 | H12 | 180.0° | 179.7° |
| C23 | C22 | C21 | C41 | 178.0° | 179.9° |
| C22 | C21 | C41 | C42 | 128.1° | 120.0° |
| C22 | C21 | C41 | C44 | 112.2° | 120.0° |
| C22 | C21 | C41 | C43 | 4.2° | 0.0° |
| C22 | C21 | C20 | H11 | 179.8° | 179.7° |
| C21 | C41 | C42 | N45 | 144.6° | 48.3° |
| C21 | C41 | C42 | C44 | 116.2° | 120.0° |
| C21 | C41 | C42 | C43 | 124.6° | 120.0° |
| C21 | C41 | C44 | C43 | 118.7° | 120.0° |
| C41 | C21 | C20 | H11 | 1.9° | 0.3° |
| C41 | C21 | C22 | H12 | 2.0° | 0.4° |
| C21 | C41 | C43 | H31 | 180.0° | 60.0° |
| C21 | C41 | C43 | H32 | 60.0° | 180.0° |
| C21 | C41 | C43 | H33 | 60.0° | 60.0° |
| C21 | C41 | C44 | H34 | 180.0° | 60.0° |
| C21 | C41 | C44 | H35 | 60.0° | 180.0° |
| C21 | C41 | C44 | H36 | 60.0° | 60.0° |
| N45 | C42 | C41 | C44 | 99.1° | 168.3° |
| N45 | C42 | C41 | C43 | 20.0° | 71.7° |
| C42 | C41 | C44 | C43 | 120.5° | 120.0° |
| C42 | C41 | C43 | H31 | 55.0° | 180.0° |
| C42 | C41 | C43 | H32 | 64.9° | 60.0° |
| C42 | C41 | C43 | H33 | 175.0° | 60.0° |
| C42 | C41 | C44 | H34 | 59.2° | 60.0° |
| C42 | C41 | C44 | H35 | 179.2° | 60.0° |
| C42 | C41 | C44 | H36 | 60.7° | 180.0° |
| C44 | C41 | C43 | H31 | 65.7° | 60.0° |
| C44 | C41 | C43 | H32 | 174.4° | 60.0° |
| C44 | C41 | C43 | H33 | 54.4° | 180.0° |
| C41 | C44 | H34 | H35 | 120.0° | 120.0° |
| C41 | C44 | H34 | H36 | 120.0° | 120.0° |
| C41 | C44 | H35 | H36 | 120.0° | 120.0° |
| C41 | C43 | H31 | H32 | 120.0° | 120.1° |
| C41 | C43 | H31 | H33 | 120.0° | 120.0° |
| C41 | C43 | H32 | H33 | 120.0° | 120.0° |
| C43 | C41 | C44 | H34 | 61.3° | 180.0° |
| C43 | C41 | C44 | H35 | 58.7° | 60.0° |
| C43 | C41 | C44 | H36 | 178.8° | 60.0° |
| H4 | C9 | C10 | H5 | 0.4° | 0.1° |
| H5 | C10 | C11 | H6 | 0.4° | 0.1° |
| H7 | C15 | C16 | H9 | 39.9° | 50.5° |
| H7 | C15 | C16 | H10 | 159.1° | 170.1° |
| H8 | C15 | C16 | H9 | 79.0° | 68.8° |
| H8 | C15 | C16 | H10 | 40.1° | 50.8° |
| H13 | C25 | O26 | H15 | 59.5° | 60.1° |
| H14 | C25 | O26 | H15 | 59.6° | 60.0° |
| H16 | C27 | H17 | H18 | 120.0° | 120.0° |
| H19 | C30 | C31 | H20 | 0.4° | 0.0° |
| H22 | C36 | C37 | H24 | 56.4° | 58.4° |
| H22 | C36 | C37 | H25 | 63.1° | 178.5° |
| H23 | C36 | C37 | H24 | 175.5° | 61.7° |
| H23 | C36 | C37 | H25 | 56.0° | 58.4° |
| H27 | C39 | C40 | H29 | 53.9° | 61.7° |
| H27 | C39 | C40 | H30 | 65.1° | 58.4° |
| H28 | C39 | C40 | H29 | 173.3° | 58.4° |
| H28 | C39 | C40 | H30 | 54.3° | 178.5° |
| H31 | C43 | H32 | H33 | 120.0° | 120.0° |
| H34 | C44 | H35 | H36 | 120.0° | 120.0° |
| H37 | C46 | H38 | H39 | 119.9° | 120.0° |
