9JD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N40 | C39 | sing | 1.47Å | 1.46Å | |
| C39 | C36 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | sing | 1.53Å | 1.48Å | |
| C36 | O38 | sing | 1.43Å | 1.43Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.51Å | 1.47Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C03 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| O34 | C33 | doub | 1.21Å | 1.22Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | N31 | sing | 1.35Å | 1.35Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| N31 | C30 | sing | 1.47Å | 1.47Å | |
| N31 | C32 | sing | 1.47Å | 1.46Å | |
| N21 | C20 | sing | 1.46Å | 1.45Å | |
| N21 | C22 | sing | 1.35Å | 1.34Å | |
| C07 | C09 | sing | 1.48Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| O24 | C22 | sing | 1.35Å | 1.34Å | |
| O24 | C25 | sing | 1.45Å | 1.45Å | |
| C22 | O23 | doub | 1.21Å | 1.21Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C32 | C26 | sing | 1.53Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C26 | C16 | sing | 1.53Å | 1.61Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| F11 | C10 | sing | 1.35Å | 1.35Å | |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.55Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C10 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| N21 | H8 | sing | 0.97Å | 1.00Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.08Å | 1.08Å | |
| C05 | H15 | sing | 1.08Å | 1.08Å | |
| C06 | H16 | sing | 1.08Å | 1.08Å | |
| C08 | H17 | sing | 1.08Å | 1.08Å | |
| O17 | H18 | sing | 0.97Å | 0.95Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| O38 | H36 | sing | 0.97Å | 0.95Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| N40 | H39 | sing | 1.01Å | 1.00Å | |
| N40 | H40 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N40 | C39 | C36 | 114.7° | 109.5° |
| N40 | C39 | H37 | 108.2° | 109.5° |
| N40 | C39 | H38 | 108.2° | 109.5° |
| C39 | N40 | H39 | 109.5° | 111.1° |
| C39 | N40 | H40 | 109.4° | 111.0° |
| C39 | C36 | O38 | 104.8° | 109.5° |
| C39 | C36 | C35 | 110.6° | 109.5° |
| C39 | C36 | H35 | 110.2° | 109.5° |
| C36 | C39 | H37 | 108.1° | 109.5° |
| C36 | C39 | H38 | 108.1° | 109.5° |
| C01 | C02 | C03 | 112.2° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C01 | C02 | H12 | 108.8° | 109.5° |
| C01 | C02 | H13 | 108.8° | 109.5° |
| O38 | C36 | C35 | 108.6° | 109.5° |
| O38 | C36 | H35 | 112.0° | 109.5° |
| C36 | O38 | H36 | 109.5° | 114.0° |
| C36 | C35 | C33 | 111.8° | 109.5° |
| C36 | C35 | H33 | 108.9° | 109.5° |
| C36 | C35 | H34 | 108.9° | 109.5° |
| C35 | C36 | H35 | 110.6° | 109.4° |
| C02 | C03 | C04 | 120.8° | 120.0° |
| C02 | C03 | C08 | 120.6° | 119.9° |
| C03 | C02 | H12 | 108.8° | 109.5° |
| C03 | C02 | H13 | 108.8° | 109.5° |
| C03 | C04 | C05 | 120.7° | 120.2° |
| C04 | C03 | C08 | 118.5° | 120.1° |
| C03 | C04 | H14 | 119.7° | 119.9° |
| C04 | C05 | C06 | 120.3° | 120.1° |
| C05 | C04 | H14 | 119.7° | 119.9° |
| C04 | C05 | H15 | 119.9° | 119.9° |
| C35 | C33 | O34 | 120.0° | 120.0° |
| C35 | C33 | N31 | 118.7° | 120.0° |
| C33 | C35 | H33 | 108.9° | 109.5° |
| C33 | C35 | H34 | 108.9° | 109.5° |
| C03 | C08 | C07 | 121.7° | 119.9° |
| C03 | C08 | H17 | 119.2° | 120.1° |
| O34 | C33 | N31 | 121.3° | 120.0° |
| C05 | C06 | C07 | 120.4° | 119.9° |
| C06 | C05 | H15 | 119.8° | 120.0° |
| C05 | C06 | H16 | 119.8° | 120.0° |
| C33 | N31 | C30 | 123.3° | 120.7° |
| C33 | N31 | C32 | 125.7° | 120.6° |
| C08 | C07 | C06 | 118.4° | 119.8° |
| C08 | C07 | C09 | 120.7° | 120.1° |
| C07 | C08 | H17 | 119.1° | 120.0° |
| C06 | C07 | C09 | 120.9° | 120.1° |
| C07 | C06 | H16 | 119.8° | 120.1° |
| C30 | N31 | C32 | 111.0° | 118.7° |
| N31 | C30 | C29 | 110.7° | 108.8° |
| N31 | C30 | H29 | 109.1° | 109.6° |
| N31 | C30 | H30 | 109.2° | 109.7° |
| N31 | C32 | C26 | 111.1° | 108.8° |
| N31 | C32 | H31 | 109.1° | 109.6° |
| N31 | C32 | H32 | 109.1° | 109.6° |
| C20 | N21 | C22 | 121.7° | 120.0° |
| N21 | C20 | C19 | 112.3° | 109.4° |
| C20 | N21 | H8 | 119.1° | 120.1° |
| N21 | C20 | H19 | 108.8° | 109.5° |
| N21 | C20 | H20 | 108.8° | 109.5° |
| N21 | C22 | O24 | 111.0° | 120.0° |
| N21 | C22 | O23 | 124.7° | 120.0° |
| C22 | N21 | H8 | 119.1° | 120.0° |
| C07 | C09 | C10 | 119.5° | 120.1° |
| C07 | C09 | C15 | 122.7° | 120.1° |
| C20 | C19 | C18 | 111.7° | 109.5° |
| C20 | C19 | H6 | 108.9° | 109.5° |
| C20 | C19 | H7 | 108.9° | 109.5° |
| C19 | C20 | H19 | 108.7° | 109.5° |
| C19 | C20 | H20 | 108.7° | 109.4° |
| C22 | O24 | C25 | 115.6° | 117.0° |
| O24 | C22 | O23 | 124.3° | 120.0° |
| O24 | C25 | H21 | 109.5° | 109.5° |
| O24 | C25 | H22 | 109.4° | 109.5° |
| O24 | C25 | H23 | 109.5° | 109.5° |
| C30 | C29 | C28 | 111.0° | 109.3° |
| C30 | C29 | H27 | 109.1° | 109.5° |
| C30 | C29 | H28 | 109.1° | 109.5° |
| C29 | C30 | H29 | 109.2° | 109.6° |
| C29 | C30 | H30 | 109.2° | 109.6° |
| C32 | C26 | C16 | 109.2° | 109.5° |
| C32 | C26 | C28 | 107.6° | 109.3° |
| C32 | C26 | H24 | 109.3° | 109.5° |
| C26 | C32 | H31 | 109.1° | 109.6° |
| C26 | C32 | H32 | 109.1° | 109.6° |
| C19 | C18 | C16 | 116.3° | 109.5° |
| C19 | C18 | H4 | 107.7° | 109.5° |
| C19 | C18 | H5 | 107.8° | 109.4° |
| C18 | C19 | H6 | 108.9° | 109.4° |
| C18 | C19 | H7 | 108.9° | 109.4° |
| C18 | C16 | C26 | 116.8° | 109.5° |
| C18 | C16 | C15 | 113.6° | 109.4° |
| C18 | C16 | O17 | 107.4° | 109.4° |
| C16 | C18 | H4 | 107.7° | 109.5° |
| C16 | C18 | H5 | 107.7° | 109.5° |
| C16 | C26 | C28 | 115.4° | 109.5° |
| C26 | C16 | C15 | 112.9° | 109.5° |
| C26 | C16 | O17 | 95.9° | 109.5° |
| C16 | C26 | H24 | 107.3° | 109.5° |
| C26 | C28 | C29 | 112.0° | 109.6° |
| C28 | C26 | H24 | 108.1° | 109.5° |
| C26 | C28 | H25 | 108.9° | 109.4° |
| C26 | C28 | H26 | 108.9° | 109.5° |
| C29 | C28 | H25 | 108.8° | 109.5° |
| C29 | C28 | H26 | 108.8° | 109.5° |
| C28 | C29 | H27 | 109.1° | 109.5° |
| C28 | C29 | H28 | 109.1° | 109.5° |
| F11 | C10 | C09 | 117.7° | 120.1° |
| F11 | C10 | C12 | 118.5° | 120.1° |
| C10 | C09 | C15 | 117.8° | 119.8° |
| C09 | C10 | C12 | 123.8° | 119.8° |
| C09 | C15 | C16 | 121.6° | 120.1° |
| C09 | C15 | C14 | 118.7° | 119.9° |
| C15 | C16 | O17 | 108.2° | 109.5° |
| C16 | C15 | C14 | 119.7° | 120.1° |
| C16 | O17 | H18 | 109.5° | 114.0° |
| C10 | C12 | C13 | 118.1° | 120.1° |
| C10 | C12 | H1 | 121.0° | 119.9° |
| C15 | C14 | C13 | 121.1° | 120.2° |
| C15 | C14 | H3 | 119.4° | 119.9° |
| C12 | C13 | C14 | 120.6° | 120.3° |
| C13 | C12 | H1 | 121.0° | 120.0° |
| C12 | C13 | H2 | 119.7° | 119.9° |
| C14 | C13 | H2 | 119.7° | 119.8° |
| C13 | C14 | H3 | 119.4° | 120.0° |
| H4 | C18 | H5 | 109.4° | 109.5° |
| H6 | C19 | H7 | 109.4° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.6° |
| H31 | C32 | H32 | 109.5° | 109.6° |
| H33 | C35 | H34 | 109.4° | 109.4° |
| H37 | C39 | H38 | 109.5° | 109.5° |
| H39 | N40 | H40 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N40 | C39 | C36 | H37 | 120.8° | 120.0° |
| N40 | C39 | C36 | H38 | 120.8° | 120.0° |
| N40 | C39 | C36 | O38 | 133.8° | 65.0° |
| N40 | C39 | C36 | C35 | 109.4° | 175.0° |
| N40 | C39 | C36 | H35 | 13.2° | 55.0° |
| N40 | C39 | H37 | H38 | 117.7° | 120.0° |
| C39 | N40 | H39 | H40 | 120.0° | 124.0° |
| C39 | C36 | O38 | C35 | 118.2° | 120.0° |
| C39 | C36 | O38 | H35 | 119.4° | 120.0° |
| C39 | C36 | C35 | H35 | 122.4° | 120.0° |
| C39 | C36 | C35 | C33 | 165.2° | 175.0° |
| C39 | C36 | C35 | H33 | 74.4° | 55.0° |
| C39 | C36 | C35 | H34 | 44.8° | 65.0° |
| C39 | C36 | O38 | H36 | 180.0° | 60.0° |
| C36 | C39 | H37 | H38 | 117.6° | 120.0° |
| C36 | C39 | N40 | H39 | 180.0° | 56.0° |
| C36 | C39 | N40 | H40 | 60.0° | 180.0° |
| C01 | C02 | C03 | H12 | 120.4° | 120.0° |
| C01 | C02 | C03 | H13 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 89.5° | 89.7° |
| C01 | C02 | C03 | C08 | 89.9° | 90.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 119.9° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | H12 | H13 | 118.8° | 120.0° |
| O38 | C36 | C35 | H35 | 123.2° | 120.0° |
| O38 | C36 | C35 | C33 | 80.4° | 65.0° |
| O38 | C36 | C35 | H33 | 40.0° | 175.0° |
| O38 | C36 | C35 | H34 | 159.3° | 55.0° |
| O38 | C36 | C39 | H37 | 13.0° | 175.0° |
| O38 | C36 | C39 | H38 | 105.5° | 55.0° |
| C36 | C35 | C33 | H33 | 120.4° | 120.0° |
| C36 | C35 | C33 | H34 | 120.4° | 120.0° |
| C36 | C35 | C33 | O34 | 21.2° | 0.0° |
| C36 | C35 | C33 | N31 | 158.9° | 180.0° |
| C36 | C35 | H33 | H34 | 118.9° | 120.0° |
| C35 | C36 | O38 | H36 | 61.8° | 60.0° |
| C35 | C36 | C39 | H37 | 129.8° | 55.0° |
| C35 | C36 | C39 | H38 | 11.3° | 65.0° |
| C02 | C03 | C04 | C08 | 179.4° | 179.7° |
| C02 | C03 | C04 | C05 | 180.0° | 180.0° |
| C02 | C03 | C08 | C07 | 179.9° | 179.7° |
| C03 | C02 | C01 | H9 | 180.0° | 179.9° |
| C03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C03 | C02 | C01 | H11 | 60.0° | 60.0° |
| C03 | C02 | H12 | H13 | 118.7° | 120.0° |
| C02 | C03 | C04 | H14 | 0.0° | 0.1° |
| C02 | C03 | C08 | H17 | 0.1° | 0.0° |
| C03 | C04 | C05 | H14 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C08 | C07 | 0.5° | 0.5° |
| C04 | C03 | C02 | H12 | 31.0° | 150.2° |
| C04 | C03 | C02 | H13 | 150.2° | 30.3° |
| C03 | C04 | C05 | H15 | 179.8° | 180.0° |
| C04 | C03 | C08 | H17 | 179.5° | 179.7° |
| C05 | C04 | C03 | C08 | 0.6° | 0.3° |
| C04 | C05 | C06 | H15 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.4° | 0.0° |
| C04 | C05 | C06 | H16 | 179.6° | 180.0° |
| C35 | C33 | O34 | N31 | 180.0° | 180.0° |
| C35 | C33 | N31 | C30 | 179.5° | 0.0° |
| C35 | C33 | N31 | C32 | 0.2° | 180.0° |
| C33 | C35 | H33 | H34 | 118.9° | 120.0° |
| C33 | C35 | C36 | H35 | 42.8° | 55.0° |
| C03 | C08 | C07 | H17 | 180.0° | 179.7° |
| C03 | C08 | C07 | C06 | 0.0° | 0.5° |
| C03 | C08 | C07 | C09 | 179.0° | 179.7° |
| C08 | C03 | C02 | H12 | 149.7° | 30.0° |
| C08 | C03 | C02 | H13 | 30.4° | 150.0° |
| C08 | C03 | C04 | H14 | 179.4° | 179.8° |
| O34 | C33 | N31 | C30 | 0.5° | 180.0° |
| O34 | C33 | N31 | C32 | 179.8° | 0.0° |
| O34 | C33 | C35 | H33 | 141.5° | 120.0° |
| O34 | C33 | C35 | H34 | 99.2° | 120.1° |
| C05 | C06 | C07 | C08 | 0.5° | 0.3° |
| C05 | C06 | C07 | H16 | 180.0° | 180.0° |
| C05 | C06 | C07 | C09 | 179.5° | 180.0° |
| C06 | C05 | C04 | H14 | 179.9° | 179.9° |
| C33 | N31 | C30 | C32 | 179.4° | 180.0° |
| C33 | N31 | C30 | C29 | 122.3° | 126.4° |
| C33 | N31 | C32 | C26 | 113.9° | 126.4° |
| C33 | N31 | C30 | H29 | 2.1° | 113.8° |
| C33 | N31 | C30 | H30 | 117.5° | 6.6° |
| C33 | N31 | C32 | H31 | 125.8° | 6.6° |
| C33 | N31 | C32 | H32 | 6.3° | 113.7° |
| N31 | C33 | C35 | H33 | 38.5° | 60.0° |
| N31 | C33 | C35 | H34 | 80.7° | 59.9° |
| C08 | C07 | C06 | C09 | 179.0° | 179.7° |
| C08 | C07 | C09 | C10 | 116.0° | 78.9° |
| C08 | C07 | C09 | C15 | 64.9° | 101.1° |
| C08 | C07 | C06 | H16 | 179.5° | 179.7° |
| C06 | C07 | C09 | C10 | 65.1° | 100.8° |
| C06 | C07 | C09 | C15 | 114.1° | 79.2° |
| C07 | C06 | C05 | H15 | 179.6° | 180.0° |
| C06 | C07 | C08 | H17 | 180.0° | 179.7° |
| N31 | C30 | C29 | H29 | 120.2° | 119.8° |
| N31 | C30 | C29 | H30 | 120.2° | 119.9° |
| C30 | N31 | C32 | C26 | 65.5° | 53.6° |
| N31 | C30 | C29 | C28 | 50.1° | 54.7° |
| N31 | C30 | C29 | H27 | 70.2° | 174.6° |
| N31 | C30 | C29 | H28 | 170.3° | 65.3° |
| N31 | C30 | H29 | H30 | 119.4° | 120.4° |
| C30 | N31 | C32 | H31 | 54.8° | 173.5° |
| C30 | N31 | C32 | H32 | 174.3° | 66.2° |
| C32 | N31 | C30 | C29 | 57.1° | 53.6° |
| N31 | C32 | C26 | H31 | 120.3° | 119.8° |
| N31 | C32 | C26 | H32 | 120.2° | 119.8° |
| N31 | C32 | C26 | C16 | 171.5° | 174.6° |
| N31 | C32 | C26 | C28 | 62.7° | 54.6° |
| N31 | C32 | C26 | H24 | 54.5° | 65.3° |
| C32 | N31 | C30 | H29 | 177.3° | 66.2° |
| C32 | N31 | C30 | H30 | 63.1° | 173.5° |
| N31 | C32 | H31 | H32 | 119.3° | 120.3° |
| C20 | N21 | C22 | H8 | 180.0° | 180.0° |
| N21 | C20 | C19 | H19 | 120.4° | 120.0° |
| N21 | C20 | C19 | H20 | 120.4° | 120.0° |
| C20 | N21 | C22 | O24 | 166.5° | 180.0° |
| C20 | N21 | C22 | O23 | 13.6° | 0.0° |
| N21 | C20 | C19 | C18 | 46.9° | 180.0° |
| N21 | C20 | C19 | H6 | 73.4° | 60.0° |
| N21 | C20 | C19 | H7 | 167.2° | 60.0° |
| N21 | C20 | H19 | H20 | 118.8° | 120.1° |
| C22 | N21 | C20 | C19 | 107.3° | 180.0° |
| N21 | C22 | O24 | O23 | 179.9° | 180.0° |
| N21 | C22 | O24 | C25 | 178.1° | 180.0° |
| C22 | N21 | C20 | H19 | 13.1° | 60.0° |
| C22 | N21 | C20 | H20 | 132.3° | 60.1° |
| C07 | C09 | C10 | F11 | 0.4° | 0.3° |
| C07 | C09 | C10 | C15 | 179.2° | 180.0° |
| C07 | C09 | C15 | C16 | 1.4° | 0.0° |
| C07 | C09 | C10 | C12 | 179.7° | 179.9° |
| C07 | C09 | C15 | C14 | 179.9° | 180.0° |
| C09 | C07 | C06 | H16 | 0.5° | 0.0° |
| C09 | C07 | C08 | H17 | 1.0° | 0.0° |
| C20 | C19 | C18 | H6 | 120.3° | 120.1° |
| C20 | C19 | C18 | H7 | 120.4° | 120.0° |
| C20 | C19 | C18 | C16 | 165.4° | 180.0° |
| C20 | C19 | C18 | H4 | 44.4° | 60.0° |
| C20 | C19 | C18 | H5 | 73.6° | 60.0° |
| C20 | C19 | H6 | H7 | 119.0° | 120.0° |
| C19 | C20 | N21 | H8 | 72.7° | 0.0° |
| C19 | C20 | H19 | H20 | 118.7° | 120.0° |
| O24 | C22 | N21 | H8 | 13.5° | 0.0° |
| C22 | O24 | C25 | H21 | 180.0° | 60.0° |
| C22 | O24 | C25 | H22 | 60.0° | 180.0° |
| C22 | O24 | C25 | H23 | 60.0° | 60.0° |
| C25 | O24 | C22 | O23 | 1.8° | 0.0° |
| O24 | C25 | H21 | H22 | 120.0° | 120.0° |
| O24 | C25 | H21 | H23 | 120.0° | 120.0° |
| O24 | C25 | H22 | H23 | 120.0° | 120.0° |
| O23 | C22 | N21 | H8 | 166.5° | 180.0° |
| C30 | C29 | C28 | C26 | 50.1° | 61.4° |
| C30 | C29 | C28 | H27 | 120.2° | 120.0° |
| C30 | C29 | C28 | H28 | 120.2° | 120.0° |
| C30 | C29 | C28 | H25 | 70.3° | 58.6° |
| C30 | C29 | C28 | H26 | 170.5° | 178.6° |
| C30 | C29 | H27 | H28 | 119.3° | 120.1° |
| C29 | C30 | H29 | H30 | 119.4° | 120.3° |
| C32 | C26 | C16 | C18 | 45.8° | 178.9° |
| C32 | C26 | C16 | C28 | 121.2° | 119.8° |
| C32 | C26 | C16 | H24 | 118.3° | 120.1° |
| C32 | C26 | C28 | H24 | 117.9° | 119.9° |
| C32 | C26 | C28 | C29 | 55.7° | 61.3° |
| C32 | C26 | C16 | C15 | 179.8° | 58.9° |
| C32 | C26 | C16 | O17 | 67.1° | 61.2° |
| C32 | C26 | C28 | H25 | 64.6° | 58.7° |
| C32 | C26 | C28 | H26 | 176.1° | 178.6° |
| C26 | C32 | H31 | H32 | 119.2° | 120.4° |
| C19 | C18 | C16 | H4 | 121.0° | 120.0° |
| C19 | C18 | C16 | H5 | 121.0° | 120.0° |
| C19 | C18 | C16 | C26 | 152.3° | 177.7° |
| C19 | C18 | C16 | C15 | 18.2° | 62.3° |
| C19 | C18 | C16 | O17 | 101.5° | 57.7° |
| C19 | C18 | H4 | H5 | 116.9° | 120.0° |
| C18 | C19 | H6 | H7 | 119.0° | 119.9° |
| C18 | C19 | C20 | H19 | 167.3° | 60.0° |
| C18 | C19 | C20 | H20 | 73.5° | 60.0° |
| C18 | C16 | C26 | C15 | 134.4° | 120.0° |
| C18 | C16 | C26 | O17 | 112.9° | 120.0° |
| C18 | C16 | C26 | C28 | 167.0° | 59.1° |
| C18 | C16 | C15 | C09 | 79.2° | 130.7° |
| C18 | C16 | C15 | O17 | 119.2° | 119.9° |
| C18 | C16 | C15 | C14 | 99.2° | 49.3° |
| C16 | C18 | H4 | H5 | 116.9° | 120.0° |
| C16 | C18 | C19 | H6 | 74.3° | 59.9° |
| C16 | C18 | C19 | H7 | 45.0° | 60.0° |
| C18 | C16 | O17 | H18 | 180.0° | 60.1° |
| C18 | C16 | C26 | H24 | 72.5° | 61.0° |
| C16 | C26 | C28 | H24 | 120.0° | 120.1° |
| C16 | C26 | C28 | C29 | 177.8° | 178.7° |
| C26 | C16 | C15 | C09 | 56.7° | 109.3° |
| C26 | C16 | C15 | O17 | 104.8° | 120.1° |
| C26 | C16 | C15 | C14 | 124.9° | 70.7° |
| C26 | C16 | C18 | H4 | 31.3° | 57.7° |
| C26 | C16 | C18 | H5 | 86.6° | 62.3° |
| C26 | C16 | O17 | H18 | 59.5° | 59.9° |
| C16 | C26 | C28 | H25 | 57.4° | 61.3° |
| C16 | C26 | C28 | H26 | 61.8° | 58.7° |
| C16 | C26 | C32 | H31 | 68.3° | 65.6° |
| C16 | C26 | C32 | H32 | 51.2° | 54.7° |
| C26 | C28 | C29 | H25 | 120.4° | 120.0° |
| C26 | C28 | C29 | H26 | 120.4° | 120.0° |
| C28 | C26 | C16 | C15 | 58.5° | 60.9° |
| C28 | C26 | C16 | O17 | 54.1° | 179.0° |
| C26 | C28 | H25 | H26 | 118.9° | 119.9° |
| C26 | C28 | C29 | H27 | 70.1° | 178.7° |
| C26 | C28 | C29 | H28 | 170.3° | 58.6° |
| C28 | C26 | C32 | H31 | 57.6° | 174.4° |
| C28 | C26 | C32 | H32 | 177.1° | 65.2° |
| C29 | C28 | C26 | H24 | 62.2° | 58.6° |
| C29 | C28 | H25 | H26 | 118.8° | 120.0° |
| C28 | C29 | H27 | H28 | 119.3° | 120.0° |
| C28 | C29 | C30 | H29 | 170.2° | 65.2° |
| C28 | C29 | C30 | H30 | 70.1° | 174.6° |
| F11 | C10 | C09 | C12 | 179.9° | 179.7° |
| F11 | C10 | C09 | C15 | 179.5° | 179.7° |
| F11 | C10 | C12 | C13 | 180.0° | 179.8° |
| F11 | C10 | C12 | H1 | 0.1° | 0.4° |
| C10 | C09 | C15 | C16 | 179.4° | 180.0° |
| C10 | C09 | C15 | C14 | 1.0° | 0.1° |
| C09 | C10 | C12 | C13 | 0.1° | 0.1° |
| C09 | C10 | C12 | H1 | 180.0° | 180.0° |
| C09 | C15 | C16 | C14 | 178.4° | 180.0° |
| C09 | C15 | C16 | O17 | 161.5° | 10.8° |
| C15 | C09 | C10 | C12 | 0.6° | 0.1° |
| C09 | C15 | C14 | C13 | 1.0° | 0.0° |
| C09 | C15 | C14 | H3 | 179.1° | 180.0° |
| C16 | C15 | C14 | C13 | 179.4° | 180.0° |
| C16 | C15 | C14 | H3 | 0.6° | 0.0° |
| C15 | C16 | C18 | H4 | 102.8° | 177.7° |
| C15 | C16 | C18 | H5 | 139.2° | 57.7° |
| C15 | C16 | O17 | H18 | 56.9° | 180.0° |
| C15 | C16 | C26 | H24 | 62.0° | 179.0° |
| O17 | C16 | C15 | C14 | 20.1° | 169.2° |
| O17 | C16 | C18 | H4 | 137.5° | 62.3° |
| O17 | C16 | C18 | H5 | 19.5° | 177.7° |
| O17 | C16 | C26 | H24 | 174.6° | 59.0° |
| C10 | C12 | C13 | H1 | 180.0° | 179.9° |
| C10 | C12 | C13 | C14 | 0.0° | 0.1° |
| C10 | C12 | C13 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.5° | 0.0° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | H2 | 179.5° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.9° |
| C12 | C13 | C14 | H3 | 179.6° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| H1 | C12 | C13 | H2 | 0.0° | 0.1° |
| H2 | C13 | C14 | H3 | 0.5° | 0.0° |
| H4 | C18 | C19 | H6 | 164.7° | 180.0° |
| H4 | C18 | C19 | H7 | 76.0° | 60.0° |
| H5 | C18 | C19 | H6 | 46.7° | 60.1° |
| H5 | C18 | C19 | H7 | 166.1° | 180.0° |
| H6 | C19 | C20 | H19 | 47.0° | 180.0° |
| H6 | C19 | C20 | H20 | 166.2° | 60.0° |
| H7 | C19 | C20 | H19 | 72.3° | 59.9° |
| H7 | C19 | C20 | H20 | 46.8° | 180.0° |
| H8 | N21 | C20 | H19 | 166.9° | 119.9° |
| H8 | N21 | C20 | H20 | 47.7° | 120.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 59.6° | 60.0° |
| H9 | C01 | C02 | H13 | 59.6° | 59.9° |
| H10 | C01 | C02 | H12 | 60.4° | 60.1° |
| H10 | C01 | C02 | H13 | 179.6° | 180.0° |
| H11 | C01 | C02 | H12 | 179.6° | 180.0° |
| H11 | C01 | C02 | H13 | 60.4° | 60.0° |
| H14 | C04 | C05 | H15 | 0.1° | 0.0° |
| H15 | C05 | C06 | H16 | 0.4° | 0.0° |
| H21 | C25 | H22 | H23 | 120.0° | 119.9° |
| H24 | C26 | C28 | H25 | 177.5° | 178.6° |
| H24 | C26 | C28 | H26 | 58.2° | 61.4° |
| H24 | C26 | C32 | H31 | 174.7° | 54.5° |
| H24 | C26 | C32 | H32 | 65.8° | 174.9° |
| H25 | C28 | C29 | H27 | 169.5° | 61.3° |
| H25 | C28 | C29 | H28 | 49.9° | 178.6° |
| H26 | C28 | C29 | H27 | 50.3° | 58.6° |
| H26 | C28 | C29 | H28 | 69.3° | 61.4° |
| H27 | C29 | C30 | H29 | 50.0° | 54.8° |
| H27 | C29 | C30 | H30 | 169.6° | 65.5° |
| H28 | C29 | C30 | H29 | 69.5° | 174.8° |
| H28 | C29 | C30 | H30 | 50.1° | 54.6° |
| H33 | C35 | C36 | H35 | 163.2° | 65.0° |
| H34 | C35 | C36 | H35 | 77.5° | 175.0° |
| H35 | C36 | O38 | H36 | 60.6° | 180.0° |
| H35 | C36 | C39 | H37 | 107.6° | 65.0° |
| H35 | C36 | C39 | H38 | 133.9° | 175.0° |
| H37 | C39 | N40 | H39 | 59.3° | 63.9° |
| H37 | C39 | N40 | H40 | 60.8° | 60.1° |
| H38 | C39 | N40 | H39 | 59.2° | 176.0° |
| H38 | C39 | N40 | H40 | 179.3° | 60.0° |
