PRD_000915
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C41 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.50Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | O24 | sing | 1.45Å | 1.45Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| O24 | C16 | sing | 1.35Å | 1.38Å | |
| O12 | C11 | doub | 1.21Å | 1.23Å | |
| O40 | C39 | doub | 1.21Å | 1.33Å | |
| C39 | C34 | sing | 1.51Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C25 | sing | 1.53Å | 1.58Å | |
| C9 | N10 | sing | 1.46Å | 1.50Å | |
| C1 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.57Å | |
| C37 | C35 | sing | 1.53Å | 1.57Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| O33 | C32 | sing | 1.43Å | 1.44Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C16 | N15 | sing | 1.35Å | 1.37Å | |
| C11 | N10 | sing | 1.35Å | 1.37Å | |
| C11 | C13 | sing | 1.51Å | 1.57Å | |
| C35 | C34 | sing | 1.53Å | 1.56Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| N29 | C28 | sing | 1.47Å | 1.44Å | |
| N29 | C30 | sing | 1.35Å | 1.35Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C34 | C32 | sing | 1.53Å | 1.55Å | |
| N15 | C13 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C32 | C30 | sing | 1.51Å | 1.48Å | |
| C30 | O31 | doub | 1.21Å | 1.22Å | |
| C39 | H2 | sing | 1.08Å | 1.08Å | |
| C34 | H4 | sing | 1.09Å | 1.10Å | |
| C35 | H5 | sing | 1.09Å | 1.10Å | |
| C37 | H6 | sing | 1.09Å | 1.10Å | |
| C37 | H7 | sing | 1.09Å | 1.10Å | |
| C38 | H8 | sing | 1.09Å | 1.10Å | |
| C38 | H9 | sing | 1.09Å | 1.10Å | |
| C38 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| O33 | H15 | sing | 0.97Å | 0.95Å | |
| N29 | H16 | sing | 0.97Å | 1.00Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H27 | sing | 1.08Å | 1.08Å | |
| C3 | H28 | sing | 1.08Å | 1.08Å | |
| C4 | H29 | sing | 1.08Å | 1.08Å | |
| C5 | H30 | sing | 1.08Å | 1.08Å | |
| N10 | H31 | sing | 0.97Å | 1.00Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| N15 | H36 | sing | 0.97Å | 1.00Å | |
| C41 | H37 | sing | 1.09Å | 1.10Å | |
| C41 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.08Å | 1.08Å | |
| C20 | H40 | sing | 1.08Å | 1.08Å | |
| C21 | H41 | sing | 1.08Å | 1.08Å | |
| C22 | H42 | sing | 1.08Å | 1.08Å | |
| C23 | H43 | sing | 1.08Å | 1.08Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 121.5° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C21 | C20 | H40 | 119.9° | 120.0° |
| C20 | C21 | H41 | 119.2° | 120.0° |
| C21 | C22 | C23 | 117.9° | 120.0° |
| C22 | C21 | H41 | 119.3° | 120.0° |
| C21 | C22 | H42 | 121.0° | 120.0° |
| C20 | C19 | C18 | 118.0° | 120.0° |
| C20 | C19 | H39 | 121.0° | 120.0° |
| C19 | C20 | H40 | 119.9° | 120.0° |
| C22 | C23 | C18 | 120.6° | 120.0° |
| C23 | C22 | H42 | 121.1° | 120.0° |
| C22 | C23 | H43 | 119.7° | 120.0° |
| C19 | C18 | C23 | 121.8° | 120.0° |
| C19 | C18 | C41 | 119.0° | 120.0° |
| C18 | C19 | H39 | 121.0° | 120.0° |
| C23 | C18 | C41 | 119.1° | 120.0° |
| C18 | C23 | H43 | 119.7° | 120.0° |
| C18 | C41 | O24 | 109.4° | 109.5° |
| C18 | C41 | H37 | 109.5° | 109.5° |
| C18 | C41 | H38 | 109.5° | 109.5° |
| C4 | C5 | C6 | 120.8° | 120.0° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H29 | 119.7° | 120.0° |
| C4 | C5 | H30 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.5° | 120.0° |
| C5 | C6 | C1 | 115.5° | 119.9° |
| C6 | C5 | H30 | 119.6° | 120.0° |
| C4 | C3 | C2 | 118.5° | 120.0° |
| C4 | C3 | H28 | 120.7° | 120.0° |
| C3 | C4 | H29 | 119.7° | 120.0° |
| C6 | C7 | C8 | 116.6° | 109.4° |
| C7 | C6 | C1 | 124.2° | 120.0° |
| C6 | C7 | H25 | 107.7° | 109.5° |
| C6 | C7 | H3 | 107.7° | 109.5° |
| C7 | C8 | C9 | 122.0° | 109.5° |
| C7 | C8 | H24 | 106.3° | 109.5° |
| C8 | C7 | H25 | 107.7° | 109.4° |
| C7 | C8 | H1 | 106.2° | 109.5° |
| C8 | C7 | H3 | 107.7° | 109.4° |
| C6 | C1 | C2 | 122.1° | 120.0° |
| C6 | C1 | H26 | 118.9° | 119.9° |
| C41 | O24 | C16 | 117.5° | 117.0° |
| O24 | C41 | H37 | 109.5° | 109.5° |
| O24 | C41 | H38 | 109.5° | 109.5° |
| C3 | C2 | C1 | 122.3° | 120.0° |
| C3 | C2 | H27 | 118.8° | 120.0° |
| C2 | C3 | H28 | 120.7° | 120.0° |
| O24 | C16 | O17 | 122.7° | 120.0° |
| O24 | C16 | N15 | 116.7° | 120.0° |
| O12 | C11 | N10 | 117.0° | 120.0° |
| O12 | C11 | C13 | 117.9° | 120.1° |
| O40 | C39 | C34 | 123.0° | 120.0° |
| O40 | C39 | H2 | 118.5° | 120.0° |
| C39 | C34 | C35 | 110.5° | 109.5° |
| C39 | C34 | C32 | 113.1° | 109.5° |
| C34 | C39 | H2 | 118.5° | 120.0° |
| C39 | C34 | H4 | 107.6° | 109.5° |
| C8 | C9 | C25 | 112.1° | 109.4° |
| C8 | C9 | N10 | 111.4° | 109.5° |
| C8 | C9 | H23 | 106.9° | 109.5° |
| C9 | C8 | H24 | 106.2° | 109.4° |
| C9 | C8 | H1 | 106.3° | 109.5° |
| C25 | C9 | N10 | 112.1° | 109.5° |
| C9 | C25 | C26 | 109.2° | 109.5° |
| C9 | C25 | H21 | 109.6° | 109.5° |
| C9 | C25 | H22 | 109.5° | 109.5° |
| C25 | C9 | H23 | 106.6° | 109.5° |
| C9 | N10 | C11 | 124.2° | 120.0° |
| N10 | C9 | H23 | 107.4° | 109.5° |
| C9 | N10 | H31 | 117.9° | 120.0° |
| C2 | C1 | H26 | 118.9° | 120.1° |
| C1 | C2 | H27 | 118.8° | 120.0° |
| C25 | C26 | C27 | 115.8° | 117.5° |
| C25 | C26 | C28 | 126.5° | 117.5° |
| C25 | C26 | H20 | 114.2° | 115.6° |
| C26 | C25 | H21 | 109.5° | 109.5° |
| C26 | C25 | H22 | 109.6° | 109.5° |
| C35 | C37 | C38 | 114.7° | 109.5° |
| C37 | C35 | C34 | 115.0° | 109.4° |
| C37 | C35 | C36 | 108.0° | 109.4° |
| C37 | C35 | H5 | 106.6° | 109.5° |
| C35 | C37 | H6 | 108.2° | 109.5° |
| C35 | C37 | H7 | 108.1° | 109.5° |
| C38 | C37 | H6 | 108.1° | 109.4° |
| C38 | C37 | H7 | 108.2° | 109.4° |
| C37 | C38 | H8 | 109.5° | 109.5° |
| C37 | C38 | H9 | 109.5° | 109.5° |
| C37 | C38 | H10 | 109.5° | 109.5° |
| C26 | C27 | C28 | 60.0° | 60.0° |
| C27 | C26 | C28 | 59.6° | 60.0° |
| C26 | C27 | H18 | 120.0° | 117.5° |
| C26 | C27 | H19 | 120.0° | 117.5° |
| C27 | C26 | H20 | 114.4° | 117.5° |
| C27 | C28 | N29 | 116.1° | 117.5° |
| C27 | C28 | C26 | 60.5° | 60.0° |
| C27 | C28 | H17 | 114.5° | 117.5° |
| C28 | C27 | H18 | 120.0° | 117.5° |
| C28 | C27 | H19 | 120.0° | 117.5° |
| O33 | C32 | C34 | 113.2° | 109.4° |
| O33 | C32 | C30 | 106.6° | 109.5° |
| O33 | C32 | H14 | 110.4° | 109.5° |
| C32 | O33 | H15 | 109.5° | 114.0° |
| O17 | C16 | N15 | 120.6° | 120.0° |
| C16 | N15 | C13 | 122.6° | 120.0° |
| C16 | N15 | H36 | 118.7° | 120.0° |
| N10 | C11 | C13 | 124.7° | 120.0° |
| C11 | N10 | H31 | 117.9° | 120.0° |
| C11 | C13 | N15 | 112.6° | 109.4° |
| C11 | C13 | C14 | 119.5° | 109.5° |
| C11 | C13 | H32 | 105.1° | 109.5° |
| C34 | C35 | C36 | 113.4° | 109.5° |
| C35 | C34 | C32 | 110.6° | 109.4° |
| C35 | C34 | H4 | 107.3° | 109.5° |
| C34 | C35 | H5 | 106.6° | 109.5° |
| C36 | C35 | H5 | 106.7° | 109.5° |
| C35 | C36 | H11 | 109.5° | 109.4° |
| C35 | C36 | H12 | 109.4° | 109.5° |
| C35 | C36 | H13 | 109.5° | 109.5° |
| C28 | N29 | C30 | 112.7° | 120.0° |
| N29 | C28 | C26 | 123.0° | 117.5° |
| C28 | N29 | H16 | 123.6° | 120.0° |
| N29 | C28 | H17 | 116.3° | 115.5° |
| N29 | C30 | C32 | 118.0° | 120.0° |
| N29 | C30 | O31 | 124.4° | 120.0° |
| C30 | N29 | H16 | 123.7° | 120.0° |
| C26 | C28 | H17 | 114.4° | 117.5° |
| C28 | C26 | H20 | 114.6° | 117.5° |
| C34 | C32 | C30 | 108.1° | 109.5° |
| C32 | C34 | H4 | 107.5° | 109.4° |
| C34 | C32 | H14 | 108.8° | 109.5° |
| N15 | C13 | C14 | 107.5° | 109.4° |
| N15 | C13 | H32 | 106.1° | 109.5° |
| C13 | N15 | H36 | 118.7° | 120.0° |
| C14 | C13 | H32 | 105.1° | 109.5° |
| C13 | C14 | H33 | 109.5° | 109.5° |
| C13 | C14 | H34 | 109.5° | 109.4° |
| C13 | C14 | H35 | 109.5° | 109.5° |
| C32 | C30 | O31 | 117.5° | 120.0° |
| C30 | C32 | H14 | 109.7° | 109.5° |
| H6 | C37 | H7 | 109.5° | 109.5° |
| H8 | C38 | H9 | 109.5° | 109.5° |
| H8 | C38 | H10 | 109.4° | 109.4° |
| H9 | C38 | H10 | 109.4° | 109.4° |
| H11 | C36 | H12 | 109.5° | 109.4° |
| H11 | C36 | H13 | 109.4° | 109.5° |
| H12 | C36 | H13 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 115.6° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H24 | C8 | H1 | 109.5° | 109.5° |
| H25 | C7 | H3 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.5° | 109.5° |
| H33 | C14 | H35 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.4° | 109.5° |
| H37 | C41 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H41 | 180.0° | 180.0° |
| C21 | C20 | C19 | H40 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.8° | 0.2° |
| C21 | C20 | C19 | C18 | 0.2° | 0.1° |
| C21 | C20 | C19 | H39 | 179.8° | 179.9° |
| C20 | C21 | C22 | H42 | 179.3° | 180.0° |
| C22 | C21 | C20 | C19 | 0.7° | 0.1° |
| C21 | C22 | C23 | H42 | 180.0° | 179.8° |
| C21 | C22 | C23 | C18 | 0.3° | 0.5° |
| C22 | C21 | C20 | H40 | 179.3° | 180.0° |
| C21 | C22 | C23 | H43 | 179.7° | 180.0° |
| C20 | C19 | C18 | H39 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.3° | 0.3° |
| C20 | C19 | C18 | C41 | 176.2° | 180.0° |
| C19 | C20 | C21 | H41 | 179.3° | 179.9° |
| C22 | C23 | C18 | C19 | 0.2° | 0.6° |
| C22 | C23 | C18 | H43 | 180.0° | 179.4° |
| C22 | C23 | C18 | C41 | 176.1° | 179.7° |
| C23 | C22 | C21 | H41 | 179.2° | 179.8° |
| C19 | C18 | C23 | C41 | 175.9° | 179.7° |
| C19 | C18 | C41 | O24 | 103.2° | 90.0° |
| C19 | C18 | C41 | H37 | 136.8° | 30.0° |
| C19 | C18 | C41 | H38 | 16.8° | 150.0° |
| C18 | C19 | C20 | H40 | 179.8° | 179.9° |
| C19 | C18 | C23 | H43 | 179.8° | 180.0° |
| C23 | C18 | C41 | O24 | 80.7° | 90.3° |
| C23 | C18 | C41 | H37 | 39.3° | 149.7° |
| C23 | C18 | C41 | H38 | 159.2° | 29.7° |
| C23 | C18 | C19 | H39 | 179.8° | 179.7° |
| C18 | C23 | C22 | H42 | 179.7° | 179.7° |
| C18 | C41 | O24 | H37 | 120.0° | 120.0° |
| C18 | C41 | O24 | H38 | 120.0° | 120.0° |
| C18 | C41 | O24 | C16 | 159.7° | 180.0° |
| C18 | C41 | H37 | H38 | 120.0° | 120.0° |
| C41 | C18 | C19 | H39 | 3.8° | 0.0° |
| C41 | C18 | C23 | H43 | 3.9° | 0.3° |
| C4 | C5 | C6 | H30 | 180.0° | 179.4° |
| C5 | C4 | C3 | H29 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 165.9° | 179.8° |
| C4 | C5 | C6 | C1 | 4.4° | 0.6° |
| C5 | C4 | C3 | C2 | 0.1° | 0.3° |
| C5 | C4 | C3 | H28 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 2.3° | 0.6° |
| C5 | C6 | C7 | C1 | 169.4° | 179.7° |
| C5 | C6 | C7 | C8 | 131.9° | 90.3° |
| C5 | C6 | C1 | C2 | 4.5° | 0.3° |
| C5 | C6 | C7 | H25 | 107.1° | 149.8° |
| C5 | C6 | C1 | H26 | 175.6° | 179.8° |
| C6 | C5 | C4 | H29 | 177.7° | 179.7° |
| C5 | C6 | C7 | H3 | 10.8° | 29.7° |
| C4 | C3 | C2 | H28 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H27 | 179.8° | 179.9° |
| C3 | C4 | C5 | H30 | 177.8° | 180.0° |
| C6 | C7 | C8 | H25 | 121.0° | 120.0° |
| C6 | C7 | C8 | H3 | 121.0° | 120.0° |
| C6 | C7 | C8 | C9 | 160.9° | 180.0° |
| C7 | C6 | C1 | C2 | 165.3° | 179.9° |
| C6 | C7 | C8 | H24 | 39.2° | 60.0° |
| C6 | C7 | H25 | H3 | 116.8° | 120.1° |
| C7 | C6 | C1 | H26 | 14.6° | 0.1° |
| C7 | C6 | C5 | H30 | 14.1° | 0.3° |
| C6 | C7 | C8 | H1 | 77.3° | 60.0° |
| C8 | C7 | C6 | C1 | 37.5° | 90.0° |
| C7 | C8 | C9 | H24 | 121.7° | 120.0° |
| C7 | C8 | C9 | H1 | 121.7° | 120.0° |
| C7 | C8 | C9 | C25 | 88.6° | 175.0° |
| C7 | C8 | C9 | N10 | 144.9° | 65.0° |
| C7 | C8 | C9 | H23 | 27.8° | 55.0° |
| C7 | C8 | H24 | H1 | 114.3° | 120.1° |
| C8 | C7 | H25 | H3 | 116.8° | 119.9° |
| C6 | C1 | C2 | C3 | 2.4° | 0.0° |
| C6 | C1 | C2 | H26 | 180.0° | 180.0° |
| C1 | C6 | C7 | H25 | 83.5° | 29.9° |
| C6 | C1 | C2 | H27 | 177.7° | 179.9° |
| C1 | C6 | C5 | H30 | 175.6° | 180.0° |
| C1 | C6 | C7 | H3 | 158.6° | 150.0° |
| C41 | O24 | C16 | O17 | 150.3° | 0.0° |
| C41 | O24 | C16 | N15 | 30.3° | 179.7° |
| O24 | C41 | H37 | H38 | 120.0° | 120.0° |
| C3 | C2 | C1 | H27 | 180.0° | 179.9° |
| C3 | C2 | C1 | H26 | 177.6° | 180.0° |
| C2 | C3 | C4 | H29 | 179.9° | 180.0° |
| O24 | C16 | O17 | N15 | 179.4° | 179.7° |
| O24 | C16 | N15 | C13 | 94.9° | 179.7° |
| O24 | C16 | N15 | H36 | 85.1° | 0.2° |
| C16 | O24 | C41 | H37 | 39.7° | 60.0° |
| C16 | O24 | C41 | H38 | 80.3° | 60.0° |
| O12 | C11 | N10 | C9 | 44.6° | 0.0° |
| O12 | C11 | N10 | C13 | 172.2° | 179.9° |
| O12 | C11 | C13 | N15 | 29.6° | 0.1° |
| O12 | C11 | C13 | C14 | 157.0° | 120.0° |
| O12 | C11 | N10 | H31 | 135.3° | 180.0° |
| O12 | C11 | C13 | H32 | 85.4° | 120.0° |
| O40 | C39 | C34 | H2 | 180.0° | 180.0° |
| O40 | C39 | C34 | C35 | 94.0° | 120.0° |
| O40 | C39 | C34 | C32 | 141.4° | 120.0° |
| O40 | C39 | C34 | H4 | 22.9° | 0.1° |
| C39 | C34 | C35 | C37 | 50.5° | 60.0° |
| C39 | C34 | C32 | O33 | 52.5° | 55.0° |
| C39 | C34 | C35 | C32 | 126.0° | 120.0° |
| C39 | C34 | C35 | H4 | 117.0° | 120.0° |
| C39 | C34 | C35 | C36 | 175.4° | 180.0° |
| C39 | C34 | C32 | H4 | 118.6° | 120.0° |
| C39 | C34 | C32 | C30 | 65.3° | 65.0° |
| C39 | C34 | C35 | H5 | 67.4° | 60.0° |
| C39 | C34 | C32 | H14 | 175.6° | 175.0° |
| C8 | C9 | C25 | N10 | 126.1° | 120.0° |
| C8 | C9 | C25 | H23 | 116.6° | 120.0° |
| C8 | C9 | N10 | H23 | 116.8° | 120.0° |
| C8 | C9 | C25 | C26 | 134.8° | 175.0° |
| C8 | C9 | N10 | C11 | 139.1° | 85.0° |
| C8 | C9 | C25 | H21 | 14.8° | 55.0° |
| C8 | C9 | C25 | H22 | 105.2° | 64.9° |
| C9 | C8 | H24 | H1 | 114.4° | 120.0° |
| C9 | C8 | C7 | H25 | 78.1° | 60.0° |
| C8 | C9 | N10 | H31 | 40.9° | 95.0° |
| C9 | C8 | C7 | H3 | 39.9° | 60.0° |
| C25 | C9 | N10 | H23 | 116.7° | 120.0° |
| C9 | C25 | C26 | H21 | 120.0° | 120.0° |
| C9 | C25 | C26 | H22 | 120.0° | 120.1° |
| C9 | C25 | C26 | C27 | 106.0° | 116.4° |
| C25 | C9 | N10 | C11 | 94.5° | 155.0° |
| C9 | C25 | C26 | C28 | 176.0° | 175.0° |
| C9 | C25 | C26 | H20 | 30.0° | 29.3° |
| C9 | C25 | H21 | H22 | 120.1° | 120.0° |
| C25 | C9 | C8 | H24 | 149.6° | 55.0° |
| C25 | C9 | N10 | H31 | 85.6° | 25.0° |
| C25 | C9 | C8 | H1 | 33.1° | 65.0° |
| N10 | C9 | C25 | C26 | 8.6° | 65.0° |
| C9 | N10 | C11 | H31 | 180.0° | 180.0° |
| C9 | N10 | C11 | C13 | 127.5° | 180.0° |
| N10 | C9 | C25 | H21 | 111.3° | 175.0° |
| N10 | C9 | C25 | H22 | 128.6° | 55.0° |
| N10 | C9 | C8 | H24 | 23.1° | 175.0° |
| N10 | C9 | C8 | H1 | 93.4° | 55.0° |
| C1 | C2 | C3 | H28 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 118.8° | 107.5° |
| C25 | C26 | C27 | H20 | 135.9° | 145.0° |
| C25 | C26 | C28 | N29 | 2.5° | 0.0° |
| C25 | C26 | C28 | H20 | 153.9° | 145.0° |
| C25 | C26 | C28 | H17 | 153.5° | 145.0° |
| C25 | C26 | C27 | H18 | 9.4° | 145.0° |
| C25 | C26 | C27 | H19 | 131.7° | 0.0° |
| C26 | C25 | H21 | H22 | 120.1° | 120.0° |
| C26 | C25 | C9 | H23 | 108.6° | 55.0° |
| C35 | C37 | C38 | H6 | 120.8° | 120.0° |
| C35 | C37 | C38 | H7 | 120.7° | 120.0° |
| C37 | C35 | C34 | C36 | 124.9° | 120.0° |
| C37 | C35 | C34 | H5 | 117.9° | 120.0° |
| C37 | C35 | C36 | H5 | 114.2° | 120.0° |
| C37 | C35 | C34 | C32 | 176.5° | 180.0° |
| C37 | C35 | C34 | H4 | 66.5° | 60.0° |
| C35 | C37 | H6 | H7 | 117.6° | 120.1° |
| C35 | C37 | C38 | H8 | 180.0° | 180.0° |
| C35 | C37 | C38 | H9 | 60.0° | 60.0° |
| C35 | C37 | C38 | H10 | 60.0° | 60.0° |
| C37 | C35 | C36 | H11 | 180.0° | 179.9° |
| C37 | C35 | C36 | H12 | 60.0° | 60.0° |
| C37 | C35 | C36 | H13 | 60.0° | 60.0° |
| C38 | C37 | C35 | C34 | 48.5° | 175.0° |
| C38 | C37 | C35 | C36 | 79.2° | 65.0° |
| C38 | C37 | C35 | H5 | 166.4° | 55.0° |
| C38 | C37 | H6 | H7 | 117.6° | 119.9° |
| C37 | C38 | H8 | H9 | 120.0° | 120.1° |
| C37 | C38 | H8 | H10 | 120.0° | 120.0° |
| C37 | C38 | H9 | H10 | 120.0° | 120.0° |
| C26 | C27 | C28 | H18 | 109.5° | 107.5° |
| C26 | C27 | C28 | H19 | 109.4° | 107.5° |
| C27 | C26 | C28 | N29 | 103.6° | 107.5° |
| C27 | C26 | C28 | H20 | 105.0° | 107.5° |
| C26 | C27 | C28 | H17 | 105.3° | 107.6° |
| C26 | C27 | H18 | H19 | 144.8° | 145.7° |
| C27 | C26 | C25 | H21 | 134.0° | 3.6° |
| C27 | C26 | C25 | H22 | 13.9° | 123.6° |
| C27 | C28 | N29 | H17 | 139.2° | 145.6° |
| C27 | C28 | N29 | C30 | 163.2° | 136.3° |
| C27 | C28 | N29 | H16 | 16.8° | 43.8° |
| C28 | C27 | H18 | H19 | 144.8° | 145.7° |
| O33 | C32 | C34 | C35 | 72.0° | 65.0° |
| O33 | C32 | C30 | N29 | 50.2° | 175.1° |
| O33 | C32 | C34 | C30 | 117.9° | 120.0° |
| O33 | C32 | C34 | H14 | 123.1° | 120.0° |
| O33 | C32 | C30 | H14 | 119.6° | 120.0° |
| O33 | C32 | C30 | O31 | 133.3° | 5.0° |
| O33 | C32 | C34 | H4 | 171.2° | 175.0° |
| O17 | C16 | N15 | C13 | 84.6° | 0.0° |
| O17 | C16 | N15 | H36 | 95.4° | 179.9° |
| C16 | N15 | C13 | C11 | 104.7° | 155.0° |
| C16 | N15 | C13 | H36 | 180.0° | 179.9° |
| C16 | N15 | C13 | C14 | 121.7° | 85.0° |
| C16 | N15 | C13 | H32 | 9.7° | 35.0° |
| N10 | C11 | C13 | N15 | 158.3° | 180.0° |
| N10 | C11 | C13 | C14 | 30.9° | 60.1° |
| C11 | N10 | C9 | H23 | 22.3° | 35.0° |
| N10 | C11 | C13 | H32 | 86.7° | 60.0° |
| C11 | C13 | N15 | C14 | 133.5° | 120.0° |
| C11 | C13 | N15 | H32 | 114.4° | 120.0° |
| C11 | C13 | C14 | H32 | 117.6° | 120.1° |
| C13 | C11 | N10 | H31 | 52.5° | 0.0° |
| C11 | C13 | C14 | H33 | 180.0° | 60.1° |
| C11 | C13 | C14 | H34 | 60.0° | 180.0° |
| C11 | C13 | C14 | H35 | 60.0° | 59.9° |
| C11 | C13 | N15 | H36 | 75.3° | 24.9° |
| C34 | C35 | C36 | H5 | 117.1° | 120.1° |
| C35 | C34 | C32 | H4 | 116.9° | 120.0° |
| C35 | C34 | C32 | C30 | 170.2° | 175.0° |
| C35 | C34 | C39 | H2 | 86.0° | 60.0° |
| C34 | C35 | C37 | H6 | 72.2° | 65.0° |
| C34 | C35 | C37 | H7 | 169.2° | 55.1° |
| C34 | C35 | C36 | H11 | 51.4° | 60.0° |
| C34 | C35 | C36 | H12 | 68.6° | 59.9° |
| C34 | C35 | C36 | H13 | 171.4° | 180.0° |
| C35 | C34 | C32 | H14 | 51.1° | 55.0° |
| C36 | C35 | C34 | C32 | 58.5° | 60.0° |
| C36 | C35 | C34 | H4 | 58.4° | 59.9° |
| C36 | C35 | C37 | H6 | 160.0° | 55.0° |
| C36 | C35 | C37 | H7 | 41.5° | 175.0° |
| C35 | C36 | H11 | H12 | 120.0° | 120.0° |
| C35 | C36 | H11 | H13 | 120.0° | 120.0° |
| C35 | C36 | H12 | H13 | 120.0° | 120.0° |
| C28 | N29 | C30 | H16 | 180.0° | 179.9° |
| N29 | C28 | C26 | H17 | 151.0° | 145.1° |
| C28 | N29 | C30 | C32 | 173.8° | 180.0° |
| C28 | N29 | C30 | O31 | 2.3° | 0.1° |
| N29 | C28 | C27 | H18 | 5.4° | 145.0° |
| N29 | C28 | C27 | H19 | 135.7° | 0.0° |
| N29 | C28 | C26 | H20 | 151.4° | 145.0° |
| C30 | N29 | C28 | C26 | 126.4° | 155.1° |
| N29 | C30 | C32 | C34 | 71.7° | 65.0° |
| N29 | C30 | C32 | O31 | 176.4° | 179.9° |
| N29 | C30 | C32 | H14 | 169.8° | 55.0° |
| C30 | N29 | C28 | H17 | 24.1° | 9.3° |
| C26 | C28 | N29 | H16 | 53.6° | 24.9° |
| C28 | C26 | C25 | H21 | 64.0° | 65.0° |
| C28 | C26 | C25 | H22 | 56.0° | 55.0° |
| C34 | C32 | C30 | H14 | 118.5° | 120.0° |
| C34 | C32 | C30 | O31 | 104.7° | 115.0° |
| C32 | C34 | C39 | H2 | 38.6° | 60.0° |
| C32 | C34 | C35 | H5 | 58.7° | 60.0° |
| C34 | C32 | O33 | H15 | 180.0° | 60.0° |
| N15 | C13 | C14 | H32 | 112.7° | 120.0° |
| N15 | C13 | C14 | H33 | 50.2° | 180.0° |
| N15 | C13 | C14 | H34 | 69.8° | 60.1° |
| N15 | C13 | C14 | H35 | 170.2° | 60.0° |
| C13 | C14 | H33 | H34 | 120.0° | 119.9° |
| C13 | C14 | H33 | H35 | 120.0° | 120.0° |
| C13 | C14 | H34 | H35 | 120.0° | 120.0° |
| C14 | C13 | N15 | H36 | 58.3° | 95.0° |
| C30 | C32 | C34 | H4 | 53.3° | 55.0° |
| C30 | C32 | O33 | H15 | 61.3° | 60.0° |
| C32 | C30 | N29 | H16 | 6.2° | 0.0° |
| O31 | C30 | C32 | H14 | 13.8° | 125.0° |
| O31 | C30 | N29 | H16 | 177.7° | 180.0° |
| H2 | C39 | C34 | H4 | 157.1° | 180.0° |
| H4 | C34 | C35 | H5 | 175.6° | 180.0° |
| H4 | C34 | C32 | H14 | 65.7° | 65.0° |
| H5 | C35 | C37 | H6 | 45.7° | 175.0° |
| H5 | C35 | C37 | H7 | 72.8° | 65.0° |
| H5 | C35 | C36 | H11 | 65.7° | 60.1° |
| H5 | C35 | C36 | H12 | 174.2° | 180.0° |
| H5 | C35 | C36 | H13 | 54.2° | 60.0° |
| H6 | C37 | C38 | H8 | 59.2° | 60.0° |
| H6 | C37 | C38 | H9 | 179.2° | 180.0° |
| H6 | C37 | C38 | H10 | 60.8° | 60.0° |
| H7 | C37 | C38 | H8 | 59.3° | 60.0° |
| H7 | C37 | C38 | H9 | 60.8° | 60.0° |
| H7 | C37 | C38 | H10 | 179.3° | 180.0° |
| H8 | C38 | H9 | H10 | 120.0° | 119.9° |
| H11 | C36 | H12 | H13 | 120.0° | 120.0° |
| H14 | C32 | O33 | H15 | 57.8° | 180.0° |
| H16 | N29 | C28 | H17 | 155.9° | 170.6° |
| H17 | C28 | C27 | H18 | 145.2° | 0.1° |
| H17 | C28 | C27 | H19 | 4.1° | 145.0° |
| H17 | C28 | C26 | H20 | 0.5° | 0.0° |
| H18 | C27 | C26 | H20 | 145.3° | 0.0° |
| H19 | C27 | C26 | H20 | 4.2° | 145.1° |
| H20 | C26 | C25 | H21 | 90.0° | 149.3° |
| H20 | C26 | C25 | H22 | 150.0° | 90.7° |
| H21 | C25 | C9 | H23 | 131.5° | 65.0° |
| H22 | C25 | C9 | H23 | 11.4° | 175.0° |
| H23 | C9 | C8 | H24 | 94.0° | 65.0° |
| H23 | C9 | N10 | H31 | 157.7° | 145.0° |
| H23 | C9 | C8 | H1 | 149.5° | 175.0° |
| H24 | C8 | C7 | H25 | 160.2° | 180.0° |
| H24 | C8 | C7 | H3 | 81.8° | 60.0° |
| H25 | C7 | C8 | H1 | 43.7° | 60.0° |
| H26 | C1 | C2 | H27 | 2.3° | 0.0° |
| H27 | C2 | C3 | H28 | 0.1° | 0.1° |
| H28 | C3 | C4 | H29 | 0.0° | 0.0° |
| H29 | C4 | C5 | H30 | 2.3° | 0.3° |
| H32 | C13 | C14 | H33 | 62.4° | 60.0° |
| H32 | C13 | C14 | H34 | 177.6° | 60.0° |
| H32 | C13 | C14 | H35 | 57.6° | 180.0° |
| H32 | C13 | N15 | H36 | 170.3° | 145.0° |
| H33 | C14 | H34 | H35 | 120.0° | 120.0° |
| H39 | C19 | C20 | H40 | 0.2° | 0.1° |
| H40 | C20 | C21 | H41 | 0.7° | 0.0° |
| H41 | C21 | C22 | H42 | 0.8° | 0.0° |
| H42 | C22 | C23 | H43 | 0.3° | 0.2° |
| H1 | C8 | C7 | H3 | 161.6° | 180.0° |
