7EJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| N7 | C6 | sing | 1.46Å | 1.47Å | |
| N7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C18 | sing | 1.47Å | 1.48Å | |
| O19 | C18 | doub | 1.22Å | 1.22Å | |
| C18 | N20 | sing | 1.35Å | 1.37Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N20 | C25 | sing | 1.47Å | 1.49Å | |
| N20 | C21 | sing | 1.47Å | 1.49Å | |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C32 | C25 | sing | 1.53Å | 1.55Å | |
| C32 | C30 | sing | 1.53Å | 1.55Å | |
| C25 | C27 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C36 | N35 | sing | 1.47Å | 1.48Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C30 | C33 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| N35 | C33 | sing | 1.35Å | 1.37Å | |
| N35 | C40 | sing | 1.47Å | 1.49Å | |
| C33 | O34 | doub | 1.21Å | 1.21Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.54Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C27 | N28 | sing | 1.47Å | 1.48Å | |
| C37 | O38 | sing | 1.43Å | 1.44Å | |
| O38 | C39 | sing | 1.43Å | 1.44Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| N28 | H31 | sing | 1.01Å | 1.00Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å | |
| C40 | H44 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 119.5° | 120.2° |
| C16 | C15 | C14 | 120.9° | 120.3° |
| C16 | C15 | H9 | 119.6° | 119.8° |
| C15 | C16 | H24 | 120.3° | 119.9° |
| C16 | C17 | C12 | 120.0° | 119.8° |
| C16 | C17 | H10 | 120.0° | 120.1° |
| C17 | C16 | H24 | 120.2° | 119.9° |
| C15 | C14 | C13 | 120.4° | 120.2° |
| C14 | C15 | H9 | 119.6° | 119.9° |
| C15 | C14 | H23 | 119.8° | 119.9° |
| C17 | C12 | C13 | 120.1° | 119.8° |
| C17 | C12 | C11 | 119.6° | 120.1° |
| C12 | C17 | H10 | 120.0° | 120.1° |
| C14 | C13 | C12 | 119.2° | 119.8° |
| C14 | C13 | H8 | 120.4° | 120.0° |
| C13 | C14 | H23 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C12 | C13 | H8 | 120.4° | 120.1° |
| C12 | C11 | C10 | 121.9° | 125.8° |
| C12 | C11 | N7 | 129.3° | 125.9° |
| C11 | C10 | C9 | 107.7° | 107.7° |
| C10 | C11 | N7 | 108.8° | 108.3° |
| C11 | C10 | H7 | 126.2° | 126.2° |
| C10 | C9 | C8 | 108.3° | 107.4° |
| C9 | C10 | H7 | 126.1° | 126.1° |
| C10 | C9 | H22 | 125.8° | 126.4° |
| C11 | N7 | C6 | 126.6° | 125.7° |
| C11 | N7 | C8 | 107.4° | 108.6° |
| C9 | C8 | N7 | 107.7° | 108.0° |
| C9 | C8 | C18 | 123.5° | 126.0° |
| C8 | C9 | H22 | 125.9° | 126.3° |
| C6 | N7 | C8 | 125.9° | 125.7° |
| N7 | C6 | C5 | 108.6° | 109.5° |
| N7 | C6 | H5 | 109.7° | 109.4° |
| N7 | C6 | H6 | 109.7° | 109.5° |
| N7 | C8 | C18 | 128.6° | 126.0° |
| C6 | C5 | C4 | 110.9° | 109.5° |
| C6 | C5 | H3 | 109.1° | 109.5° |
| C6 | C5 | H4 | 109.1° | 109.5° |
| C5 | C6 | H5 | 109.7° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C8 | C18 | O19 | 114.8° | 120.0° |
| C8 | C18 | N20 | 126.2° | 120.0° |
| O19 | C18 | N20 | 118.9° | 120.0° |
| C18 | N20 | C25 | 116.2° | 120.0° |
| C18 | N20 | C21 | 122.1° | 120.0° |
| C5 | C4 | C3 | 109.1° | 109.5° |
| C5 | C4 | H1 | 109.6° | 109.5° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C4 | C5 | H3 | 109.1° | 109.4° |
| C4 | C5 | H4 | 109.1° | 109.4° |
| C4 | C3 | O2 | 110.3° | 109.5° |
| C3 | C4 | H1 | 109.6° | 109.5° |
| C3 | C4 | H2 | 109.6° | 109.5° |
| C4 | C3 | H20 | 109.3° | 109.4° |
| C4 | C3 | H21 | 109.3° | 109.5° |
| C25 | N20 | C21 | 121.7° | 120.0° |
| N20 | C25 | C32 | 110.7° | 109.5° |
| N20 | C25 | C27 | 113.8° | 109.5° |
| N20 | C25 | H28 | 106.6° | 109.5° |
| N20 | C21 | C22 | 120.4° | 109.5° |
| N20 | C21 | H11 | 106.7° | 109.4° |
| N20 | C21 | H12 | 106.7° | 109.4° |
| C3 | O2 | C1 | 113.4° | 114.0° |
| O2 | C3 | H20 | 109.3° | 109.5° |
| O2 | C3 | H21 | 109.3° | 109.4° |
| O2 | C1 | H17 | 109.5° | 109.5° |
| O2 | C1 | H18 | 109.5° | 109.5° |
| O2 | C1 | H19 | 109.4° | 109.5° |
| C25 | C32 | C30 | 114.6° | 109.2° |
| C32 | C25 | C27 | 113.1° | 109.2° |
| C32 | C25 | H28 | 105.9° | 109.5° |
| C25 | C32 | H36 | 108.2° | 109.5° |
| C25 | C32 | H37 | 108.1° | 109.6° |
| C32 | C30 | C33 | 111.5° | 109.5° |
| C32 | C30 | C29 | 110.1° | 109.3° |
| C32 | C30 | H35 | 108.3° | 109.5° |
| C30 | C32 | H36 | 108.2° | 109.5° |
| C30 | C32 | H37 | 108.2° | 109.5° |
| C25 | C27 | N28 | 113.0° | 109.5° |
| C27 | C25 | H28 | 106.0° | 109.6° |
| C25 | C27 | H29 | 108.6° | 109.5° |
| C25 | C27 | H30 | 108.6° | 109.4° |
| C21 | C22 | C23 | 109.2° | 109.5° |
| C21 | C22 | C24 | 117.4° | 109.5° |
| C22 | C21 | H11 | 106.7° | 109.5° |
| C22 | C21 | H12 | 106.7° | 109.5° |
| C21 | C22 | H13 | 106.7° | 109.5° |
| N35 | C36 | C37 | 106.8° | 108.4° |
| C36 | N35 | C33 | 123.6° | 121.0° |
| C36 | N35 | C40 | 116.3° | 118.0° |
| N35 | C36 | H38 | 110.2° | 109.7° |
| N35 | C36 | H39 | 110.1° | 109.7° |
| C36 | C37 | O38 | 109.6° | 109.2° |
| C37 | C36 | H38 | 110.1° | 109.6° |
| C37 | C36 | H39 | 110.1° | 109.7° |
| C36 | C37 | H40 | 109.4° | 109.5° |
| C36 | C37 | H41 | 109.4° | 109.5° |
| C33 | C30 | C29 | 109.8° | 109.5° |
| C30 | C33 | N35 | 123.8° | 120.0° |
| C30 | C33 | O34 | 118.1° | 120.0° |
| C33 | C30 | H35 | 108.6° | 109.5° |
| C30 | C29 | N28 | 107.9° | 109.5° |
| C30 | C29 | H33 | 109.9° | 109.4° |
| C30 | C29 | H34 | 109.8° | 109.5° |
| C29 | C30 | H35 | 108.4° | 109.5° |
| C33 | N35 | C40 | 120.0° | 121.0° |
| N35 | C33 | O34 | 118.2° | 120.0° |
| N35 | C40 | C39 | 108.4° | 108.2° |
| N35 | C40 | H44 | 109.7° | 109.7° |
| N35 | C40 | H45 | 109.7° | 109.7° |
| C23 | C22 | C24 | 109.3° | 109.5° |
| C23 | C22 | H13 | 106.8° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C40 | C39 | O38 | 108.9° | 109.1° |
| C40 | C39 | H42 | 109.6° | 109.7° |
| C40 | C39 | H43 | 109.6° | 109.5° |
| C39 | C40 | H44 | 109.7° | 109.9° |
| C39 | C40 | H45 | 109.7° | 109.8° |
| C24 | C22 | H13 | 106.8° | 109.5° |
| C22 | C24 | H14 | 109.5° | 109.5° |
| C22 | C24 | H15 | 109.5° | 109.5° |
| C22 | C24 | H16 | 109.4° | 109.5° |
| C27 | N28 | C29 | 113.4° | 111.2° |
| N28 | C27 | H29 | 108.6° | 109.5° |
| N28 | C27 | H30 | 108.6° | 109.4° |
| C27 | N28 | H31 | 108.5° | 111.0° |
| C37 | O38 | C39 | 116.4° | 114.2° |
| O38 | C37 | H40 | 109.5° | 109.6° |
| O38 | C37 | H41 | 109.4° | 109.5° |
| O38 | C39 | H42 | 109.6° | 109.5° |
| O38 | C39 | H43 | 109.6° | 109.5° |
| C29 | N28 | H31 | 108.5° | 111.0° |
| N28 | C29 | H33 | 109.9° | 109.5° |
| N28 | C29 | H34 | 109.9° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.4° |
| H14 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.4° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H19 | 109.5° | 109.4° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.5° | 109.5° |
| H38 | C36 | H39 | 109.5° | 109.7° |
| H40 | C37 | H41 | 109.5° | 109.5° |
| H42 | C39 | H43 | 109.5° | 109.5° |
| H44 | C40 | H45 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H24 | 180.0° | 179.8° |
| C16 | C15 | C14 | H9 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 1.3° | 0.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | H10 | 178.8° | 179.8° |
| C16 | C15 | C14 | H23 | 179.9° | 179.9° |
| C17 | C16 | C15 | C14 | 0.5° | 0.2° |
| C16 | C17 | C12 | H10 | 180.0° | 180.0° |
| C16 | C17 | C12 | C13 | 1.8° | 0.0° |
| C16 | C17 | C12 | C11 | 178.9° | 180.0° |
| C17 | C16 | C15 | H9 | 179.6° | 179.7° |
| C15 | C14 | C13 | H23 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.3° |
| C15 | C14 | C13 | H8 | 179.4° | 180.0° |
| C14 | C15 | C16 | H24 | 179.6° | 180.0° |
| C17 | C12 | C13 | C14 | 1.5° | 0.3° |
| C17 | C12 | C13 | C11 | 177.1° | 179.9° |
| C17 | C12 | C11 | C10 | 130.4° | 19.7° |
| C17 | C12 | C11 | N7 | 47.9° | 160.2° |
| C17 | C12 | C13 | H8 | 178.5° | 180.0° |
| C12 | C17 | C16 | H24 | 178.7° | 180.0° |
| C14 | C13 | C12 | H8 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 178.6° | 179.8° |
| C13 | C14 | C15 | H9 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 46.8° | 160.2° |
| C13 | C12 | C11 | N7 | 135.0° | 19.8° |
| C13 | C12 | C17 | H10 | 178.2° | 180.0° |
| C12 | C13 | C14 | H23 | 179.4° | 179.7° |
| C12 | C11 | C10 | N7 | 178.5° | 180.0° |
| C12 | C11 | C10 | C9 | 179.0° | 180.0° |
| C12 | C11 | N7 | C6 | 2.2° | 0.2° |
| C12 | C11 | N7 | C8 | 179.8° | 179.8° |
| C12 | C11 | C10 | H7 | 1.1° | 0.0° |
| C11 | C12 | C13 | H8 | 1.4° | 0.0° |
| C11 | C12 | C17 | H10 | 1.1° | 0.0° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.7° | 0.2° |
| C10 | C11 | N7 | C6 | 179.4° | 179.8° |
| C10 | C11 | N7 | C8 | 1.4° | 0.1° |
| C11 | C10 | C9 | H22 | 179.3° | 180.0° |
| C9 | C10 | C11 | N7 | 0.4° | 0.0° |
| C10 | C9 | C8 | H22 | 180.0° | 179.8° |
| C10 | C9 | C8 | N7 | 1.6° | 0.3° |
| C10 | C9 | C8 | C18 | 177.9° | 179.9° |
| C11 | N7 | C8 | C9 | 1.8° | 0.3° |
| C11 | N7 | C6 | C8 | 177.6° | 179.9° |
| C11 | N7 | C6 | C5 | 77.2° | 91.4° |
| C11 | N7 | C8 | C18 | 177.9° | 179.9° |
| C11 | N7 | C6 | H5 | 42.7° | 148.7° |
| C11 | N7 | C6 | H6 | 163.0° | 28.7° |
| N7 | C11 | C10 | H7 | 179.6° | 180.0° |
| C9 | C8 | N7 | C6 | 179.8° | 179.7° |
| C9 | C8 | N7 | C18 | 176.1° | 179.7° |
| C9 | C8 | C18 | O19 | 125.4° | 167.5° |
| C9 | C8 | C18 | N20 | 52.6° | 12.6° |
| C8 | C9 | C10 | H7 | 179.3° | 179.8° |
| N7 | C6 | C5 | H5 | 119.9° | 119.9° |
| N7 | C6 | C5 | H6 | 119.9° | 120.1° |
| C6 | N7 | C8 | C18 | 4.1° | 0.0° |
| N7 | C6 | C5 | C4 | 156.8° | 176.6° |
| N7 | C6 | C5 | H3 | 82.9° | 63.4° |
| N7 | C6 | C5 | H4 | 36.6° | 56.6° |
| N7 | C6 | H5 | H6 | 120.4° | 120.0° |
| C8 | N7 | C6 | C5 | 100.4° | 88.6° |
| N7 | C8 | C18 | O19 | 50.1° | 12.1° |
| N7 | C8 | C18 | N20 | 131.9° | 167.8° |
| C8 | N7 | C6 | H5 | 139.7° | 31.4° |
| C8 | N7 | C6 | H6 | 19.4° | 151.4° |
| N7 | C8 | C9 | H22 | 178.4° | 179.9° |
| C6 | C5 | C4 | H3 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 120.2° | 120.0° |
| C6 | C5 | C4 | C3 | 113.0° | 175.1° |
| C6 | C5 | C4 | H1 | 127.0° | 64.9° |
| C6 | C5 | C4 | H2 | 6.9° | 55.0° |
| C6 | C5 | H3 | H4 | 119.3° | 120.0° |
| C5 | C6 | H5 | H6 | 120.4° | 120.0° |
| C8 | C18 | O19 | N20 | 178.1° | 179.9° |
| C8 | C18 | N20 | C25 | 177.2° | 179.0° |
| C8 | C18 | N20 | C21 | 0.3° | 1.1° |
| C18 | C8 | C9 | H22 | 2.1° | 0.3° |
| O19 | C18 | N20 | C25 | 0.6° | 0.9° |
| O19 | C18 | N20 | C21 | 178.1° | 179.0° |
| C18 | N20 | C25 | C21 | 177.5° | 179.9° |
| C18 | N20 | C25 | C32 | 117.9° | 54.0° |
| C18 | N20 | C25 | C27 | 113.4° | 65.8° |
| C18 | N20 | C21 | C22 | 88.2° | 84.2° |
| C18 | N20 | C21 | H11 | 150.3° | 35.8° |
| C18 | N20 | C21 | H12 | 33.4° | 155.8° |
| C18 | N20 | C25 | H28 | 3.1° | 174.1° |
| C5 | C4 | C3 | H1 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 119.9° | 120.1° |
| C5 | C4 | C3 | O2 | 174.8° | 180.0° |
| C5 | C4 | H1 | H2 | 120.1° | 120.0° |
| C4 | C5 | H3 | H4 | 119.4° | 120.0° |
| C4 | C5 | C6 | H5 | 37.0° | 56.6° |
| C4 | C5 | C6 | H6 | 83.3° | 63.4° |
| C5 | C4 | C3 | H20 | 54.7° | 60.0° |
| C5 | C4 | C3 | H21 | 65.0° | 60.0° |
| C4 | C3 | O2 | H20 | 120.1° | 120.0° |
| C4 | C3 | O2 | H21 | 120.1° | 120.0° |
| C4 | C3 | O2 | C1 | 139.2° | 180.0° |
| C3 | C4 | H1 | H2 | 120.2° | 120.0° |
| C3 | C4 | C5 | H3 | 7.2° | 64.9° |
| C3 | C4 | C5 | H4 | 126.8° | 55.1° |
| C4 | C3 | H20 | H21 | 119.6° | 120.0° |
| N20 | C25 | C32 | C27 | 129.1° | 119.9° |
| N20 | C25 | C32 | H28 | 115.2° | 120.1° |
| N20 | C25 | C32 | C30 | 167.8° | 177.6° |
| N20 | C25 | C27 | H28 | 116.8° | 120.1° |
| C25 | N20 | C21 | C22 | 94.5° | 95.7° |
| N20 | C25 | C27 | N28 | 168.2° | 179.1° |
| C25 | N20 | C21 | H11 | 27.0° | 144.3° |
| C25 | N20 | C21 | H12 | 144.0° | 24.3° |
| N20 | C25 | C27 | H29 | 47.6° | 59.1° |
| N20 | C25 | C27 | H30 | 71.3° | 60.9° |
| N20 | C25 | C32 | H36 | 71.5° | 62.5° |
| N20 | C25 | C32 | H37 | 47.0° | 57.7° |
| C21 | N20 | C25 | C32 | 59.6° | 125.9° |
| C21 | N20 | C25 | C27 | 69.1° | 114.3° |
| N20 | C21 | C22 | H11 | 121.5° | 120.0° |
| N20 | C21 | C22 | H12 | 121.5° | 120.0° |
| N20 | C21 | C22 | C23 | 142.7° | 179.1° |
| N20 | C21 | C22 | C24 | 17.6° | 60.9° |
| N20 | C21 | H11 | H12 | 115.1° | 120.0° |
| N20 | C21 | C22 | H13 | 102.2° | 59.1° |
| C21 | N20 | C25 | H28 | 174.4° | 5.8° |
| O2 | C3 | C4 | H1 | 65.2° | 59.9° |
| O2 | C3 | C4 | H2 | 54.9° | 60.0° |
| C3 | O2 | C1 | H17 | 180.0° | 60.0° |
| C3 | O2 | C1 | H18 | 60.0° | 60.0° |
| C3 | O2 | C1 | H19 | 60.0° | 180.0° |
| O2 | C3 | H20 | H21 | 119.7° | 120.0° |
| O2 | C1 | H17 | H18 | 120.0° | 120.0° |
| O2 | C1 | H17 | H19 | 120.0° | 120.0° |
| O2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C1 | O2 | C3 | H20 | 19.1° | 60.0° |
| C1 | O2 | C3 | H21 | 100.7° | 60.0° |
| C25 | C32 | C30 | H36 | 120.8° | 119.9° |
| C25 | C32 | C30 | H37 | 120.7° | 119.9° |
| C32 | C25 | C27 | H28 | 115.7° | 120.0° |
| C25 | C32 | C30 | C33 | 170.8° | 177.6° |
| C25 | C32 | C30 | C29 | 48.7° | 57.6° |
| C32 | C25 | C27 | N28 | 40.6° | 59.2° |
| C32 | C25 | C27 | H29 | 79.9° | 60.8° |
| C32 | C25 | C27 | H30 | 161.1° | 179.2° |
| C25 | C32 | C30 | H35 | 69.7° | 62.3° |
| C25 | C32 | H36 | H37 | 117.6° | 120.2° |
| C30 | C32 | C25 | C27 | 38.7° | 57.7° |
| C32 | C30 | C33 | C29 | 122.3° | 119.8° |
| C32 | C30 | C33 | H35 | 119.3° | 120.1° |
| C32 | C30 | C29 | H35 | 118.3° | 119.9° |
| C32 | C30 | C33 | N35 | 143.5° | 156.0° |
| C32 | C30 | C33 | O34 | 36.2° | 24.0° |
| C32 | C30 | C29 | N28 | 60.1° | 59.1° |
| C30 | C32 | C25 | H28 | 77.1° | 62.3° |
| C32 | C30 | C29 | H33 | 179.9° | 60.9° |
| C32 | C30 | C29 | H34 | 59.6° | 179.1° |
| C30 | C32 | H36 | H37 | 117.7° | 120.1° |
| C25 | C27 | N28 | H29 | 120.6° | 120.1° |
| C25 | C27 | N28 | H30 | 120.5° | 120.0° |
| C25 | C27 | N28 | C29 | 55.8° | 61.8° |
| C25 | C27 | H29 | H30 | 118.4° | 120.0° |
| C25 | C27 | N28 | H31 | 176.4° | 174.1° |
| C27 | C25 | C32 | H36 | 159.4° | 177.6° |
| C27 | C25 | C32 | H37 | 82.1° | 62.2° |
| C21 | C22 | C23 | C24 | 129.7° | 120.0° |
| C21 | C22 | C23 | H13 | 115.0° | 120.0° |
| C21 | C22 | C24 | H13 | 119.7° | 120.0° |
| C22 | C21 | H11 | H12 | 115.1° | 120.0° |
| C21 | C22 | C24 | H14 | 180.0° | 64.1° |
| C21 | C22 | C24 | H15 | 60.0° | 175.9° |
| C21 | C22 | C24 | H16 | 60.0° | 56.0° |
| C21 | C22 | C23 | H25 | 180.0° | 65.1° |
| C21 | C22 | C23 | H26 | 60.0° | 174.9° |
| C21 | C22 | C23 | H27 | 60.0° | 55.0° |
| N35 | C36 | C37 | H38 | 119.6° | 119.7° |
| N35 | C36 | C37 | H39 | 119.6° | 119.8° |
| C36 | N35 | C33 | C30 | 0.5° | 5.0° |
| C36 | N35 | C33 | C40 | 179.6° | 179.7° |
| C36 | N35 | C33 | O34 | 179.8° | 175.0° |
| C36 | N35 | C40 | C39 | 55.5° | 50.9° |
| N35 | C36 | C37 | O38 | 54.0° | 52.3° |
| N35 | C36 | H38 | H39 | 121.3° | 120.6° |
| N35 | C36 | C37 | H40 | 66.0° | 67.6° |
| N35 | C36 | C37 | H41 | 174.0° | 172.2° |
| C36 | N35 | C40 | H44 | 64.4° | 69.0° |
| C36 | N35 | C40 | H45 | 175.3° | 170.5° |
| C37 | C36 | N35 | C33 | 123.5° | 129.5° |
| C37 | C36 | N35 | C40 | 56.1° | 50.8° |
| C36 | C37 | O38 | H40 | 120.0° | 119.9° |
| C36 | C37 | O38 | H41 | 120.0° | 119.9° |
| C36 | C37 | O38 | C39 | 60.1° | 62.6° |
| C37 | C36 | H38 | H39 | 121.2° | 120.5° |
| C36 | C37 | H40 | H41 | 119.9° | 120.1° |
| C33 | C30 | C29 | H35 | 118.5° | 120.1° |
| C30 | C33 | N35 | O34 | 179.7° | 180.0° |
| C30 | C33 | N35 | C40 | 179.9° | 175.3° |
| C33 | C30 | C29 | N28 | 176.7° | 179.1° |
| C33 | C30 | C29 | H33 | 57.0° | 59.1° |
| C33 | C30 | C29 | H34 | 63.5° | 60.9° |
| C33 | C30 | C32 | H36 | 68.4° | 62.5° |
| C33 | C30 | C32 | H37 | 50.1° | 57.6° |
| C29 | C30 | C33 | N35 | 94.2° | 84.2° |
| C29 | C30 | C33 | O34 | 86.1° | 95.8° |
| C30 | C29 | N28 | C27 | 65.5° | 61.7° |
| C30 | C29 | N28 | H33 | 119.8° | 120.0° |
| C30 | C29 | N28 | H34 | 119.7° | 120.0° |
| C30 | C29 | N28 | H31 | 173.9° | 174.2° |
| C30 | C29 | H33 | H34 | 120.7° | 120.0° |
| C29 | C30 | C32 | H36 | 169.4° | 177.6° |
| C29 | C30 | C32 | H37 | 72.1° | 62.3° |
| C33 | N35 | C40 | C39 | 124.1° | 129.4° |
| N35 | C33 | C30 | H35 | 24.2° | 35.8° |
| C33 | N35 | C36 | H38 | 3.9° | 9.8° |
| C33 | N35 | C36 | H39 | 117.0° | 110.8° |
| C33 | N35 | C40 | H44 | 116.0° | 110.7° |
| C33 | N35 | C40 | H45 | 4.3° | 9.7° |
| C40 | N35 | C33 | O34 | 0.2° | 4.7° |
| N35 | C40 | C39 | H44 | 119.8° | 119.7° |
| N35 | C40 | C39 | H45 | 119.9° | 119.6° |
| N35 | C40 | C39 | O38 | 51.5° | 52.6° |
| C40 | N35 | C36 | H38 | 175.6° | 170.5° |
| C40 | N35 | C36 | H39 | 63.5° | 69.0° |
| N35 | C40 | C39 | H42 | 171.4° | 67.4° |
| N35 | C40 | C39 | H43 | 68.4° | 172.4° |
| N35 | C40 | H44 | H45 | 120.5° | 120.5° |
| O34 | C33 | C30 | H35 | 155.5° | 144.2° |
| C23 | C22 | C24 | H13 | 115.2° | 120.0° |
| C23 | C22 | C21 | H11 | 95.8° | 59.1° |
| C23 | C22 | C21 | H12 | 21.1° | 60.9° |
| C23 | C22 | C24 | H14 | 54.9° | 55.9° |
| C23 | C22 | C24 | H15 | 65.1° | 64.0° |
| C23 | C22 | C24 | H16 | 174.9° | 176.0° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C22 | C23 | H25 | H27 | 120.0° | 120.0° |
| C22 | C23 | H26 | H27 | 120.0° | 120.0° |
| C40 | C39 | O38 | C37 | 58.2° | 62.7° |
| C40 | C39 | O38 | H42 | 119.9° | 120.0° |
| C40 | C39 | O38 | H43 | 119.9° | 119.8° |
| C40 | C39 | H42 | H43 | 120.3° | 120.2° |
| C39 | C40 | H44 | H45 | 120.5° | 120.7° |
| C24 | C22 | C21 | H11 | 139.1° | 179.2° |
| C24 | C22 | C21 | H12 | 104.0° | 59.1° |
| C22 | C24 | H14 | H15 | 120.0° | 120.0° |
| C22 | C24 | H14 | H16 | 120.0° | 120.1° |
| C22 | C24 | H15 | H16 | 120.0° | 120.1° |
| C24 | C22 | C23 | H25 | 50.3° | 174.9° |
| C24 | C22 | C23 | H26 | 170.3° | 54.9° |
| C24 | C22 | C23 | H27 | 69.7° | 65.1° |
| C27 | N28 | C29 | H31 | 120.6° | 124.1° |
| N28 | C27 | C25 | H28 | 75.0° | 60.8° |
| N28 | C27 | H29 | H30 | 118.4° | 119.9° |
| C27 | N28 | C29 | H33 | 174.7° | 58.3° |
| C27 | N28 | C29 | H34 | 54.3° | 178.3° |
| O38 | C37 | C36 | H38 | 173.6° | 172.1° |
| O38 | C37 | C36 | H39 | 65.5° | 67.5° |
| O38 | C37 | H40 | H41 | 119.9° | 120.2° |
| C37 | O38 | C39 | H42 | 178.1° | 57.3° |
| C37 | O38 | C39 | H43 | 61.7° | 177.4° |
| C39 | O38 | C37 | H40 | 59.9° | 57.3° |
| C39 | O38 | C37 | H41 | 179.9° | 177.5° |
| O38 | C39 | H42 | H43 | 120.2° | 120.1° |
| O38 | C39 | C40 | H44 | 68.3° | 67.2° |
| O38 | C39 | C40 | H45 | 171.4° | 172.2° |
| C29 | N28 | C27 | H29 | 64.7° | 58.3° |
| C29 | N28 | C27 | H30 | 176.3° | 178.3° |
| N28 | C29 | H33 | H34 | 120.7° | 120.0° |
| N28 | C29 | C30 | H35 | 58.2° | 60.8° |
| H1 | C4 | C5 | H3 | 112.8° | 55.1° |
| H1 | C4 | C5 | H4 | 6.8° | 175.1° |
| H1 | C4 | C3 | H20 | 174.7° | 180.0° |
| H1 | C4 | C3 | H21 | 54.9° | 60.0° |
| H2 | C4 | C5 | H3 | 127.1° | 175.0° |
| H2 | C4 | C5 | H4 | 113.3° | 64.9° |
| H2 | C4 | C3 | H20 | 65.2° | 60.0° |
| H2 | C4 | C3 | H21 | 175.0° | 179.9° |
| H3 | C5 | C6 | H5 | 157.2° | 176.6° |
| H3 | C5 | C6 | H6 | 36.9° | 56.6° |
| H4 | C5 | C6 | H5 | 83.3° | 63.3° |
| H4 | C5 | C6 | H6 | 156.5° | 176.7° |
| H7 | C10 | C9 | H22 | 0.7° | 0.0° |
| H8 | C13 | C14 | H23 | 0.6° | 0.1° |
| H9 | C15 | C14 | H23 | 0.1° | 0.0° |
| H9 | C15 | C16 | H24 | 0.4° | 0.1° |
| H10 | C17 | C16 | H24 | 1.2° | 0.0° |
| H11 | C21 | C22 | H13 | 19.3° | 60.9° |
| H12 | C21 | C22 | H13 | 136.3° | 179.1° |
| H13 | C22 | C24 | H14 | 60.3° | 175.9° |
| H13 | C22 | C24 | H15 | 179.7° | 56.0° |
| H13 | C22 | C24 | H16 | 59.7° | 64.0° |
| H13 | C22 | C23 | H25 | 65.0° | 54.9° |
| H13 | C22 | C23 | H26 | 55.0° | 65.1° |
| H13 | C22 | C23 | H27 | 175.0° | 174.9° |
| H14 | C24 | H15 | H16 | 120.0° | 119.9° |
| H17 | C1 | H18 | H19 | 120.0° | 119.9° |
| H25 | C23 | H26 | H27 | 120.0° | 120.0° |
| H28 | C25 | C27 | H29 | 164.4° | 179.2° |
| H28 | C25 | C27 | H30 | 45.5° | 59.2° |
| H28 | C25 | C32 | H36 | 43.7° | 57.6° |
| H28 | C25 | C32 | H37 | 162.2° | 177.8° |
| H29 | C27 | N28 | H31 | 55.9° | 65.8° |
| H30 | C27 | N28 | H31 | 63.1° | 54.2° |
| H31 | N28 | C29 | H33 | 54.1° | 65.8° |
| H31 | N28 | C29 | H34 | 66.3° | 54.2° |
| H33 | C29 | C30 | H35 | 61.6° | 179.2° |
| H34 | C29 | C30 | H35 | 177.9° | 59.2° |
| H35 | C30 | C32 | H36 | 51.1° | 57.6° |
| H35 | C30 | C32 | H37 | 169.6° | 177.8° |
| H38 | C36 | C37 | H40 | 53.5° | 52.1° |
| H38 | C36 | C37 | H41 | 66.4° | 68.0° |
| H39 | C36 | C37 | H40 | 174.4° | 172.6° |
| H39 | C36 | C37 | H41 | 54.5° | 52.5° |
| H42 | C39 | C40 | H44 | 51.6° | 172.9° |
| H42 | C39 | C40 | H45 | 68.7° | 52.2° |
| H43 | C39 | C40 | H44 | 171.8° | 52.7° |
| H43 | C39 | C40 | H45 | 51.5° | 68.0° |
