R31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O17 | sing | 1.43Å | 1.41Å | |
| O17 | C16 | sing | 1.43Å | 1.41Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O13 | sing | 1.43Å | 1.40Å | |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| O13 | C8 | sing | 1.36Å | 1.34Å | |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | N5 | sing | 1.40Å | 1.38Å | |
| C4 | N5 | sing | 1.46Å | 1.49Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| N5 | C6 | sing | 1.33Å | 1.39Å | |
| C3 | N2 | sing | 1.47Å | 1.43Å | |
| C6 | O39 | doub | 1.21Å | 1.22Å | |
| C6 | C1 | sing | 1.50Å | 1.55Å | |
| N2 | C1 | sing | 1.47Å | 1.45Å | |
| N2 | C19 | sing | 1.47Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| N22 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| O24 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C23 | sing | 1.53Å | 1.55Å | |
| C23 | C25 | sing | 1.53Å | 1.56Å | |
| C38 | C29 | sing | 1.53Å | 1.54Å | |
| C25 | C29 | sing | 1.53Å | 1.58Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C29 | C37 | sing | 1.53Å | 1.57Å | |
| C26 | N27 | sing | 1.35Å | 1.34Å | |
| C26 | O28 | doub | 1.21Å | 1.24Å | |
| N27 | C30 | sing | 1.47Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| N33 | C32 | sing | 1.35Å | 1.36Å | |
| C31 | C32 | sing | 1.51Å | 1.56Å | |
| C31 | C35 | sing | 1.53Å | 1.56Å | |
| C31 | C34 | sing | 1.53Å | 1.56Å | |
| C32 | O36 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| N22 | H25 | sing | 1.01Å | 1.00Å | |
| N22 | H26 | sing | 1.01Å | 1.00Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| O24 | H30 | sing | 0.97Å | 0.95Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| N27 | H32 | sing | 0.97Å | 1.00Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| N33 | H36 | sing | 0.97Å | 1.00Å | |
| N33 | H37 | sing | 0.97Å | 1.00Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C35 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O17 | C16 | 109.2° | 114.0° |
| O17 | C18 | H18 | 109.5° | 109.5° |
| O17 | C18 | H19 | 109.5° | 109.5° |
| O17 | C18 | H20 | 109.5° | 109.4° |
| O17 | C16 | C15 | 110.0° | 109.5° |
| O17 | C16 | H16 | 109.4° | 109.5° |
| O17 | C16 | H17 | 109.4° | 109.5° |
| C16 | C15 | C14 | 108.5° | 109.5° |
| C16 | C15 | H14 | 109.7° | 109.5° |
| C16 | C15 | H15 | 109.7° | 109.4° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H17 | 109.3° | 109.4° |
| C15 | C14 | O13 | 110.6° | 109.5° |
| C15 | C14 | H12 | 109.2° | 109.5° |
| C15 | C14 | H13 | 109.2° | 109.5° |
| C14 | C15 | H14 | 109.7° | 109.5° |
| C14 | C15 | H15 | 109.7° | 109.5° |
| C14 | O13 | C8 | 129.3° | 117.0° |
| O13 | C14 | H12 | 109.2° | 109.5° |
| O13 | C14 | H13 | 109.2° | 109.5° |
| C10 | C9 | C8 | 119.1° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.2° |
| C10 | C9 | H8 | 120.5° | 120.0° |
| C9 | C10 | H9 | 119.9° | 119.9° |
| C9 | C8 | O13 | 118.7° | 120.1° |
| C9 | C8 | C7 | 120.1° | 119.8° |
| C8 | C9 | H8 | 120.4° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.2° |
| C11 | C10 | H9 | 119.9° | 119.9° |
| C10 | C11 | H10 | 120.3° | 119.9° |
| O13 | C8 | C7 | 121.3° | 120.1° |
| C8 | C7 | C12 | 120.1° | 119.8° |
| C8 | C7 | N5 | 119.8° | 120.0° |
| C11 | C12 | C7 | 120.3° | 120.0° |
| C12 | C11 | H10 | 120.2° | 119.9° |
| C11 | C12 | H11 | 119.8° | 120.0° |
| C12 | C7 | N5 | 120.1° | 120.1° |
| C7 | C12 | H11 | 119.9° | 120.0° |
| C7 | N5 | C4 | 120.1° | 118.5° |
| C7 | N5 | C6 | 120.3° | 118.6° |
| N5 | C4 | C3 | 111.5° | 110.0° |
| C4 | N5 | C6 | 119.6° | 122.9° |
| N5 | C4 | H6 | 108.9° | 109.4° |
| N5 | C4 | H7 | 108.9° | 109.3° |
| C4 | C3 | N2 | 112.1° | 108.7° |
| C4 | C3 | H4 | 108.8° | 109.6° |
| C4 | C3 | H5 | 108.8° | 109.8° |
| C3 | C4 | H6 | 108.9° | 109.4° |
| C3 | C4 | H7 | 109.0° | 109.4° |
| N5 | C6 | O39 | 122.4° | 118.6° |
| N5 | C6 | C1 | 121.2° | 122.9° |
| C3 | N2 | C1 | 117.8° | 110.2° |
| C3 | N2 | C19 | 118.8° | 111.0° |
| N2 | C3 | H4 | 108.8° | 109.6° |
| N2 | C3 | H5 | 108.8° | 109.6° |
| O39 | C6 | C1 | 116.3° | 118.5° |
| C6 | C1 | N2 | 113.0° | 109.9° |
| C6 | C1 | H1 | 108.5° | 109.4° |
| C6 | C1 | H2 | 108.5° | 109.4° |
| C1 | N2 | C19 | 119.1° | 111.0° |
| N2 | C1 | H1 | 108.6° | 109.4° |
| N2 | C1 | H2 | 108.6° | 109.4° |
| N2 | C19 | C20 | 115.4° | 109.5° |
| N2 | C19 | H21 | 108.0° | 109.5° |
| N2 | C19 | H22 | 108.0° | 109.5° |
| C19 | C20 | N22 | 107.8° | 109.5° |
| C19 | C20 | C21 | 111.4° | 109.5° |
| C20 | C19 | H21 | 108.0° | 109.5° |
| C20 | C19 | H22 | 108.0° | 109.5° |
| C19 | C20 | H23 | 108.9° | 109.5° |
| N22 | C20 | C21 | 110.0° | 109.5° |
| N22 | C20 | H23 | 110.0° | 109.4° |
| C20 | N22 | H25 | 109.5° | 111.0° |
| C20 | N22 | H26 | 109.4° | 111.0° |
| C20 | C21 | O24 | 109.2° | 109.5° |
| C20 | C21 | C23 | 115.0° | 109.5° |
| C21 | C20 | H23 | 108.8° | 109.5° |
| C20 | C21 | H24 | 107.4° | 109.5° |
| O24 | C21 | C23 | 108.5° | 109.5° |
| O24 | C21 | H24 | 109.2° | 109.4° |
| C21 | O24 | H30 | 109.5° | 114.0° |
| C21 | C23 | C25 | 122.2° | 109.5° |
| C23 | C21 | H24 | 107.5° | 109.5° |
| C21 | C23 | H28 | 106.2° | 109.5° |
| C21 | C23 | H29 | 106.2° | 109.4° |
| C23 | C25 | C29 | 114.1° | 109.5° |
| C23 | C25 | C26 | 109.6° | 109.5° |
| C25 | C23 | H28 | 106.2° | 109.5° |
| C25 | C23 | H29 | 106.2° | 109.4° |
| C23 | C25 | H31 | 106.4° | 109.5° |
| C38 | C29 | C25 | 118.2° | 109.5° |
| C38 | C29 | C37 | 109.4° | 109.4° |
| C38 | C29 | H33 | 104.6° | 109.4° |
| C29 | C38 | H47 | 109.5° | 109.4° |
| C29 | C38 | H48 | 109.4° | 109.5° |
| C29 | C38 | H49 | 109.4° | 109.5° |
| C29 | C25 | C26 | 113.4° | 109.5° |
| C25 | C29 | C37 | 114.2° | 109.5° |
| C29 | C25 | H31 | 106.2° | 109.5° |
| C25 | C29 | H33 | 104.3° | 109.5° |
| C25 | C26 | N27 | 122.0° | 120.0° |
| C25 | C26 | O28 | 119.3° | 120.0° |
| C26 | C25 | H31 | 106.6° | 109.5° |
| C37 | C29 | H33 | 104.4° | 109.5° |
| C29 | C37 | H44 | 109.5° | 109.5° |
| C29 | C37 | H45 | 109.5° | 109.5° |
| C29 | C37 | H46 | 109.4° | 109.5° |
| N27 | C26 | O28 | 118.7° | 120.0° |
| C26 | N27 | C30 | 123.6° | 120.0° |
| C26 | N27 | H32 | 118.2° | 120.0° |
| N27 | C30 | C31 | 117.0° | 109.4° |
| C30 | N27 | H32 | 118.2° | 120.0° |
| N27 | C30 | H34 | 107.5° | 109.4° |
| N27 | C30 | H35 | 107.6° | 109.4° |
| C30 | C31 | C32 | 106.4° | 109.4° |
| C30 | C31 | C35 | 111.6° | 109.5° |
| C30 | C31 | C34 | 111.0° | 109.5° |
| C31 | C30 | H34 | 107.6° | 109.5° |
| C31 | C30 | H35 | 107.5° | 109.5° |
| N33 | C32 | C31 | 118.5° | 120.0° |
| N33 | C32 | O36 | 120.7° | 120.0° |
| C32 | N33 | H36 | 120.0° | 120.0° |
| C32 | N33 | H37 | 120.0° | 120.0° |
| C32 | C31 | C35 | 107.4° | 109.5° |
| C32 | C31 | C34 | 109.7° | 109.5° |
| C31 | C32 | O36 | 120.8° | 120.0° |
| C35 | C31 | C34 | 110.5° | 109.5° |
| C31 | C35 | H41 | 109.5° | 109.5° |
| C31 | C35 | H42 | 109.5° | 109.5° |
| C31 | C35 | H43 | 109.5° | 109.5° |
| C31 | C34 | H38 | 109.5° | 109.5° |
| C31 | C34 | H39 | 109.5° | 109.5° |
| C31 | C34 | H40 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.3° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.2° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.4° | 109.5° |
| H18 | C18 | H19 | 109.4° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.4° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H25 | N22 | H26 | 109.5° | 111.0° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H36 | N33 | H37 | 120.0° | 120.0° |
| H38 | C34 | H39 | 109.4° | 109.5° |
| H38 | C34 | H40 | 109.5° | 109.4° |
| H39 | C34 | H40 | 109.5° | 109.4° |
| H41 | C35 | H42 | 109.5° | 109.4° |
| H41 | C35 | H43 | 109.5° | 109.5° |
| H42 | C35 | H43 | 109.4° | 109.4° |
| H44 | C37 | H45 | 109.5° | 109.4° |
| H44 | C37 | H46 | 109.4° | 109.4° |
| H45 | C37 | H46 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.4° |
| H47 | C38 | H49 | 109.4° | 109.4° |
| H48 | C38 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | O17 | C16 | C15 | 142.8° | 180.0° |
| C18 | O17 | C16 | H16 | 22.7° | 60.0° |
| C18 | O17 | C16 | H17 | 97.1° | 60.0° |
| O17 | C18 | H18 | H19 | 120.0° | 120.0° |
| O17 | C18 | H18 | H20 | 120.1° | 119.9° |
| O17 | C18 | H19 | H20 | 120.0° | 119.9° |
| O17 | C16 | C15 | H16 | 120.1° | 120.0° |
| O17 | C16 | C15 | H17 | 120.1° | 120.0° |
| O17 | C16 | C15 | C14 | 96.9° | 180.0° |
| O17 | C16 | C15 | H14 | 22.9° | 59.9° |
| O17 | C16 | C15 | H15 | 143.2° | 60.0° |
| O17 | C16 | H16 | H17 | 119.8° | 120.0° |
| C16 | O17 | C18 | H18 | 180.0° | 180.0° |
| C16 | O17 | C18 | H19 | 60.0° | 60.0° |
| C16 | O17 | C18 | H20 | 60.0° | 60.0° |
| C16 | C15 | C14 | H14 | 119.8° | 120.0° |
| C16 | C15 | C14 | H15 | 119.9° | 120.0° |
| C16 | C15 | C14 | O13 | 173.7° | 180.0° |
| C16 | C15 | C14 | H12 | 53.5° | 60.0° |
| C16 | C15 | C14 | H13 | 66.1° | 60.0° |
| C16 | C15 | H14 | H15 | 120.5° | 119.9° |
| C15 | C16 | H16 | H17 | 119.7° | 120.0° |
| C15 | C14 | O13 | H12 | 120.2° | 120.0° |
| C15 | C14 | O13 | H13 | 120.1° | 120.0° |
| C15 | C14 | O13 | C8 | 149.0° | 180.0° |
| C15 | C14 | H12 | H13 | 119.5° | 120.0° |
| C14 | C15 | H14 | H15 | 120.4° | 120.0° |
| C14 | C15 | C16 | H16 | 143.0° | 60.0° |
| C14 | C15 | C16 | H17 | 23.2° | 60.0° |
| C14 | O13 | C8 | C9 | 55.9° | 0.0° |
| C14 | O13 | C8 | C7 | 124.8° | 180.0° |
| O13 | C14 | H12 | H13 | 119.5° | 120.0° |
| O13 | C14 | C15 | H14 | 66.4° | 60.0° |
| O13 | C14 | C15 | H15 | 53.8° | 60.0° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | O13 | 172.8° | 179.9° |
| C10 | C9 | C8 | C7 | 6.6° | 0.0° |
| C9 | C10 | C11 | C12 | 1.7° | 0.3° |
| C9 | C10 | C11 | H10 | 178.3° | 180.0° |
| C8 | C9 | C10 | C11 | 8.4° | 0.0° |
| C9 | C8 | O13 | C7 | 179.4° | 180.0° |
| C9 | C8 | C7 | C12 | 1.9° | 0.3° |
| C9 | C8 | C7 | N5 | 177.7° | 180.0° |
| C8 | C9 | C10 | H9 | 171.6° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 179.8° |
| C10 | C11 | C12 | C7 | 6.9° | 0.6° |
| C11 | C10 | C9 | H8 | 171.6° | 180.0° |
| C10 | C11 | C12 | H11 | 173.1° | 180.0° |
| O13 | C8 | C7 | C12 | 178.8° | 179.7° |
| O13 | C8 | C7 | N5 | 1.7° | 0.0° |
| O13 | C8 | C9 | H8 | 7.2° | 0.0° |
| C8 | O13 | C14 | H12 | 90.9° | 60.0° |
| C8 | O13 | C14 | H13 | 28.8° | 60.0° |
| C8 | C7 | C12 | C11 | 8.7° | 0.6° |
| C8 | C7 | C12 | N5 | 179.5° | 179.7° |
| C8 | C7 | N5 | C4 | 75.7° | 90.0° |
| C8 | C7 | N5 | C6 | 103.6° | 90.0° |
| C7 | C8 | C9 | H8 | 173.4° | 180.0° |
| C8 | C7 | C12 | H11 | 171.3° | 180.0° |
| C11 | C12 | C7 | H11 | 180.0° | 179.4° |
| C11 | C12 | C7 | N5 | 170.8° | 179.7° |
| C12 | C11 | C10 | H9 | 178.3° | 179.7° |
| C12 | C7 | N5 | C4 | 104.8° | 89.7° |
| C12 | C7 | N5 | C6 | 75.9° | 90.2° |
| C7 | C12 | C11 | H10 | 173.1° | 179.7° |
| C7 | N5 | C4 | C6 | 179.3° | 179.9° |
| C7 | N5 | C4 | C3 | 147.5° | 161.8° |
| C7 | N5 | C6 | O39 | 16.5° | 1.8° |
| C7 | N5 | C6 | C1 | 162.0° | 178.3° |
| C7 | N5 | C4 | H6 | 27.2° | 78.0° |
| C7 | N5 | C4 | H7 | 92.2° | 41.6° |
| N5 | C7 | C12 | H11 | 9.2° | 0.3° |
| N5 | C4 | C3 | H6 | 120.3° | 120.2° |
| N5 | C4 | C3 | H7 | 120.3° | 120.2° |
| N5 | C4 | C3 | N2 | 49.4° | 50.3° |
| C4 | N5 | C6 | O39 | 162.8° | 178.3° |
| C4 | N5 | C6 | C1 | 18.7° | 1.7° |
| N5 | C4 | C3 | H4 | 71.0° | 170.1° |
| N5 | C4 | C3 | H5 | 169.8° | 69.6° |
| N5 | C4 | H6 | H7 | 119.0° | 119.6° |
| C3 | C4 | N5 | C6 | 33.2° | 18.1° |
| C4 | C3 | N2 | H4 | 120.4° | 119.8° |
| C4 | C3 | N2 | H5 | 120.4° | 120.0° |
| C4 | C3 | N2 | C1 | 53.6° | 69.0° |
| C4 | C3 | N2 | C19 | 149.8° | 167.6° |
| C4 | C3 | H4 | H5 | 118.8° | 120.5° |
| C3 | C4 | H6 | H7 | 119.1° | 119.8° |
| N5 | C6 | O39 | C1 | 178.6° | 179.9° |
| N5 | C6 | C1 | N2 | 18.3° | 17.2° |
| N5 | C6 | C1 | H1 | 138.8° | 103.0° |
| N5 | C6 | C1 | H2 | 102.3° | 137.3° |
| C6 | N5 | C4 | H6 | 153.5° | 102.1° |
| C6 | N5 | C4 | H7 | 87.1° | 138.4° |
| C3 | N2 | C1 | C6 | 36.7° | 50.3° |
| C3 | N2 | C1 | C19 | 156.5° | 123.3° |
| C3 | N2 | C19 | C20 | 144.6° | 171.1° |
| C3 | N2 | C1 | H1 | 157.2° | 69.9° |
| C3 | N2 | C1 | H2 | 83.8° | 170.4° |
| N2 | C3 | H4 | H5 | 118.8° | 120.3° |
| N2 | C3 | C4 | H6 | 169.7° | 69.9° |
| N2 | C3 | C4 | H7 | 70.9° | 170.5° |
| C3 | N2 | C19 | H21 | 94.6° | 68.9° |
| C3 | N2 | C19 | H22 | 23.7° | 51.1° |
| O39 | C6 | C1 | N2 | 163.1° | 162.7° |
| O39 | C6 | C1 | H1 | 42.6° | 77.1° |
| O39 | C6 | C1 | H2 | 76.3° | 42.7° |
| C6 | C1 | N2 | H1 | 120.5° | 120.2° |
| C6 | C1 | N2 | H2 | 120.5° | 120.1° |
| C6 | C1 | N2 | C19 | 166.9° | 173.6° |
| C6 | C1 | H1 | H2 | 118.3° | 119.8° |
| C1 | N2 | C19 | C20 | 59.2° | 66.1° |
| N2 | C1 | H1 | H2 | 118.4° | 119.8° |
| C1 | N2 | C3 | H4 | 66.8° | 171.2° |
| C1 | N2 | C3 | H5 | 174.0° | 51.0° |
| C1 | N2 | C19 | H21 | 61.7° | 53.9° |
| C1 | N2 | C19 | H22 | 179.9° | 173.9° |
| N2 | C19 | C20 | H21 | 120.9° | 120.0° |
| N2 | C19 | C20 | H22 | 120.9° | 120.0° |
| N2 | C19 | C20 | N22 | 87.2° | 55.0° |
| N2 | C19 | C20 | C21 | 152.0° | 175.0° |
| C19 | N2 | C1 | H1 | 46.3° | 53.4° |
| C19 | N2 | C1 | H2 | 72.6° | 66.3° |
| C19 | N2 | C3 | H4 | 89.8° | 47.9° |
| C19 | N2 | C3 | H5 | 29.4° | 72.4° |
| N2 | C19 | H21 | H22 | 117.3° | 120.0° |
| N2 | C19 | C20 | H23 | 32.0° | 65.0° |
| C19 | C20 | N22 | C21 | 121.6° | 120.0° |
| C19 | C20 | N22 | H23 | 118.6° | 120.0° |
| C19 | C20 | C21 | H23 | 120.1° | 120.0° |
| C19 | C20 | C21 | O24 | 72.6° | 60.0° |
| C19 | C20 | C21 | C23 | 165.3° | 180.0° |
| C20 | C19 | H21 | H22 | 117.3° | 120.0° |
| C19 | C20 | C21 | H24 | 45.7° | 60.0° |
| C19 | C20 | N22 | H25 | 180.0° | 176.0° |
| C19 | C20 | N22 | H26 | 60.0° | 60.1° |
| N22 | C20 | C21 | H23 | 120.5° | 120.0° |
| N22 | C20 | C21 | O24 | 46.9° | 60.0° |
| N22 | C20 | C21 | C23 | 75.3° | 60.0° |
| N22 | C20 | C19 | H21 | 151.9° | 175.0° |
| N22 | C20 | C19 | H22 | 33.6° | 65.0° |
| N22 | C20 | C21 | H24 | 165.1° | 180.0° |
| C20 | N22 | H25 | H26 | 120.0° | 123.9° |
| C20 | C21 | O24 | C23 | 126.0° | 120.0° |
| C20 | C21 | O24 | H24 | 117.1° | 120.0° |
| C20 | C21 | C23 | H24 | 119.5° | 120.0° |
| C20 | C21 | C23 | C25 | 167.5° | 173.3° |
| C21 | C20 | C19 | H21 | 31.1° | 65.0° |
| C21 | C20 | C19 | H22 | 87.1° | 55.0° |
| C21 | C20 | N22 | H25 | 58.4° | 63.9° |
| C21 | C20 | N22 | H26 | 61.6° | 60.0° |
| C20 | C21 | C23 | H28 | 45.7° | 66.7° |
| C20 | C21 | C23 | H29 | 70.7° | 53.3° |
| C20 | C21 | O24 | H30 | 180.0° | 65.0° |
| O24 | C21 | C23 | H24 | 118.0° | 119.9° |
| O24 | C21 | C23 | C25 | 45.0° | 66.7° |
| O24 | C21 | C20 | H23 | 167.3° | 180.0° |
| O24 | C21 | C23 | H28 | 76.8° | 53.3° |
| O24 | C21 | C23 | H29 | 166.7° | 173.3° |
| C21 | C23 | C25 | H28 | 121.8° | 120.0° |
| C21 | C23 | C25 | H29 | 121.8° | 120.0° |
| C21 | C23 | C25 | C29 | 170.1° | 67.0° |
| C21 | C23 | C25 | C26 | 61.4° | 173.0° |
| C23 | C21 | C20 | H23 | 45.2° | 60.0° |
| C21 | C23 | H28 | H29 | 114.3° | 120.0° |
| C23 | C21 | O24 | H30 | 54.0° | 55.1° |
| C21 | C23 | C25 | H31 | 53.4° | 53.0° |
| C23 | C25 | C29 | C38 | 46.4° | 179.7° |
| C23 | C25 | C29 | C26 | 126.4° | 120.0° |
| C23 | C25 | C29 | H31 | 116.9° | 120.0° |
| C23 | C25 | C26 | H31 | 114.8° | 120.0° |
| C23 | C25 | C29 | C37 | 177.3° | 59.7° |
| C23 | C25 | C26 | N27 | 108.9° | 168.9° |
| C23 | C25 | C26 | O28 | 70.4° | 11.1° |
| C25 | C23 | C21 | H24 | 73.0° | 53.2° |
| C25 | C23 | H28 | H29 | 114.3° | 120.0° |
| C23 | C25 | C29 | H33 | 69.3° | 60.3° |
| C38 | C29 | C25 | C37 | 130.9° | 120.0° |
| C38 | C29 | C25 | H33 | 115.7° | 120.0° |
| C38 | C29 | C25 | C26 | 172.8° | 59.7° |
| C38 | C29 | C37 | H33 | 111.6° | 119.9° |
| C38 | C29 | C25 | H31 | 70.5° | 60.3° |
| C38 | C29 | C37 | H44 | 180.0° | 55.4° |
| C38 | C29 | C37 | H45 | 60.0° | 64.6° |
| C38 | C29 | C37 | H46 | 60.0° | 175.4° |
| C29 | C38 | H47 | H48 | 120.0° | 120.0° |
| C29 | C38 | H47 | H49 | 120.0° | 120.0° |
| C29 | C38 | H48 | H49 | 120.0° | 120.1° |
| C29 | C25 | C26 | H31 | 116.5° | 120.0° |
| C25 | C29 | C37 | H33 | 113.3° | 120.0° |
| C29 | C25 | C26 | N27 | 122.3° | 71.1° |
| C29 | C25 | C26 | O28 | 58.4° | 108.9° |
| C29 | C25 | C23 | H28 | 48.4° | 53.1° |
| C29 | C25 | C23 | H29 | 68.1° | 173.1° |
| C25 | C29 | C37 | H44 | 44.9° | 64.6° |
| C25 | C29 | C37 | H45 | 75.1° | 175.4° |
| C25 | C29 | C37 | H46 | 164.9° | 55.3° |
| C25 | C29 | C38 | H47 | 180.0° | 57.5° |
| C25 | C29 | C38 | H48 | 60.0° | 177.5° |
| C25 | C29 | C38 | H49 | 60.0° | 62.5° |
| C26 | C25 | C29 | C37 | 56.3° | 60.3° |
| C25 | C26 | N27 | O28 | 179.2° | 180.0° |
| C25 | C26 | N27 | C30 | 159.2° | 174.7° |
| C26 | C25 | C23 | H28 | 176.8° | 67.0° |
| C26 | C25 | C23 | H29 | 60.3° | 53.1° |
| C25 | C26 | N27 | H32 | 20.8° | 5.3° |
| C26 | C25 | C29 | H33 | 57.1° | 179.7° |
| C37 | C29 | C25 | H31 | 60.4° | 179.7° |
| C29 | C37 | H44 | H45 | 120.0° | 120.1° |
| C29 | C37 | H44 | H46 | 120.0° | 120.0° |
| C29 | C37 | H45 | H46 | 120.0° | 120.1° |
| C37 | C29 | C38 | H47 | 46.9° | 177.5° |
| C37 | C29 | C38 | H48 | 73.1° | 62.5° |
| C37 | C29 | C38 | H49 | 166.9° | 57.6° |
| C26 | N27 | C30 | H32 | 180.0° | 180.0° |
| C26 | N27 | C30 | C31 | 115.9° | 180.0° |
| N27 | C26 | C25 | H31 | 5.9° | 48.9° |
| C26 | N27 | C30 | H34 | 5.2° | 60.0° |
| C26 | N27 | C30 | H35 | 123.0° | 60.0° |
| O28 | C26 | N27 | C30 | 20.0° | 5.3° |
| O28 | C26 | C25 | H31 | 174.9° | 131.1° |
| O28 | C26 | N27 | H32 | 160.0° | 174.7° |
| N27 | C30 | C31 | H34 | 121.1° | 119.9° |
| N27 | C30 | C31 | H35 | 121.1° | 120.0° |
| N27 | C30 | C31 | C32 | 43.6° | 180.0° |
| N27 | C30 | C31 | C35 | 160.4° | 60.0° |
| N27 | C30 | C31 | C34 | 75.8° | 60.0° |
| N27 | C30 | H34 | H35 | 116.6° | 120.0° |
| C30 | C31 | C32 | N33 | 69.3° | 180.0° |
| C30 | C31 | C32 | C35 | 119.7° | 120.0° |
| C30 | C31 | C32 | C34 | 120.2° | 120.0° |
| C30 | C31 | C35 | C34 | 124.1° | 120.0° |
| C30 | C31 | C32 | O36 | 109.4° | 0.0° |
| C31 | C30 | N27 | H32 | 64.1° | 0.0° |
| C31 | C30 | H34 | H35 | 116.6° | 120.1° |
| C30 | C31 | C34 | H38 | 180.0° | 60.1° |
| C30 | C31 | C34 | H39 | 60.0° | 180.0° |
| C30 | C31 | C34 | H40 | 60.0° | 59.9° |
| C30 | C31 | C35 | H41 | 180.0° | 60.0° |
| C30 | C31 | C35 | H42 | 60.0° | 180.0° |
| C30 | C31 | C35 | H43 | 60.0° | 60.1° |
| N33 | C32 | C31 | O36 | 178.7° | 179.9° |
| N33 | C32 | C31 | C35 | 50.4° | 60.1° |
| N33 | C32 | C31 | C34 | 170.6° | 60.0° |
| C32 | N33 | H36 | H37 | 179.9° | 180.0° |
| C32 | C31 | C35 | C34 | 119.7° | 120.0° |
| C32 | C31 | C30 | H34 | 164.6° | 60.0° |
| C32 | C31 | C30 | H35 | 77.5° | 60.1° |
| C31 | C32 | N33 | H36 | 178.7° | 0.1° |
| C31 | C32 | N33 | H37 | 1.4° | 180.0° |
| C32 | C31 | C34 | H38 | 62.7° | 180.0° |
| C32 | C31 | C34 | H39 | 57.3° | 60.0° |
| C32 | C31 | C34 | H40 | 177.3° | 60.0° |
| C32 | C31 | C35 | H41 | 63.8° | 59.9° |
| C32 | C31 | C35 | H42 | 176.2° | 60.0° |
| C32 | C31 | C35 | H43 | 56.2° | 180.0° |
| C35 | C31 | C32 | O36 | 130.9° | 120.0° |
| C35 | C31 | C30 | H34 | 78.5° | 59.9° |
| C35 | C31 | C30 | H35 | 39.4° | 180.0° |
| C35 | C31 | C34 | H38 | 55.6° | 60.0° |
| C35 | C31 | C34 | H39 | 175.6° | 60.0° |
| C35 | C31 | C34 | H40 | 64.4° | 180.0° |
| C31 | C35 | H41 | H42 | 120.0° | 120.0° |
| C31 | C35 | H41 | H43 | 120.0° | 120.1° |
| C31 | C35 | H42 | H43 | 120.0° | 120.0° |
| C34 | C31 | C32 | O36 | 10.8° | 119.9° |
| C34 | C31 | C30 | H34 | 45.3° | 180.0° |
| C34 | C31 | C30 | H35 | 163.1° | 59.9° |
| C31 | C34 | H38 | H39 | 120.0° | 120.0° |
| C31 | C34 | H38 | H40 | 120.0° | 120.0° |
| C31 | C34 | H39 | H40 | 120.0° | 120.1° |
| C34 | C31 | C35 | H41 | 55.9° | 180.0° |
| C34 | C31 | C35 | H42 | 64.1° | 60.0° |
| C34 | C31 | C35 | H43 | 175.9° | 60.0° |
| O36 | C32 | N33 | H36 | 0.0° | 180.0° |
| O36 | C32 | N33 | H37 | 180.0° | 0.1° |
| H4 | C3 | C4 | H6 | 49.3° | 49.9° |
| H4 | C3 | C4 | H7 | 168.8° | 69.8° |
| H5 | C3 | C4 | H6 | 69.9° | 170.2° |
| H5 | C3 | C4 | H7 | 49.5° | 50.6° |
| H8 | C9 | C10 | H9 | 8.4° | 0.1° |
| H9 | C10 | C11 | H10 | 1.7° | 0.1° |
| H10 | C11 | C12 | H11 | 6.9° | 0.3° |
| H12 | C14 | C15 | H14 | 173.4° | 180.0° |
| H12 | C14 | C15 | H15 | 66.3° | 60.0° |
| H13 | C14 | C15 | H14 | 53.7° | 60.0° |
| H13 | C14 | C15 | H15 | 174.0° | 180.0° |
| H14 | C15 | C16 | H16 | 97.2° | 180.0° |
| H14 | C15 | C16 | H17 | 143.0° | 60.1° |
| H15 | C15 | C16 | H16 | 23.1° | 60.0° |
| H15 | C15 | C16 | H17 | 96.7° | 180.0° |
| H18 | C18 | H19 | H20 | 119.9° | 120.0° |
| H21 | C19 | C20 | H23 | 88.9° | 55.1° |
| H22 | C19 | C20 | H23 | 152.9° | 175.0° |
| H23 | C20 | C21 | H24 | 74.4° | 60.1° |
| H23 | C20 | N22 | H25 | 61.4° | 56.1° |
| H23 | C20 | N22 | H26 | 178.6° | 180.0° |
| H24 | C21 | C23 | H28 | 165.2° | 173.3° |
| H24 | C21 | C23 | H29 | 48.7° | 66.7° |
| H24 | C21 | O24 | H30 | 62.9° | 175.0° |
| H28 | C23 | C25 | H31 | 68.3° | 173.0° |
| H29 | C23 | C25 | H31 | 175.2° | 66.9° |
| H31 | C25 | C29 | H33 | 173.8° | 59.6° |
| H32 | N27 | C30 | H34 | 174.8° | 120.0° |
| H32 | N27 | C30 | H35 | 57.0° | 120.0° |
| H33 | C29 | C37 | H44 | 68.4° | 175.4° |
| H33 | C29 | C37 | H45 | 171.5° | 55.4° |
| H33 | C29 | C37 | H46 | 51.5° | 64.7° |
| H33 | C29 | C38 | H47 | 64.5° | 62.5° |
| H33 | C29 | C38 | H48 | 175.5° | 57.4° |
| H33 | C29 | C38 | H49 | 55.5° | 177.5° |
| H38 | C34 | H39 | H40 | 120.0° | 120.0° |
| H41 | C35 | H42 | H43 | 120.0° | 119.9° |
| H44 | C37 | H45 | H46 | 120.0° | 119.9° |
| H47 | C38 | H48 | H49 | 120.0° | 119.9° |
