6NV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C23 | sing | 1.53Å | 1.62Å | |
| C25 | C26 | sing | 1.53Å | 1.58Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | C15 | sing | 1.53Å | 1.55Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.42Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.46Å | 1.47Å | |
| C17 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | C12 | sing | 1.35Å | 1.35Å | |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | N1 | sing | 1.46Å | 1.48Å | |
| C3 | C4 | sing | 1.51Å | 1.39Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C44 | sing | 1.35Å | 1.35Å | |
| O45 | C44 | doub | 1.21Å | 1.23Å | |
| C44 | C42 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | O8 | sing | 1.36Å | 1.37Å | |
| O8 | C9 | sing | 1.43Å | 1.44Å | |
| C43 | C42 | sing | 1.53Å | 1.56Å | |
| C42 | N41 | sing | 1.47Å | 1.49Å | |
| N41 | C39 | sing | 1.35Å | 1.36Å | |
| O40 | C39 | doub | 1.22Å | 1.23Å | |
| C39 | C38 | sing | 1.47Å | 1.36Å | |
| C38 | C37 | doub | 1.38Å | 1.40Å | |
| C38 | C30 | sing | 1.46Å | 1.35Å | |
| C37 | C36 | sing | 1.46Å | 1.36Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | doub | 1.36Å | 1.34Å | |
| C36 | C31 | sing | 1.48Å | 1.34Å | |
| C36 | C35 | doub | 1.35Å | 1.34Å | |
| C31 | C32 | sing | 1.47Å | 1.34Å | |
| C35 | C34 | sing | 1.51Å | 1.39Å | |
| C32 | C33 | doub | 1.33Å | 1.39Å | |
| C34 | C33 | sing | 1.51Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.08Å | 1.08Å | |
| C33 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C37 | H20 | sing | 1.08Å | 1.08Å | |
| N41 | H21 | sing | 0.97Å | 1.00Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| C43 | H23 | sing | 1.09Å | 1.10Å | |
| C43 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| N14 | H33 | sing | 0.97Å | 1.00Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.08Å | 1.08Å | |
| C19 | H37 | sing | 1.08Å | 1.08Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| O24 | H39 | sing | 0.97Å | 0.95Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| O28 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C25 | C26 | 112.9° | 109.5° |
| C23 | C25 | C27 | 110.1° | 109.5° |
| C25 | C23 | O24 | 109.8° | 109.5° |
| C25 | C23 | C15 | 118.2° | 109.5° |
| C25 | C23 | H38 | 105.5° | 109.5° |
| C23 | C25 | H40 | 108.7° | 109.5° |
| C26 | C25 | C27 | 106.2° | 109.5° |
| C25 | C26 | H9 | 109.5° | 109.5° |
| C25 | C26 | H10 | 109.5° | 109.5° |
| C25 | C26 | H11 | 109.5° | 109.4° |
| C26 | C25 | H40 | 109.2° | 109.5° |
| C25 | C27 | O28 | 105.7° | 109.5° |
| C27 | C25 | H40 | 109.8° | 109.5° |
| C25 | C27 | H41 | 110.4° | 109.5° |
| C25 | C27 | H42 | 110.4° | 109.5° |
| O24 | C23 | C15 | 108.8° | 109.4° |
| O24 | C23 | H38 | 107.7° | 109.5° |
| C23 | O24 | H39 | 109.5° | 114.0° |
| C23 | C15 | C16 | 106.0° | 109.4° |
| C23 | C15 | N14 | 111.7° | 109.5° |
| C23 | C15 | H5 | 110.1° | 109.5° |
| C15 | C23 | H38 | 106.3° | 109.5° |
| O28 | C27 | H41 | 110.4° | 109.5° |
| O28 | C27 | H42 | 110.4° | 109.4° |
| C27 | O28 | H43 | 109.5° | 114.1° |
| C15 | C16 | C17 | 115.2° | 109.5° |
| C16 | C15 | N14 | 107.3° | 109.5° |
| C16 | C15 | H5 | 110.3° | 109.5° |
| C15 | C16 | H34 | 108.0° | 109.5° |
| C15 | C16 | H35 | 108.0° | 109.5° |
| C16 | C17 | C18 | 115.1° | 120.0° |
| C16 | C17 | C22 | 127.0° | 120.0° |
| C17 | C16 | H34 | 108.0° | 109.5° |
| C17 | C16 | H35 | 108.0° | 109.4° |
| C17 | C18 | C19 | 121.7° | 120.0° |
| C18 | C17 | C22 | 117.9° | 120.0° |
| C17 | C18 | H36 | 119.2° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C19 | C18 | H36 | 119.2° | 120.0° |
| C18 | C19 | H37 | 120.0° | 120.0° |
| C15 | N14 | C12 | 123.5° | 120.0° |
| N14 | C15 | H5 | 111.2° | 109.5° |
| C15 | N14 | H33 | 118.3° | 120.0° |
| C17 | C22 | C21 | 120.3° | 120.0° |
| C17 | C22 | H8 | 119.8° | 120.1° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | H6 | 120.3° | 120.0° |
| C20 | C19 | H37 | 120.0° | 120.0° |
| C22 | C21 | C20 | 120.8° | 120.0° |
| C22 | C21 | H7 | 119.6° | 120.0° |
| C21 | C22 | H8 | 119.8° | 120.0° |
| C21 | C20 | H6 | 120.3° | 120.0° |
| C20 | C21 | H7 | 119.6° | 120.0° |
| N14 | C12 | O13 | 125.5° | 120.0° |
| N14 | C12 | C2 | 113.8° | 120.0° |
| C12 | N14 | H33 | 118.2° | 119.9° |
| O13 | C12 | C2 | 120.6° | 120.0° |
| C12 | C2 | C3 | 108.1° | 109.4° |
| C12 | C2 | N1 | 111.2° | 109.5° |
| C12 | C2 | H26 | 108.5° | 109.5° |
| C3 | C2 | N1 | 111.1° | 109.4° |
| C2 | C3 | C4 | 102.7° | 109.4° |
| C3 | C2 | H26 | 108.8° | 109.5° |
| C2 | C3 | H27 | 111.1° | 109.4° |
| C2 | C3 | H28 | 111.1° | 109.4° |
| C2 | N1 | C44 | 120.0° | 120.0° |
| C2 | N1 | H1 | 120.0° | 120.0° |
| N1 | C2 | H26 | 109.1° | 109.5° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | C11 | 119.5° | 119.9° |
| C4 | C3 | H27 | 111.1° | 109.5° |
| C4 | C3 | H28 | 111.1° | 109.5° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C5 | C4 | C11 | 120.2° | 120.1° |
| C4 | C5 | H2 | 120.2° | 119.9° |
| C5 | C6 | C7 | 120.2° | 119.9° |
| C6 | C5 | H2 | 120.2° | 120.0° |
| C5 | C6 | H3 | 119.9° | 120.1° |
| C4 | C11 | C10 | 120.0° | 120.0° |
| C4 | C11 | H29 | 120.0° | 120.0° |
| C6 | C7 | C10 | 119.8° | 119.9° |
| C6 | C7 | O8 | 118.5° | 120.1° |
| C7 | C6 | H3 | 119.9° | 120.0° |
| N1 | C44 | O45 | 122.2° | 119.9° |
| N1 | C44 | C42 | 119.5° | 120.0° |
| C44 | N1 | H1 | 120.0° | 120.0° |
| O45 | C44 | C42 | 118.0° | 120.0° |
| C44 | C42 | C43 | 115.4° | 109.5° |
| C44 | C42 | N41 | 113.2° | 109.5° |
| C44 | C42 | H22 | 103.9° | 109.5° |
| C11 | C10 | C7 | 120.0° | 120.0° |
| C11 | C10 | H4 | 120.0° | 120.0° |
| C10 | C11 | H29 | 120.0° | 120.0° |
| C10 | C7 | O8 | 121.7° | 120.1° |
| C7 | C10 | H4 | 120.0° | 120.0° |
| C7 | O8 | C9 | 117.7° | 117.0° |
| O8 | C9 | H30 | 109.5° | 109.5° |
| O8 | C9 | H31 | 109.4° | 109.5° |
| O8 | C9 | H32 | 109.4° | 109.5° |
| C43 | C42 | N41 | 114.3° | 109.4° |
| C43 | C42 | H22 | 103.8° | 109.4° |
| C42 | C43 | H23 | 109.5° | 109.5° |
| C42 | C43 | H24 | 109.5° | 109.5° |
| C42 | C43 | H25 | 109.5° | 109.4° |
| C42 | N41 | C39 | 128.6° | 120.0° |
| C42 | N41 | H21 | 115.7° | 120.0° |
| N41 | C42 | H22 | 104.4° | 109.5° |
| N41 | C39 | O40 | 123.4° | 120.0° |
| N41 | C39 | C38 | 115.6° | 120.0° |
| C39 | N41 | H21 | 115.7° | 120.0° |
| O40 | C39 | C38 | 121.0° | 120.0° |
| C39 | C38 | C37 | 124.4° | 125.4° |
| C39 | C38 | C30 | 128.6° | 125.4° |
| C37 | C38 | C30 | 106.8° | 109.1° |
| C38 | C37 | C36 | 105.6° | 107.2° |
| C38 | C37 | H20 | 127.2° | 126.4° |
| C38 | C30 | C29 | 128.1° | 125.3° |
| C38 | C30 | C31 | 109.9° | 109.3° |
| C37 | C36 | C31 | 110.1° | 106.8° |
| C37 | C36 | C35 | 128.4° | 132.8° |
| C36 | C37 | H20 | 127.2° | 126.4° |
| C29 | C30 | C31 | 122.0° | 125.3° |
| C30 | C29 | H12 | 109.5° | 109.5° |
| C30 | C29 | H13 | 109.5° | 109.4° |
| C30 | C29 | H14 | 109.5° | 109.5° |
| C30 | C31 | C36 | 107.4° | 107.5° |
| C30 | C31 | C32 | 132.4° | 132.0° |
| C31 | C36 | C35 | 121.4° | 120.4° |
| C36 | C31 | C32 | 120.2° | 120.5° |
| C36 | C35 | C34 | 120.9° | 119.0° |
| C36 | C35 | H19 | 119.6° | 120.5° |
| C31 | C32 | C33 | 120.7° | 120.9° |
| C31 | C32 | H15 | 119.7° | 119.5° |
| C35 | C34 | C33 | 118.1° | 119.2° |
| C35 | C34 | H17 | 107.3° | 107.5° |
| C35 | C34 | H18 | 107.3° | 107.5° |
| C34 | C35 | H19 | 119.5° | 120.5° |
| C32 | C33 | C34 | 118.7° | 120.0° |
| C33 | C32 | H15 | 119.6° | 119.6° |
| C32 | C33 | H16 | 120.7° | 120.0° |
| C34 | C33 | H16 | 120.6° | 120.0° |
| C33 | C34 | H17 | 107.2° | 107.5° |
| C33 | C34 | H18 | 107.3° | 107.5° |
| H9 | C26 | H10 | 109.4° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H14 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.4° |
| H17 | C34 | H18 | 109.5° | 107.1° |
| H23 | C43 | H24 | 109.5° | 109.5° |
| H23 | C43 | H25 | 109.5° | 109.5° |
| H24 | C43 | H25 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H30 | C9 | H31 | 109.5° | 109.5° |
| H30 | C9 | H32 | 109.5° | 109.5° |
| H31 | C9 | H32 | 109.5° | 109.4° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C25 | C26 | C27 | 120.8° | 120.0° |
| C23 | C25 | C26 | H40 | 121.0° | 120.0° |
| C23 | C25 | C27 | H40 | 119.6° | 120.0° |
| C25 | C23 | O24 | C15 | 130.8° | 120.0° |
| C25 | C23 | O24 | H38 | 114.4° | 120.1° |
| C25 | C23 | C15 | H38 | 118.2° | 120.1° |
| C23 | C25 | C27 | O28 | 67.6° | 175.6° |
| C25 | C23 | C15 | C16 | 157.1° | 64.7° |
| C25 | C23 | C15 | N14 | 86.3° | 175.3° |
| C25 | C23 | C15 | H5 | 37.8° | 55.3° |
| C23 | C25 | C26 | H9 | 180.0° | 180.0° |
| C23 | C25 | C26 | H10 | 60.0° | 60.0° |
| C23 | C25 | C26 | H11 | 60.0° | 60.0° |
| C25 | C23 | O24 | H39 | 180.0° | 180.0° |
| C23 | C25 | C27 | H41 | 173.0° | 55.5° |
| C23 | C25 | C27 | H42 | 51.8° | 64.5° |
| C26 | C25 | C27 | H40 | 117.9° | 120.0° |
| C26 | C25 | C23 | O24 | 142.7° | 54.1° |
| C26 | C25 | C23 | C15 | 17.1° | 65.9° |
| C26 | C25 | C27 | O28 | 55.0° | 64.4° |
| C25 | C26 | H9 | H10 | 120.0° | 120.0° |
| C25 | C26 | H9 | H11 | 120.0° | 119.9° |
| C25 | C26 | H10 | H11 | 120.0° | 120.0° |
| C26 | C25 | C23 | H38 | 101.5° | 174.1° |
| C26 | C25 | C27 | H41 | 64.5° | 175.5° |
| C26 | C25 | C27 | H42 | 174.4° | 55.6° |
| C27 | C25 | C23 | O24 | 24.2° | 65.9° |
| C27 | C25 | C23 | C15 | 101.4° | 174.2° |
| C25 | C27 | O28 | H41 | 119.4° | 120.1° |
| C25 | C27 | O28 | H42 | 119.4° | 120.1° |
| C27 | C25 | C26 | H9 | 59.2° | 60.0° |
| C27 | C25 | C26 | H10 | 60.8° | 60.0° |
| C27 | C25 | C26 | H11 | 179.3° | 180.0° |
| C27 | C25 | C23 | H38 | 140.0° | 54.1° |
| C25 | C27 | H41 | H42 | 121.7° | 120.0° |
| C25 | C27 | O28 | H43 | 180.0° | 180.0° |
| O24 | C23 | C15 | H38 | 115.7° | 120.0° |
| O24 | C23 | C15 | C16 | 76.9° | 175.3° |
| O24 | C23 | C15 | N14 | 39.7° | 55.4° |
| O24 | C23 | C15 | H5 | 163.8° | 64.7° |
| O24 | C23 | C25 | H40 | 96.1° | 174.1° |
| C23 | C15 | C16 | N14 | 119.5° | 120.0° |
| C23 | C15 | C16 | H5 | 119.1° | 120.0° |
| C23 | C15 | C16 | C17 | 162.9° | 176.2° |
| C23 | C15 | N14 | H5 | 123.4° | 120.1° |
| C23 | C15 | N14 | C12 | 123.5° | 85.1° |
| C23 | C15 | N14 | H33 | 56.5° | 95.0° |
| C23 | C15 | C16 | H34 | 76.3° | 63.8° |
| C23 | C15 | C16 | H35 | 42.0° | 56.3° |
| C15 | C23 | O24 | H39 | 49.2° | 60.0° |
| C15 | C23 | C25 | H40 | 138.3° | 54.2° |
| O28 | C27 | C25 | H40 | 172.8° | 55.6° |
| O28 | C27 | H41 | H42 | 121.7° | 119.9° |
| C15 | C16 | C17 | H34 | 120.8° | 120.0° |
| C15 | C16 | C17 | H35 | 120.8° | 120.0° |
| C15 | C16 | C17 | C18 | 179.0° | 89.7° |
| C16 | C15 | N14 | H5 | 120.8° | 120.0° |
| C15 | C16 | C17 | C22 | 1.3° | 90.0° |
| C16 | C15 | N14 | C12 | 120.7° | 155.0° |
| C16 | C15 | N14 | H33 | 59.3° | 25.0° |
| C15 | C16 | H34 | H35 | 117.4° | 120.0° |
| C16 | C15 | C23 | H38 | 38.8° | 55.3° |
| C16 | C17 | C18 | C22 | 179.8° | 179.7° |
| C16 | C17 | C18 | C19 | 179.9° | 179.8° |
| C17 | C16 | C15 | N14 | 77.6° | 63.8° |
| C16 | C17 | C22 | C21 | 179.9° | 180.0° |
| C17 | C16 | C15 | H5 | 43.7° | 56.2° |
| C16 | C17 | C22 | H8 | 0.1° | 0.0° |
| C17 | C16 | H34 | H35 | 117.4° | 120.0° |
| C16 | C17 | C18 | H36 | 0.1° | 0.3° |
| C17 | C18 | C19 | H36 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C22 | C21 | 0.4° | 0.3° |
| C18 | C17 | C22 | H8 | 179.6° | 179.7° |
| C18 | C17 | C16 | H34 | 58.2° | 150.3° |
| C18 | C17 | C16 | H35 | 60.2° | 30.3° |
| C17 | C18 | C19 | H37 | 179.9° | 180.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.1° |
| C18 | C19 | C20 | H37 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C18 | C19 | C20 | H6 | 179.9° | 179.8° |
| C15 | N14 | C12 | H33 | 180.0° | 179.9° |
| C15 | N14 | C12 | O13 | 4.3° | 0.0° |
| C15 | N14 | C12 | C2 | 178.3° | 180.0° |
| N14 | C15 | C16 | H34 | 43.2° | 56.2° |
| N14 | C15 | C16 | H35 | 161.6° | 176.2° |
| N14 | C15 | C23 | H38 | 155.4° | 64.6° |
| C17 | C22 | C21 | H8 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.3° | 0.5° |
| C17 | C22 | C21 | H7 | 179.7° | 179.4° |
| C22 | C17 | C16 | H34 | 122.1° | 30.0° |
| C22 | C17 | C16 | H35 | 119.5° | 150.0° |
| C22 | C17 | C18 | H36 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.5° |
| C19 | C20 | C21 | H6 | 180.0° | 179.5° |
| C19 | C20 | C21 | H7 | 179.9° | 179.4° |
| C20 | C19 | C18 | H36 | 179.9° | 180.0° |
| C22 | C21 | C20 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C20 | C21 | C22 | H8 | 179.7° | 179.4° |
| C21 | C20 | C19 | H37 | 179.8° | 179.8° |
| N14 | C12 | O13 | C2 | 177.3° | 180.0° |
| N14 | C12 | C2 | C3 | 82.9° | 60.0° |
| N14 | C12 | C2 | N1 | 154.9° | 180.0° |
| C12 | N14 | C15 | H5 | 0.1° | 35.0° |
| N14 | C12 | C2 | H26 | 34.9° | 60.0° |
| O13 | C12 | C2 | C3 | 94.6° | 120.0° |
| O13 | C12 | C2 | N1 | 27.6° | 0.1° |
| O13 | C12 | C2 | H26 | 147.5° | 120.0° |
| O13 | C12 | N14 | H33 | 175.8° | 180.0° |
| C12 | C2 | C3 | N1 | 122.2° | 120.0° |
| C12 | C2 | C3 | H26 | 117.7° | 120.0° |
| C12 | C2 | N1 | H26 | 119.6° | 120.0° |
| C12 | C2 | C3 | C4 | 152.2° | 175.0° |
| C12 | C2 | N1 | C44 | 127.2° | 155.0° |
| C12 | C2 | N1 | H1 | 52.8° | 25.2° |
| C12 | C2 | C3 | H27 | 88.9° | 55.0° |
| C12 | C2 | C3 | H28 | 33.3° | 65.0° |
| C2 | C12 | N14 | H33 | 1.7° | 0.0° |
| C3 | C2 | N1 | H26 | 119.9° | 120.0° |
| C2 | C3 | C4 | H27 | 118.9° | 119.9° |
| C2 | C3 | C4 | H28 | 118.9° | 120.0° |
| C2 | C3 | C4 | C5 | 91.3° | 90.3° |
| C2 | C3 | C4 | C11 | 88.2° | 90.0° |
| C3 | C2 | N1 | C44 | 112.4° | 85.0° |
| C3 | C2 | N1 | H1 | 67.6° | 94.7° |
| C2 | C3 | H27 | H28 | 123.2° | 119.9° |
| N1 | C2 | C3 | C4 | 85.6° | 65.0° |
| C2 | N1 | C44 | H1 | 180.0° | 179.8° |
| C2 | N1 | C44 | O45 | 3.2° | 0.2° |
| C2 | N1 | C44 | C42 | 177.5° | 179.8° |
| N1 | C2 | C3 | H27 | 33.3° | 175.0° |
| N1 | C2 | C3 | H28 | 155.5° | 55.0° |
| C3 | C4 | C5 | C11 | 179.5° | 179.6° |
| C3 | C4 | C5 | C6 | 179.7° | 179.7° |
| C3 | C4 | C11 | C10 | 179.7° | 179.6° |
| C3 | C4 | C5 | H2 | 0.2° | 0.4° |
| C4 | C3 | C2 | H26 | 34.5° | 55.0° |
| C4 | C3 | H27 | H28 | 123.1° | 120.1° |
| C3 | C4 | C11 | H29 | 0.3° | 0.3° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C5 | C4 | C11 | C10 | 0.3° | 0.0° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| C5 | C4 | C3 | H27 | 149.8° | 29.6° |
| C5 | C4 | C3 | H28 | 27.6° | 149.7° |
| C5 | C4 | C11 | H29 | 179.7° | 179.9° |
| C6 | C5 | C4 | C11 | 0.3° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C10 | 0.6° | 0.0° |
| C5 | C6 | C7 | O8 | 179.6° | 180.0° |
| C4 | C11 | C10 | H29 | 180.0° | 179.9° |
| C4 | C11 | C10 | C7 | 0.4° | 0.0° |
| C11 | C4 | C5 | H2 | 179.7° | 180.0° |
| C4 | C11 | C10 | H4 | 179.5° | 180.0° |
| C11 | C4 | C3 | H27 | 30.7° | 150.0° |
| C11 | C4 | C3 | H28 | 152.9° | 29.9° |
| C6 | C7 | C10 | C11 | 0.6° | 0.0° |
| C6 | C7 | C10 | O8 | 179.0° | 180.0° |
| C6 | C7 | O8 | C9 | 140.8° | 180.0° |
| C7 | C6 | C5 | H2 | 179.5° | 180.0° |
| C6 | C7 | C10 | H4 | 179.4° | 179.9° |
| N1 | C44 | O45 | C42 | 174.3° | 180.0° |
| N1 | C44 | C42 | C43 | 9.4° | 60.0° |
| N1 | C44 | C42 | N41 | 125.0° | 180.0° |
| N1 | C44 | C42 | H22 | 122.4° | 60.0° |
| C44 | N1 | C2 | H26 | 7.5° | 35.0° |
| O45 | C44 | C42 | C43 | 165.1° | 120.0° |
| O45 | C44 | C42 | N41 | 60.5° | 0.1° |
| O45 | C44 | N1 | H1 | 176.8° | 180.0° |
| O45 | C44 | C42 | H22 | 52.1° | 120.0° |
| C44 | C42 | C43 | N41 | 133.9° | 120.0° |
| C44 | C42 | C43 | H22 | 113.0° | 120.0° |
| C44 | C42 | N41 | H22 | 112.3° | 120.1° |
| C44 | C42 | N41 | C39 | 101.7° | 155.0° |
| C42 | C44 | N1 | H1 | 2.5° | 0.0° |
| C44 | C42 | N41 | H21 | 78.3° | 24.9° |
| C44 | C42 | C43 | H23 | 180.0° | 60.0° |
| C44 | C42 | C43 | H24 | 60.0° | 180.0° |
| C44 | C42 | C43 | H25 | 60.0° | 60.0° |
| C11 | C10 | C7 | H4 | 180.0° | 179.9° |
| C11 | C10 | C7 | O8 | 179.6° | 180.0° |
| C10 | C7 | O8 | C9 | 40.2° | 0.0° |
| C10 | C7 | C6 | H3 | 179.4° | 180.0° |
| C7 | C10 | C11 | H29 | 179.6° | 180.0° |
| O8 | C7 | C6 | H3 | 0.4° | 0.0° |
| O8 | C7 | C10 | H4 | 0.4° | 0.1° |
| C7 | O8 | C9 | H30 | 180.0° | 180.0° |
| C7 | O8 | C9 | H31 | 60.0° | 60.0° |
| C7 | O8 | C9 | H32 | 60.0° | 60.0° |
| O8 | C9 | H30 | H31 | 120.0° | 120.0° |
| O8 | C9 | H30 | H32 | 120.0° | 120.1° |
| O8 | C9 | H31 | H32 | 120.0° | 120.0° |
| C43 | C42 | N41 | H22 | 112.8° | 120.0° |
| C43 | C42 | N41 | C39 | 33.2° | 85.0° |
| C43 | C42 | N41 | H21 | 146.8° | 95.0° |
| C42 | C43 | H23 | H24 | 120.0° | 120.1° |
| C42 | C43 | H23 | H25 | 120.0° | 119.9° |
| C42 | C43 | H24 | H25 | 120.0° | 120.0° |
| C42 | N41 | C39 | H21 | 180.0° | 179.9° |
| C42 | N41 | C39 | O40 | 2.6° | 5.0° |
| C42 | N41 | C39 | C38 | 179.2° | 175.0° |
| N41 | C42 | C43 | H23 | 46.1° | 60.0° |
| N41 | C42 | C43 | H24 | 166.1° | 60.0° |
| N41 | C42 | C43 | H25 | 73.9° | 180.0° |
| N41 | C39 | O40 | C38 | 178.2° | 179.9° |
| N41 | C39 | C38 | C37 | 3.9° | 5.1° |
| N41 | C39 | C38 | C30 | 178.5° | 174.5° |
| C39 | N41 | C42 | H22 | 146.0° | 34.9° |
| O40 | C39 | C38 | C37 | 177.8° | 174.9° |
| O40 | C39 | C38 | C30 | 3.2° | 5.6° |
| O40 | C39 | N41 | H21 | 177.4° | 175.0° |
| C39 | C38 | C37 | C30 | 175.6° | 179.6° |
| C39 | C38 | C37 | C36 | 179.5° | 180.0° |
| C39 | C38 | C30 | C29 | 2.9° | 0.3° |
| C39 | C38 | C30 | C31 | 178.3° | 180.0° |
| C39 | C38 | C37 | H20 | 0.5° | 0.3° |
| C38 | C39 | N41 | H21 | 0.8° | 4.9° |
| C38 | C37 | C36 | H20 | 180.0° | 179.8° |
| C37 | C38 | C30 | C29 | 178.2° | 179.8° |
| C37 | C38 | C30 | C31 | 3.0° | 0.4° |
| C38 | C37 | C36 | C31 | 3.5° | 0.3° |
| C38 | C37 | C36 | C35 | 178.9° | 179.8° |
| C30 | C38 | C37 | C36 | 3.9° | 0.4° |
| C38 | C30 | C29 | C31 | 178.7° | 179.7° |
| C38 | C30 | C31 | C36 | 0.8° | 0.2° |
| C38 | C30 | C31 | C32 | 178.6° | 179.7° |
| C38 | C30 | C29 | H12 | 180.0° | 85.0° |
| C38 | C30 | C29 | H13 | 60.0° | 34.9° |
| C38 | C30 | C29 | H14 | 60.0° | 154.9° |
| C30 | C38 | C37 | H20 | 176.1° | 179.8° |
| C37 | C36 | C31 | C30 | 1.8° | 0.0° |
| C37 | C36 | C31 | C35 | 177.7° | 180.0° |
| C37 | C36 | C31 | C32 | 178.7° | 180.0° |
| C37 | C36 | C35 | C34 | 178.1° | 180.0° |
| C37 | C36 | C35 | H19 | 2.0° | 0.0° |
| C29 | C30 | C31 | C36 | 179.7° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | H12 | H13 | 120.0° | 120.0° |
| C30 | C29 | H12 | H14 | 120.0° | 120.1° |
| C30 | C29 | H13 | H14 | 120.0° | 120.0° |
| C30 | C31 | C36 | C32 | 179.5° | 180.0° |
| C30 | C31 | C36 | C35 | 179.5° | 180.0° |
| C30 | C31 | C32 | C33 | 180.0° | 180.0° |
| C31 | C30 | C29 | H12 | 1.3° | 95.2° |
| C31 | C30 | C29 | H13 | 121.4° | 144.8° |
| C31 | C30 | C29 | H14 | 118.7° | 24.8° |
| C30 | C31 | C32 | H15 | 0.0° | 0.0° |
| C31 | C36 | C35 | C34 | 0.8° | 0.0° |
| C36 | C31 | C32 | C33 | 0.7° | 0.1° |
| C36 | C31 | C32 | H15 | 179.3° | 180.0° |
| C31 | C36 | C35 | H19 | 179.2° | 180.0° |
| C31 | C36 | C37 | H20 | 176.5° | 180.0° |
| C35 | C36 | C31 | C32 | 1.0° | 0.0° |
| C36 | C35 | C34 | H19 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C36 | C35 | C34 | H17 | 120.9° | 122.5° |
| C36 | C35 | C34 | H18 | 121.5° | 122.5° |
| C35 | C36 | C37 | H20 | 1.1° | 0.0° |
| C31 | C32 | C33 | H15 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.2° | 0.1° |
| C31 | C32 | C33 | H16 | 179.8° | 179.9° |
| C35 | C34 | C33 | C32 | 0.0° | 0.0° |
| C35 | C34 | C33 | H17 | 121.2° | 122.5° |
| C35 | C34 | C33 | H18 | 121.2° | 122.5° |
| C35 | C34 | C33 | H16 | 180.0° | 180.0° |
| C35 | C34 | H17 | H18 | 116.1° | 115.2° |
| C32 | C33 | C34 | H16 | 180.0° | 180.0° |
| C32 | C33 | C34 | H17 | 121.2° | 122.5° |
| C32 | C33 | C34 | H18 | 121.3° | 122.4° |
| C34 | C33 | C32 | H15 | 179.8° | 180.0° |
| C33 | C34 | H17 | H18 | 116.1° | 115.4° |
| C33 | C34 | C35 | H19 | 179.7° | 180.0° |
| H1 | N1 | C2 | H26 | 172.5° | 145.3° |
| H2 | C5 | C6 | H3 | 0.5° | 0.0° |
| H4 | C10 | C11 | H29 | 0.4° | 0.1° |
| H5 | C15 | N14 | H33 | 179.9° | 144.9° |
| H5 | C15 | C16 | H34 | 164.6° | 176.2° |
| H5 | C15 | C16 | H35 | 77.1° | 63.8° |
| H5 | C15 | C23 | H38 | 80.5° | 175.3° |
| H6 | C20 | C21 | H7 | 0.1° | 0.1° |
| H6 | C20 | C19 | H37 | 0.1° | 0.3° |
| H7 | C21 | C22 | H8 | 0.3° | 0.6° |
| H9 | C26 | H10 | H11 | 120.0° | 120.0° |
| H9 | C26 | C25 | H40 | 59.1° | 60.0° |
| H10 | C26 | C25 | H40 | 179.0° | NaN° |
| H11 | C26 | C25 | H40 | 61.0° | 60.0° |
| H12 | C29 | H13 | H14 | 120.0° | 120.0° |
| H15 | C32 | C33 | H16 | 0.2° | 0.0° |
| H16 | C33 | C34 | H17 | 58.8° | 57.5° |
| H16 | C33 | C34 | H18 | 58.8° | 57.6° |
| H17 | C34 | C35 | H19 | 59.1° | 57.5° |
| H18 | C34 | C35 | H19 | 58.5° | 57.5° |
| H21 | N41 | C42 | H22 | 34.0° | 145.0° |
| H22 | C42 | C43 | H23 | 67.1° | 180.0° |
| H22 | C42 | C43 | H24 | 52.9° | 60.0° |
| H22 | C42 | C43 | H25 | 172.9° | 60.0° |
| H23 | C43 | H24 | H25 | 120.0° | 120.0° |
| H26 | C2 | C3 | H27 | 153.4° | 65.0° |
| H26 | C2 | C3 | H28 | 84.4° | 175.0° |
| H30 | C9 | H31 | H32 | 120.0° | 120.0° |
| H36 | C18 | C19 | H37 | 0.1° | 0.0° |
| H38 | C23 | O24 | H39 | 65.6° | 59.9° |
| H38 | C23 | C25 | H40 | 19.7° | 65.9° |
| H40 | C25 | C27 | H41 | 53.4° | 64.5° |
| H40 | C25 | C27 | H42 | 67.8° | 175.6° |
| H41 | C27 | O28 | H43 | 60.6° | 59.9° |
| H42 | C27 | O28 | H43 | 60.6° | 60.0° |
