1RK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| O8 | C5 | doub | 1.21Å | 1.24Å | |
| C3 | C5 | sing | 1.51Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.60Å | |
| C5 | N6 | sing | 1.35Å | 1.34Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C9 | sing | 1.53Å | 1.52Å | |
| C18 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| N6 | C7 | sing | 1.46Å | 1.49Å | |
| C23 | O24 | sing | 1.43Å | 1.41Å | |
| C7 | C9 | sing | 1.52Å | 1.59Å | |
| C7 | C16 | sing | 1.51Å | 1.48Å | |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N13 | sing | 1.40Å | 1.41Å | |
| C11 | O10 | sing | 1.36Å | 1.40Å | |
| C9 | O10 | sing | 1.43Å | 1.44Å | |
| C9 | C26 | sing | 1.53Å | 1.52Å | |
| C29 | O28 | sing | 1.43Å | 1.44Å | |
| N13 | C16 | sing | 1.35Å | 1.38Å | |
| N13 | C14 | sing | 1.47Å | 1.52Å | |
| C16 | O17 | doub | 1.21Å | 1.26Å | |
| O28 | C27 | sing | 1.36Å | 1.40Å | |
| O24 | C25 | sing | 1.43Å | 1.39Å | |
| C14 | C15 | sing | 1.51Å | 1.42Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C27 | C15 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C37 | doub | 1.41Å | 1.43Å | Aromatic |
| C33 | C32 | sing | 1.42Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.36Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.41Å | 1.43Å | Aromatic |
| C32 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.42Å | Aromatic |
| C35 | C38 | sing | 1.48Å | 1.40Å | |
| C38 | O40 | doub | 1.21Å | 1.26Å | |
| C38 | O39 | sing | 1.35Å | 1.24Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.08Å | 1.08Å | |
| C31 | H5 | sing | 1.08Å | 1.08Å | |
| C34 | H6 | sing | 1.08Å | 1.08Å | |
| O39 | H7 | sing | 0.97Å | 0.95Å | |
| C36 | H8 | sing | 1.08Å | 1.08Å | |
| C37 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| N1 | H30 | sing | 1.01Å | 1.00Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H33 | sing | 1.09Å | 1.10Å | |
| C2 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 115.2° | 111.0° |
| C2 | N1 | H30 | 108.0° | 111.0° |
| N1 | C2 | H32 | 109.5° | 109.5° |
| N1 | C2 | H33 | 109.5° | 109.5° |
| N1 | C2 | H34 | 109.4° | 109.5° |
| N1 | C3 | C5 | 110.8° | 109.5° |
| N1 | C3 | C4 | 110.3° | 109.5° |
| N1 | C3 | H26 | 110.1° | 109.5° |
| C3 | N1 | H30 | 108.0° | 111.0° |
| O8 | C5 | C3 | 121.1° | 120.0° |
| O8 | C5 | N6 | 124.6° | 120.0° |
| C5 | C3 | C4 | 108.5° | 109.4° |
| C3 | C5 | N6 | 113.7° | 120.0° |
| C5 | C3 | H26 | 108.8° | 109.5° |
| C4 | C3 | H26 | 108.3° | 109.5° |
| C3 | C4 | H27 | 109.5° | 109.4° |
| C3 | C4 | H28 | 109.5° | 109.4° |
| C3 | C4 | H29 | 109.5° | 109.4° |
| C5 | N6 | C7 | 122.1° | 120.0° |
| C5 | N6 | H25 | 118.9° | 120.0° |
| C20 | C19 | C21 | 119.6° | 120.2° |
| C19 | C20 | C18 | 121.1° | 120.2° |
| C20 | C19 | H13 | 120.2° | 119.9° |
| C19 | C20 | H14 | 119.5° | 119.9° |
| C19 | C21 | C12 | 120.7° | 119.8° |
| C19 | C21 | H12 | 119.6° | 120.1° |
| C21 | C19 | H13 | 120.2° | 119.9° |
| C20 | C18 | C11 | 118.0° | 120.0° |
| C18 | C20 | H14 | 119.5° | 119.9° |
| C20 | C18 | H15 | 121.0° | 120.0° |
| C21 | C12 | C11 | 118.8° | 120.1° |
| C21 | C12 | N13 | 121.5° | 120.6° |
| C12 | C21 | H12 | 119.7° | 120.1° |
| C23 | C22 | C9 | 109.5° | 109.1° |
| C22 | C23 | O24 | 117.2° | 109.4° |
| C23 | C22 | H16 | 109.5° | 109.5° |
| C23 | C22 | H17 | 109.5° | 109.6° |
| C22 | C23 | H18 | 107.5° | 109.5° |
| C22 | C23 | H19 | 107.5° | 109.5° |
| C22 | C9 | C7 | 106.6° | 109.2° |
| C22 | C9 | O10 | 108.9° | 109.4° |
| C22 | C9 | C26 | 113.3° | 108.9° |
| C9 | C22 | H16 | 109.4° | 109.5° |
| C9 | C22 | H17 | 109.4° | 109.5° |
| C18 | C11 | C12 | 121.7° | 119.7° |
| C18 | C11 | O10 | 114.2° | 120.5° |
| C11 | C18 | H15 | 121.0° | 120.1° |
| N6 | C7 | C9 | 116.1° | 109.4° |
| N6 | C7 | C16 | 110.4° | 109.1° |
| N6 | C7 | H24 | 105.9° | 109.3° |
| C7 | N6 | H25 | 118.9° | 120.0° |
| C23 | O24 | C25 | 112.1° | 114.0° |
| O24 | C23 | H18 | 107.5° | 109.4° |
| O24 | C23 | H19 | 107.5° | 109.5° |
| C9 | C7 | C16 | 112.7° | 110.4° |
| C7 | C9 | O10 | 109.0° | 110.4° |
| C7 | C9 | C26 | 112.5° | 109.5° |
| C9 | C7 | H24 | 104.9° | 109.4° |
| C7 | C16 | N13 | 121.0° | 119.7° |
| C7 | C16 | O17 | 118.6° | 120.1° |
| C16 | C7 | H24 | 106.0° | 109.3° |
| C11 | C12 | N13 | 119.7° | 119.3° |
| C12 | C11 | O10 | 124.0° | 119.8° |
| C12 | N13 | C16 | 119.6° | 119.3° |
| C12 | N13 | C14 | 119.1° | 120.4° |
| C11 | O10 | C9 | 118.2° | 117.3° |
| O10 | C9 | C26 | 106.6° | 109.5° |
| C9 | C26 | C25 | 109.1° | 109.2° |
| C9 | C26 | H22 | 109.5° | 109.5° |
| C9 | C26 | H23 | 109.6° | 109.6° |
| C29 | O28 | C27 | 120.9° | 117.0° |
| O28 | C29 | H1 | 109.5° | 109.5° |
| O28 | C29 | H2 | 109.5° | 109.5° |
| O28 | C29 | H3 | 109.4° | 109.5° |
| C16 | N13 | C14 | 121.3° | 120.3° |
| N13 | C16 | O17 | 120.4° | 120.1° |
| N13 | C14 | C15 | 112.0° | 109.5° |
| N13 | C14 | H10 | 108.8° | 109.5° |
| N13 | C14 | H11 | 108.8° | 109.4° |
| O28 | C27 | C15 | 116.6° | 119.6° |
| O28 | C27 | C30 | 123.9° | 119.6° |
| O24 | C25 | C26 | 105.0° | 109.5° |
| O24 | C25 | H20 | 110.6° | 109.4° |
| O24 | C25 | H21 | 110.6° | 109.5° |
| C14 | C15 | C27 | 120.2° | 120.2° |
| C14 | C15 | C33 | 120.2° | 120.2° |
| C15 | C14 | H10 | 108.8° | 109.5° |
| C15 | C14 | H11 | 108.8° | 109.5° |
| C26 | C25 | H20 | 110.6° | 109.4° |
| C26 | C25 | H21 | 110.6° | 109.5° |
| C25 | C26 | H22 | 109.6° | 109.4° |
| C25 | C26 | H23 | 109.5° | 109.5° |
| C15 | C27 | C30 | 119.6° | 120.7° |
| C27 | C15 | C33 | 119.6° | 119.5° |
| C27 | C30 | C31 | 120.9° | 120.9° |
| C27 | C30 | H4 | 119.5° | 119.5° |
| C15 | C33 | C37 | 122.2° | 120.9° |
| C15 | C33 | C32 | 119.8° | 119.4° |
| C30 | C31 | C32 | 119.3° | 119.9° |
| C31 | C30 | H4 | 119.6° | 119.5° |
| C30 | C31 | H5 | 120.4° | 120.1° |
| C37 | C33 | C32 | 118.0° | 119.7° |
| C33 | C37 | C36 | 123.4° | 120.0° |
| C33 | C37 | H9 | 118.3° | 120.0° |
| C33 | C32 | C31 | 120.8° | 119.5° |
| C33 | C32 | C34 | 118.4° | 119.5° |
| C37 | C36 | C35 | 118.5° | 120.8° |
| C37 | C36 | H8 | 120.8° | 119.6° |
| C36 | C37 | H9 | 118.3° | 120.0° |
| C31 | C32 | C34 | 120.9° | 121.0° |
| C32 | C31 | H5 | 120.4° | 120.0° |
| C32 | C34 | C35 | 123.1° | 119.5° |
| C32 | C34 | H6 | 118.5° | 120.3° |
| C36 | C35 | C34 | 118.6° | 120.5° |
| C36 | C35 | C38 | 119.0° | 119.8° |
| C35 | C36 | H8 | 120.7° | 119.6° |
| C34 | C35 | C38 | 122.4° | 119.7° |
| C35 | C34 | H6 | 118.5° | 120.2° |
| C35 | C38 | O40 | 121.4° | 120.1° |
| C35 | C38 | O39 | 120.2° | 120.0° |
| O40 | C38 | O39 | 118.3° | 120.0° |
| C38 | O39 | H7 | 109.5° | 117.0° |
| H1 | C29 | H2 | 109.5° | 109.4° |
| H1 | C29 | H3 | 109.5° | 109.5° |
| H2 | C29 | H3 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.6° |
| H18 | C23 | H19 | 109.4° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.6° |
| H27 | C4 | H28 | 109.5° | 109.5° |
| H27 | C4 | H29 | 109.5° | 109.5° |
| H28 | C4 | H29 | 109.4° | 109.5° |
| H32 | C2 | H33 | 109.5° | 109.5° |
| H32 | C2 | H34 | 109.5° | 109.4° |
| H33 | C2 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | H30 | 120.9° | 124.0° |
| C2 | N1 | C3 | C5 | 65.3° | 155.0° |
| C2 | N1 | C3 | C4 | 174.6° | 85.0° |
| C2 | N1 | C3 | H26 | 55.1° | 35.0° |
| N1 | C2 | H32 | H33 | 120.1° | 120.0° |
| N1 | C2 | H32 | H34 | 120.0° | 120.1° |
| N1 | C2 | H33 | H34 | 120.0° | 120.1° |
| N1 | C3 | C5 | O8 | 28.8° | 0.1° |
| N1 | C3 | C5 | C4 | 121.2° | 120.0° |
| N1 | C3 | C5 | H26 | 121.2° | 120.0° |
| N1 | C3 | C4 | H26 | 120.6° | 120.0° |
| N1 | C3 | C5 | N6 | 159.7° | 180.0° |
| N1 | C3 | C4 | H27 | 180.0° | 60.0° |
| N1 | C3 | C4 | H28 | 60.0° | 60.0° |
| N1 | C3 | C4 | H29 | 60.0° | 180.0° |
| C3 | N1 | C2 | H32 | 180.0° | 60.0° |
| C3 | N1 | C2 | H33 | 60.0° | 60.0° |
| C3 | N1 | C2 | H34 | 60.0° | 180.0° |
| O8 | C5 | C3 | N6 | 171.5° | 179.9° |
| O8 | C5 | C3 | C4 | 92.4° | 120.1° |
| O8 | C5 | N6 | C7 | 1.8° | 0.0° |
| O8 | C5 | N6 | H25 | 178.2° | 180.0° |
| O8 | C5 | C3 | H26 | 150.0° | 120.0° |
| C5 | C3 | C4 | H26 | 117.9° | 120.0° |
| C3 | C5 | N6 | C7 | 169.3° | 180.0° |
| C3 | C5 | N6 | H25 | 10.7° | 0.1° |
| C5 | C3 | C4 | H27 | 58.5° | 180.0° |
| C5 | C3 | C4 | H28 | 178.5° | 60.0° |
| C5 | C3 | C4 | H29 | 61.6° | 60.0° |
| C5 | C3 | N1 | H30 | 173.9° | 81.0° |
| C4 | C3 | C5 | N6 | 79.1° | 60.0° |
| C3 | C4 | H27 | H28 | 120.0° | 120.0° |
| C3 | C4 | H27 | H29 | 120.0° | 120.0° |
| C3 | C4 | H28 | H29 | 120.0° | 119.9° |
| C4 | C3 | N1 | H30 | 53.7° | 39.0° |
| C5 | N6 | C7 | H25 | 180.0° | 180.0° |
| C5 | N6 | C7 | C9 | 144.0° | 155.0° |
| C5 | N6 | C7 | C16 | 86.2° | 84.1° |
| C5 | N6 | C7 | H24 | 28.1° | 35.3° |
| N6 | C5 | C3 | H26 | 38.5° | 60.0° |
| C20 | C19 | C21 | H13 | 180.0° | 179.9° |
| C19 | C20 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C21 | C12 | 0.7° | 0.0° |
| C19 | C20 | C18 | C11 | 2.9° | 0.1° |
| C20 | C19 | C21 | H12 | 179.3° | 180.0° |
| C19 | C20 | C18 | H15 | 177.1° | 179.9° |
| C21 | C19 | C20 | C18 | 1.2° | 0.1° |
| C19 | C21 | C12 | H12 | 180.0° | 180.0° |
| C19 | C21 | C12 | C11 | 0.8° | 0.1° |
| C19 | C21 | C12 | N13 | 177.8° | 179.7° |
| C21 | C19 | C20 | H14 | 178.8° | 179.9° |
| C20 | C18 | C11 | H15 | 180.0° | 180.0° |
| C20 | C18 | C11 | C12 | 2.8° | 0.0° |
| C20 | C18 | C11 | O10 | 179.9° | 179.7° |
| C18 | C20 | C19 | H13 | 178.8° | 180.0° |
| C21 | C12 | C11 | C18 | 1.0° | 0.1° |
| C21 | C12 | C11 | N13 | 178.6° | 179.8° |
| C21 | C12 | C11 | O10 | 178.0° | 179.6° |
| C21 | C12 | N13 | C16 | 136.9° | 131.5° |
| C21 | C12 | N13 | C14 | 44.7° | 48.3° |
| C12 | C21 | C19 | H13 | 179.3° | 179.9° |
| C23 | C22 | C9 | H16 | 120.0° | 119.8° |
| C23 | C22 | C9 | H17 | 120.0° | 120.0° |
| C22 | C23 | O24 | H18 | 121.1° | 120.0° |
| C22 | C23 | O24 | H19 | 121.1° | 120.0° |
| C23 | C22 | C9 | C7 | 163.0° | 176.6° |
| C23 | C22 | C9 | O10 | 79.6° | 62.5° |
| C23 | C22 | C9 | C26 | 38.8° | 57.1° |
| C22 | C23 | O24 | C25 | 57.6° | 61.2° |
| C23 | C22 | H16 | H17 | 120.0° | 120.2° |
| C22 | C23 | H18 | H19 | 116.5° | 120.1° |
| C22 | C9 | C7 | N6 | 69.6° | 163.5° |
| C9 | C22 | C23 | O24 | 39.8° | 57.8° |
| C22 | C9 | C7 | O10 | 117.3° | 120.3° |
| C22 | C9 | C7 | C26 | 124.7° | 119.1° |
| C22 | C9 | C7 | C16 | 161.7° | 76.5° |
| C22 | C9 | O10 | C11 | 76.3° | 164.0° |
| C22 | C9 | O10 | C26 | 122.5° | 119.2° |
| C22 | C9 | C26 | C25 | 53.6° | 57.0° |
| C9 | C22 | H16 | H17 | 119.9° | 120.1° |
| C9 | C22 | C23 | H18 | 81.3° | 62.1° |
| C9 | C22 | C23 | H19 | 160.9° | 177.8° |
| C22 | C9 | C26 | H22 | 66.4° | 62.8° |
| C22 | C9 | C26 | H23 | 173.5° | 177.0° |
| C22 | C9 | C7 | H24 | 46.9° | 43.8° |
| C18 | C11 | C12 | O10 | 176.9° | 179.7° |
| C18 | C11 | C12 | N13 | 179.6° | 179.6° |
| C18 | C11 | O10 | C9 | 109.5° | 104.5° |
| C11 | C18 | C20 | H14 | 177.1° | 180.0° |
| N6 | C7 | C9 | C16 | 128.7° | 120.0° |
| N6 | C7 | C9 | H24 | 116.4° | 119.7° |
| N6 | C7 | C16 | H24 | 114.2° | 119.4° |
| N6 | C7 | C9 | O10 | 173.1° | 76.2° |
| N6 | C7 | C9 | C26 | 55.1° | 44.4° |
| N6 | C7 | C16 | N13 | 152.5° | 46.1° |
| N6 | C7 | C16 | O17 | 28.6° | 133.9° |
| C23 | O24 | C25 | C26 | 67.7° | 61.1° |
| O24 | C23 | C22 | H16 | 80.2° | 177.7° |
| O24 | C23 | C22 | H17 | 159.8° | 62.1° |
| O24 | C23 | H18 | H19 | 116.5° | 120.0° |
| C23 | O24 | C25 | H20 | 51.6° | 58.9° |
| C23 | O24 | C25 | H21 | 173.0° | 178.9° |
| C9 | C7 | C16 | H24 | 114.2° | 120.3° |
| C7 | C9 | O10 | C11 | 39.6° | 43.8° |
| C7 | C9 | O10 | C26 | 121.6° | 120.6° |
| C9 | C7 | C16 | N13 | 75.9° | 74.1° |
| C9 | C7 | C16 | O17 | 103.0° | 105.9° |
| C7 | C9 | C26 | C25 | 174.5° | 176.3° |
| C7 | C9 | C22 | H16 | 43.0° | 63.5° |
| C7 | C9 | C22 | H17 | 77.0° | 56.7° |
| C7 | C9 | C26 | H22 | 54.5° | 56.5° |
| C7 | C9 | C26 | H23 | 65.5° | 63.7° |
| C9 | C7 | N6 | H25 | 36.1° | 25.0° |
| C7 | C16 | N13 | C12 | 7.8° | 3.3° |
| C16 | C7 | C9 | O10 | 44.4° | 43.8° |
| C16 | C7 | C9 | C26 | 73.6° | 164.4° |
| C7 | C16 | N13 | O17 | 178.9° | 180.0° |
| C7 | C16 | N13 | C14 | 173.9° | 176.5° |
| C16 | C7 | N6 | H25 | 93.8° | 95.9° |
| C12 | C11 | O10 | C9 | 73.3° | 75.2° |
| C11 | C12 | N13 | C16 | 41.6° | 48.7° |
| C11 | C12 | N13 | C14 | 136.8° | 131.5° |
| C11 | C12 | C21 | H12 | 179.2° | 179.9° |
| C12 | C11 | C18 | H15 | 177.2° | 180.0° |
| N13 | C12 | C11 | O10 | 3.4° | 0.6° |
| C12 | N13 | C16 | C14 | 178.4° | 179.8° |
| C12 | N13 | C16 | O17 | 171.2° | 176.7° |
| C12 | N13 | C14 | C15 | 47.4° | 93.6° |
| C12 | N13 | C14 | H10 | 167.8° | 146.4° |
| C12 | N13 | C14 | H11 | 72.9° | 26.4° |
| N13 | C12 | C21 | H12 | 2.2° | 0.4° |
| C11 | O10 | C9 | C26 | 161.2° | 76.7° |
| O10 | C11 | C18 | H15 | 0.1° | 0.3° |
| O10 | C9 | C26 | C25 | 66.1° | 62.6° |
| O10 | C9 | C22 | H16 | 160.4° | 57.4° |
| O10 | C9 | C22 | H17 | 40.4° | 177.6° |
| O10 | C9 | C26 | H22 | 173.9° | 177.6° |
| O10 | C9 | C26 | H23 | 53.8° | 57.4° |
| O10 | C9 | C7 | H24 | 70.5° | 164.1° |
| C9 | C26 | C25 | O24 | 66.1° | 57.6° |
| C9 | C26 | C25 | H22 | 119.9° | 119.9° |
| C9 | C26 | C25 | H23 | 120.0° | 120.0° |
| C26 | C9 | C22 | H16 | 81.2° | 177.0° |
| C26 | C9 | C22 | H17 | 158.8° | 62.8° |
| C9 | C26 | C25 | H20 | 53.2° | 62.4° |
| C9 | C26 | C25 | H21 | 174.6° | 177.6° |
| C9 | C26 | H22 | H23 | 120.2° | 120.2° |
| C26 | C9 | C7 | H24 | 171.6° | 75.3° |
| C29 | O28 | C27 | C15 | 172.2° | 180.0° |
| C29 | O28 | C27 | C30 | 8.0° | 0.3° |
| O28 | C29 | H1 | H2 | 120.0° | 120.0° |
| O28 | C29 | H1 | H3 | 120.0° | 120.1° |
| O28 | C29 | H2 | H3 | 120.0° | 120.1° |
| C16 | N13 | C14 | C15 | 130.9° | 86.7° |
| C16 | N13 | C14 | H10 | 10.5° | 33.4° |
| C16 | N13 | C14 | H11 | 108.7° | 153.4° |
| N13 | C16 | C7 | H24 | 38.3° | 165.5° |
| C14 | N13 | C16 | O17 | 7.2° | 3.5° |
| N13 | C14 | C15 | H10 | 120.4° | 120.0° |
| N13 | C14 | C15 | H11 | 120.4° | 119.9° |
| N13 | C14 | C15 | C27 | 110.5° | 96.0° |
| N13 | C14 | C15 | C33 | 72.0° | 84.2° |
| N13 | C14 | H10 | H11 | 118.8° | 119.9° |
| O17 | C16 | C7 | H24 | 142.8° | 14.5° |
| O28 | C27 | C15 | C14 | 1.3° | 0.0° |
| O28 | C27 | C15 | C30 | 179.8° | 179.8° |
| O28 | C27 | C15 | C33 | 178.8° | 179.7° |
| O28 | C27 | C30 | C31 | 178.3° | 180.0° |
| C27 | O28 | C29 | H1 | 180.0° | 60.0° |
| C27 | O28 | C29 | H2 | 60.0° | 60.0° |
| C27 | O28 | C29 | H3 | 60.0° | 180.0° |
| O28 | C27 | C30 | H4 | 1.7° | 0.0° |
| O24 | C25 | C26 | H20 | 119.3° | 120.0° |
| O24 | C25 | C26 | H21 | 119.3° | 120.0° |
| C25 | O24 | C23 | H18 | 63.5° | 58.8° |
| C25 | O24 | C23 | H19 | 178.7° | 178.8° |
| O24 | C25 | H20 | H21 | 122.1° | 120.0° |
| O24 | C25 | C26 | H22 | 53.8° | 62.3° |
| O24 | C25 | C26 | H23 | 173.9° | 177.6° |
| C14 | C15 | C27 | C33 | 177.5° | 179.8° |
| C14 | C15 | C27 | C30 | 178.9° | 179.7° |
| C14 | C15 | C33 | C37 | 2.4° | 0.0° |
| C14 | C15 | C33 | C32 | 178.4° | 179.7° |
| C15 | C14 | H10 | H11 | 118.8° | 120.1° |
| C26 | C25 | H20 | H21 | 122.1° | 120.1° |
| C25 | C26 | H22 | H23 | 120.1° | 120.1° |
| C15 | C27 | C30 | C31 | 1.9° | 0.3° |
| C27 | C15 | C33 | C37 | 179.9° | 179.7° |
| C27 | C15 | C33 | C32 | 0.9° | 0.5° |
| C15 | C27 | C30 | H4 | 178.1° | 179.7° |
| C27 | C15 | C14 | H10 | 129.1° | 24.0° |
| C27 | C15 | C14 | H11 | 9.9° | 144.1° |
| C30 | C27 | C15 | C33 | 1.4° | 0.5° |
| C27 | C30 | C31 | H4 | 180.0° | 180.0° |
| C27 | C30 | C31 | C32 | 1.9° | 0.0° |
| C27 | C30 | C31 | H5 | 178.2° | 180.0° |
| C15 | C33 | C37 | C32 | 179.3° | 179.8° |
| C15 | C33 | C37 | C36 | 178.8° | 179.7° |
| C15 | C33 | C32 | C31 | 0.8° | 0.3° |
| C15 | C33 | C32 | C34 | 179.8° | 179.7° |
| C15 | C33 | C37 | H9 | 1.2° | 0.2° |
| C33 | C15 | C14 | H10 | 48.4° | 155.8° |
| C33 | C15 | C14 | H11 | 167.6° | 35.7° |
| C30 | C31 | C32 | C33 | 1.3° | 0.0° |
| C30 | C31 | C32 | H5 | 180.0° | 180.0° |
| C30 | C31 | C32 | C34 | 179.7° | 180.0° |
| C33 | C37 | C36 | H9 | 180.0° | 179.9° |
| C37 | C33 | C32 | C31 | 179.8° | 180.0° |
| C37 | C33 | C32 | C34 | 0.9° | 0.0° |
| C33 | C37 | C36 | C35 | 2.7° | 0.1° |
| C33 | C37 | C36 | H8 | 177.3° | 179.9° |
| C32 | C33 | C37 | C36 | 1.9° | 0.1° |
| C33 | C32 | C31 | C34 | 179.0° | 180.0° |
| C33 | C32 | C34 | C35 | 0.7° | 0.0° |
| C33 | C32 | C31 | H5 | 178.7° | 180.0° |
| C33 | C32 | C34 | H6 | 179.3° | 180.0° |
| C32 | C33 | C37 | H9 | 178.1° | 179.9° |
| C37 | C36 | C35 | H8 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 2.4° | 0.1° |
| C37 | C36 | C35 | C38 | 178.0° | 180.0° |
| C31 | C32 | C34 | C35 | 179.7° | 180.0° |
| C32 | C31 | C30 | H4 | 178.1° | 180.0° |
| C31 | C32 | C34 | H6 | 0.3° | 0.0° |
| C32 | C34 | C35 | C36 | 1.4° | 0.1° |
| C32 | C34 | C35 | H6 | 180.0° | 179.9° |
| C32 | C34 | C35 | C38 | 178.9° | 180.0° |
| C34 | C32 | C31 | H5 | 0.3° | 0.0° |
| C36 | C35 | C34 | C38 | 179.7° | 179.9° |
| C36 | C35 | C38 | O40 | 12.9° | 180.0° |
| C36 | C35 | C38 | O39 | 168.5° | 0.0° |
| C36 | C35 | C34 | H6 | 178.6° | 180.0° |
| C35 | C36 | C37 | H9 | 177.3° | 180.0° |
| C34 | C35 | C38 | O40 | 166.7° | 0.1° |
| C34 | C35 | C38 | O39 | 11.8° | 179.9° |
| C34 | C35 | C36 | H8 | 177.7° | 179.9° |
| C35 | C38 | O40 | O39 | 178.6° | 180.0° |
| C38 | C35 | C34 | H6 | 1.1° | 0.1° |
| C35 | C38 | O39 | H7 | 178.6° | 179.9° |
| C38 | C35 | C36 | H8 | 2.0° | 0.0° |
| O40 | C38 | O39 | H7 | 0.0° | 0.1° |
| H1 | C29 | H2 | H3 | 120.0° | 120.0° |
| H4 | C30 | C31 | H5 | 1.8° | 0.0° |
| H8 | C36 | C37 | H9 | 2.7° | 0.1° |
| H12 | C21 | C19 | H13 | 0.7° | 0.1° |
| H13 | C19 | C20 | H14 | 1.2° | 0.0° |
| H14 | C20 | C18 | H15 | 2.9° | 0.0° |
| H16 | C22 | C23 | H18 | 158.7° | 57.7° |
| H16 | C22 | C23 | H19 | 40.9° | 62.3° |
| H17 | C22 | C23 | H18 | 38.6° | 178.0° |
| H17 | C22 | C23 | H19 | 79.1° | 57.9° |
| H20 | C25 | C26 | H22 | 173.1° | 177.8° |
| H20 | C25 | C26 | H23 | 66.8° | 57.7° |
| H21 | C25 | C26 | H22 | 65.5° | 57.8° |
| H21 | C25 | C26 | H23 | 54.6° | 62.4° |
| H24 | C7 | N6 | H25 | 152.0° | 144.7° |
| H26 | C3 | C4 | H27 | 59.4° | 60.0° |
| H26 | C3 | C4 | H28 | 60.6° | 179.9° |
| H26 | C3 | C4 | H29 | 179.5° | 60.0° |
| H26 | C3 | N1 | H30 | 65.7° | 159.0° |
| H27 | C4 | H28 | H29 | 120.0° | 120.1° |
| H30 | N1 | C2 | H32 | 59.2° | 64.0° |
| H30 | N1 | C2 | H33 | 60.9° | 176.0° |
| H30 | N1 | C2 | H34 | 179.1° | 56.0° |
| H32 | C2 | H33 | H34 | 120.0° | 119.9° |
