90D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | N38 | sing | 1.47Å | 1.47Å | |
| N38 | C37 | sing | 1.47Å | 1.48Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C33 | O34 | doub | 1.21Å | 1.22Å | |
| C33 | N31 | sing | 1.35Å | 1.36Å | |
| C02 | C03 | sing | 1.51Å | 1.50Å | |
| C30 | N31 | sing | 1.47Å | 1.51Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| N31 | C32 | sing | 1.47Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C26 | sing | 1.53Å | 1.65Å | |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C16 | sing | 1.53Å | 1.61Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C09 | sing | 1.48Å | 1.49Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.51Å | 1.57Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C09 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| F11 | C10 | sing | 1.35Å | 1.35Å | |
| C10 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C20 | N21 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.35Å | 1.35Å | |
| C22 | O23 | doub | 1.22Å | 1.21Å | |
| C22 | O24 | sing | 1.35Å | 1.34Å | |
| O24 | C25 | sing | 1.45Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| O17 | H13 | sing | 0.97Å | 0.95Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| N21 | H20 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| N38 | H39 | sing | 1.01Å | 1.00Å | |
| C39 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | N38 | C37 | 111.1° | 111.0° |
| C39 | N38 | H39 | 109.1° | 111.0° |
| N38 | C39 | H41 | 109.5° | 109.5° |
| N38 | C39 | H42 | 109.5° | 109.5° |
| N38 | C39 | H43 | 109.5° | 109.5° |
| N38 | C37 | C36 | 112.4° | 109.5° |
| N38 | C37 | H37 | 108.7° | 109.5° |
| N38 | C37 | H38 | 108.7° | 109.5° |
| C37 | N38 | H39 | 109.1° | 111.1° |
| C37 | C36 | C35 | 113.0° | 109.5° |
| C37 | C36 | H35 | 108.6° | 109.5° |
| C37 | C36 | H36 | 108.6° | 109.4° |
| C36 | C37 | H37 | 108.7° | 109.5° |
| C36 | C37 | H38 | 108.7° | 109.4° |
| C36 | C35 | C33 | 112.9° | 109.5° |
| C36 | C35 | H33 | 108.6° | 109.5° |
| C36 | C35 | H34 | 108.6° | 109.5° |
| C35 | C36 | H35 | 108.6° | 109.5° |
| C35 | C36 | H36 | 108.6° | 109.5° |
| C35 | C33 | O34 | 119.7° | 120.0° |
| C35 | C33 | N31 | 118.3° | 120.0° |
| C33 | C35 | H33 | 108.6° | 109.4° |
| C33 | C35 | H34 | 108.6° | 109.4° |
| C01 | C02 | C03 | 113.3° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.5° | 109.5° |
| C01 | C02 | H5 | 108.5° | 109.5° |
| O34 | C33 | N31 | 122.0° | 120.0° |
| C33 | N31 | C30 | 126.5° | 120.6° |
| C33 | N31 | C32 | 122.3° | 120.6° |
| C02 | C03 | C04 | 121.6° | 120.0° |
| C02 | C03 | C08 | 120.1° | 119.9° |
| C03 | C02 | H4 | 108.5° | 109.5° |
| C03 | C02 | H5 | 108.5° | 109.5° |
| N31 | C30 | C29 | 110.9° | 108.8° |
| C30 | N31 | C32 | 111.2° | 118.8° |
| N31 | C30 | H29 | 109.1° | 109.6° |
| N31 | C30 | H30 | 109.1° | 109.6° |
| C30 | C29 | C28 | 110.9° | 109.3° |
| C30 | C29 | H27 | 109.1° | 109.5° |
| C30 | C29 | H28 | 109.1° | 109.5° |
| C29 | C30 | H29 | 109.1° | 109.6° |
| C29 | C30 | H30 | 109.1° | 109.6° |
| N31 | C32 | C26 | 111.6° | 108.8° |
| N31 | C32 | H31 | 108.9° | 109.6° |
| N31 | C32 | H32 | 109.0° | 109.6° |
| C29 | C28 | C26 | 111.0° | 109.6° |
| C29 | C28 | H25 | 109.1° | 109.4° |
| C29 | C28 | H26 | 109.1° | 109.5° |
| C28 | C29 | H27 | 109.1° | 109.6° |
| C28 | C29 | H28 | 109.1° | 109.5° |
| C04 | C03 | C08 | 118.3° | 120.1° |
| C03 | C04 | C05 | 120.7° | 120.3° |
| C03 | C04 | H6 | 119.6° | 119.8° |
| C03 | C08 | C07 | 122.0° | 119.9° |
| C03 | C08 | H9 | 119.0° | 120.1° |
| C32 | C26 | C28 | 106.9° | 109.3° |
| C32 | C26 | C16 | 112.1° | 109.5° |
| C32 | C26 | H24 | 106.0° | 109.5° |
| C26 | C32 | H31 | 108.9° | 109.6° |
| C26 | C32 | H32 | 108.9° | 109.5° |
| C04 | C05 | C06 | 120.2° | 120.1° |
| C05 | C04 | H6 | 119.6° | 119.9° |
| C04 | C05 | H7 | 119.9° | 120.0° |
| C08 | C07 | C06 | 118.6° | 119.8° |
| C08 | C07 | C09 | 120.1° | 120.1° |
| C07 | C08 | H9 | 119.0° | 120.1° |
| C28 | C26 | C16 | 117.6° | 109.5° |
| C28 | C26 | H24 | 107.3° | 109.5° |
| C26 | C28 | H25 | 109.1° | 109.5° |
| C26 | C28 | H26 | 109.1° | 109.4° |
| C26 | C16 | C18 | 115.4° | 109.4° |
| C26 | C16 | O17 | 96.4° | 109.4° |
| C26 | C16 | C15 | 111.1° | 109.5° |
| C16 | C26 | H24 | 106.3° | 109.5° |
| C05 | C06 | C07 | 120.2° | 119.9° |
| C06 | C05 | H7 | 119.9° | 120.0° |
| C05 | C06 | H8 | 119.9° | 120.0° |
| C06 | C07 | C09 | 121.3° | 120.1° |
| C07 | C06 | H8 | 119.9° | 120.1° |
| C07 | C09 | C15 | 123.7° | 120.1° |
| C07 | C09 | C10 | 118.4° | 120.1° |
| C18 | C16 | O17 | 107.0° | 109.5° |
| C18 | C16 | C15 | 115.5° | 109.5° |
| C16 | C18 | C19 | 116.1° | 109.4° |
| C16 | C18 | H14 | 107.8° | 109.5° |
| C16 | C18 | H15 | 107.8° | 109.5° |
| O17 | C16 | C15 | 109.5° | 109.5° |
| C16 | O17 | H13 | 109.5° | 114.1° |
| C16 | C15 | C09 | 122.1° | 120.1° |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C18 | C19 | C20 | 112.4° | 109.5° |
| C19 | C18 | H14 | 107.8° | 109.5° |
| C19 | C18 | H15 | 107.8° | 109.5° |
| C18 | C19 | H16 | 108.8° | 109.5° |
| C18 | C19 | H17 | 108.7° | 109.5° |
| C15 | C09 | C10 | 117.9° | 119.8° |
| C09 | C15 | C14 | 118.1° | 119.9° |
| C09 | C10 | F11 | 117.8° | 120.1° |
| C09 | C10 | C12 | 123.8° | 119.8° |
| C15 | C14 | C13 | 121.3° | 120.2° |
| C15 | C14 | H12 | 119.3° | 119.9° |
| F11 | C10 | C12 | 118.4° | 120.1° |
| C10 | C12 | C13 | 118.1° | 120.1° |
| C10 | C12 | H10 | 120.9° | 120.0° |
| C19 | C20 | N21 | 110.9° | 109.5° |
| C20 | C19 | H16 | 108.7° | 109.5° |
| C20 | C19 | H17 | 108.7° | 109.4° |
| C19 | C20 | H18 | 109.1° | 109.5° |
| C19 | C20 | H19 | 109.1° | 109.5° |
| C20 | N21 | C22 | 122.4° | 120.0° |
| N21 | C20 | H18 | 109.1° | 109.5° |
| N21 | C20 | H19 | 109.1° | 109.4° |
| C20 | N21 | H20 | 118.8° | 120.0° |
| C14 | C13 | C12 | 120.7° | 120.3° |
| C14 | C13 | H11 | 119.7° | 119.9° |
| C13 | C14 | H12 | 119.3° | 119.9° |
| C13 | C12 | H10 | 120.9° | 119.9° |
| C12 | C13 | H11 | 119.7° | 119.9° |
| N21 | C22 | O23 | 124.8° | 120.0° |
| N21 | C22 | O24 | 110.7° | 120.0° |
| C22 | N21 | H20 | 118.8° | 120.0° |
| O23 | C22 | O24 | 124.5° | 120.0° |
| C22 | O24 | C25 | 116.2° | 117.0° |
| O24 | C25 | H21 | 109.5° | 109.5° |
| O24 | C25 | H22 | 109.4° | 109.5° |
| O24 | C25 | H23 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.4° |
| H21 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H27 | C29 | H28 | 109.4° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.7° |
| H31 | C32 | H32 | 109.5° | 109.7° |
| H33 | C35 | H34 | 109.4° | 109.6° |
| H35 | C36 | H36 | 109.5° | 109.4° |
| H37 | C37 | H38 | 109.5° | 109.5° |
| H41 | C39 | H42 | 109.4° | 109.4° |
| H41 | C39 | H43 | 109.4° | 109.4° |
| H42 | C39 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | N38 | C37 | H39 | 120.3° | 124.0° |
| C39 | N38 | C37 | C36 | 84.8° | 180.0° |
| C39 | N38 | C37 | H37 | 154.7° | 60.0° |
| C39 | N38 | C37 | H38 | 35.6° | 60.0° |
| N38 | C39 | H41 | H42 | 120.0° | 120.0° |
| N38 | C39 | H41 | H43 | 120.0° | 120.0° |
| N38 | C39 | H42 | H43 | 120.0° | 120.0° |
| N38 | C37 | C36 | H37 | 120.5° | 120.0° |
| N38 | C37 | C36 | H38 | 120.4° | 120.0° |
| N38 | C37 | C36 | C35 | 174.7° | 180.0° |
| N38 | C37 | C36 | H35 | 54.2° | 60.0° |
| N38 | C37 | C36 | H36 | 64.7° | 60.0° |
| N38 | C37 | H37 | H38 | 118.6° | 120.0° |
| C37 | N38 | C39 | H41 | 180.0° | 180.0° |
| C37 | N38 | C39 | H42 | 60.0° | 60.0° |
| C37 | N38 | C39 | H43 | 60.0° | 60.0° |
| C37 | C36 | C35 | H35 | 120.5° | 120.0° |
| C37 | C36 | C35 | H36 | 120.6° | 120.0° |
| C37 | C36 | C35 | C33 | 177.5° | 180.0° |
| C37 | C36 | C35 | H33 | 62.0° | 60.0° |
| C37 | C36 | C35 | H34 | 57.0° | 60.1° |
| C37 | C36 | H35 | H36 | 118.4° | 119.9° |
| C36 | C37 | H37 | H38 | 118.7° | 119.9° |
| C36 | C37 | N38 | H39 | 35.4° | 56.1° |
| C36 | C35 | C33 | H33 | 120.5° | 120.0° |
| C36 | C35 | C33 | H34 | 120.5° | 119.9° |
| C36 | C35 | C33 | O34 | 0.7° | 0.0° |
| C36 | C35 | C33 | N31 | 179.5° | 179.9° |
| C36 | C35 | H33 | H34 | 118.4° | 120.0° |
| C35 | C36 | H35 | H36 | 118.4° | 120.0° |
| C35 | C36 | C37 | H37 | 64.8° | 59.9° |
| C35 | C36 | C37 | H38 | 54.3° | 60.0° |
| C35 | C33 | O34 | N31 | 179.8° | 179.9° |
| C35 | C33 | N31 | C30 | 1.2° | 0.1° |
| C35 | C33 | N31 | C32 | 179.2° | 180.0° |
| C33 | C35 | H33 | H34 | 118.4° | 120.0° |
| C33 | C35 | C36 | H35 | 57.0° | 60.0° |
| C33 | C35 | C36 | H36 | 61.9° | 60.0° |
| C01 | C02 | C03 | H4 | 120.5° | 120.0° |
| C01 | C02 | C03 | H5 | 120.6° | 120.0° |
| C01 | C02 | C03 | C04 | 82.6° | 90.0° |
| C01 | C02 | C03 | C08 | 98.1° | 90.3° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.3° | 120.0° |
| O34 | C33 | N31 | C30 | 179.0° | 180.0° |
| O34 | C33 | N31 | C32 | 1.0° | 0.1° |
| O34 | C33 | C35 | H33 | 119.9° | 120.0° |
| O34 | C33 | C35 | H34 | 121.2° | 119.9° |
| C33 | N31 | C30 | C32 | 178.2° | 179.9° |
| C33 | N31 | C30 | C29 | 123.5° | 126.5° |
| C33 | N31 | C32 | C26 | 125.2° | 126.5° |
| C33 | N31 | C30 | H29 | 3.2° | 113.8° |
| C33 | N31 | C30 | H30 | 116.3° | 6.6° |
| C33 | N31 | C32 | H31 | 114.5° | 6.6° |
| C33 | N31 | C32 | H32 | 4.9° | 113.8° |
| N31 | C33 | C35 | H33 | 59.9° | 60.1° |
| N31 | C33 | C35 | H34 | 59.0° | 60.0° |
| C02 | C03 | C04 | C08 | 179.3° | 179.7° |
| C02 | C03 | C04 | C05 | 179.6° | 180.0° |
| C02 | C03 | C08 | C07 | 179.8° | 179.8° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.2° | 120.0° |
| C02 | C03 | C04 | H6 | 0.4° | 0.0° |
| C02 | C03 | C08 | H9 | 0.1° | 0.0° |
| N31 | C30 | C29 | H29 | 120.2° | 119.8° |
| N31 | C30 | C29 | H30 | 120.2° | 119.8° |
| N31 | C30 | C29 | C28 | 59.1° | 54.6° |
| C30 | N31 | C32 | C26 | 56.5° | 53.6° |
| N31 | C30 | C29 | H27 | 61.1° | 174.6° |
| N31 | C30 | C29 | H28 | 179.3° | 65.3° |
| N31 | C30 | H29 | H30 | 119.3° | 120.4° |
| C30 | N31 | C32 | H31 | 63.8° | 173.4° |
| C30 | N31 | C32 | H32 | 176.8° | 66.2° |
| C29 | C30 | N31 | C32 | 58.3° | 53.6° |
| C30 | C29 | C28 | H27 | 120.2° | 120.0° |
| C30 | C29 | C28 | H28 | 120.2° | 119.9° |
| C30 | C29 | C28 | C26 | 60.4° | 61.4° |
| C30 | C29 | C28 | H25 | 179.4° | 58.7° |
| C30 | C29 | C28 | H26 | 59.8° | 178.7° |
| C30 | C29 | H27 | H28 | 119.3° | 120.0° |
| C29 | C30 | H29 | H30 | 119.3° | 120.4° |
| N31 | C32 | C26 | H31 | 120.3° | 119.8° |
| N31 | C32 | C26 | H32 | 120.3° | 119.8° |
| N31 | C32 | C26 | C28 | 55.4° | 54.6° |
| N31 | C32 | C26 | C16 | 174.4° | 174.6° |
| N31 | C32 | C26 | H24 | 58.8° | 65.4° |
| C32 | N31 | C30 | H29 | 178.5° | 66.2° |
| C32 | N31 | C30 | H30 | 62.0° | 173.4° |
| N31 | C32 | H31 | H32 | 119.1° | 120.4° |
| C29 | C28 | C26 | C32 | 55.9° | 61.3° |
| C29 | C28 | C26 | H25 | 120.2° | 120.0° |
| C29 | C28 | C26 | H26 | 120.2° | 120.0° |
| C29 | C28 | C26 | C16 | 177.1° | 178.7° |
| C29 | C28 | C26 | H24 | 57.4° | 58.6° |
| C29 | C28 | H25 | H26 | 119.3° | 120.0° |
| C28 | C29 | H27 | H28 | 119.4° | 120.1° |
| C28 | C29 | C30 | H29 | 179.3° | 65.2° |
| C28 | C29 | C30 | H30 | 61.1° | 174.4° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C04 | C03 | C08 | C07 | 0.8° | 0.5° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C02 | H4 | 38.0° | 30.0° |
| C04 | C03 | C02 | H5 | 156.8° | 150.0° |
| C03 | C04 | C05 | H7 | 179.9° | 180.0° |
| C04 | C03 | C08 | H9 | 179.2° | 179.7° |
| C08 | C03 | C04 | C05 | 0.3° | 0.3° |
| C03 | C08 | C07 | H9 | 180.0° | 179.8° |
| C03 | C08 | C07 | C06 | 0.9° | 0.5° |
| C03 | C08 | C07 | C09 | 179.2° | 179.7° |
| C08 | C03 | C02 | H4 | 141.4° | 149.7° |
| C08 | C03 | C02 | H5 | 22.5° | 29.7° |
| C08 | C03 | C04 | H6 | 179.7° | 179.7° |
| C32 | C26 | C28 | C16 | 127.0° | 120.0° |
| C32 | C26 | C28 | H24 | 113.3° | 119.9° |
| C32 | C26 | C16 | H24 | 115.3° | 120.0° |
| C32 | C26 | C16 | C18 | 50.5° | 177.2° |
| C32 | C26 | C16 | O17 | 61.7° | 62.8° |
| C32 | C26 | C16 | C15 | 175.5° | 57.2° |
| C32 | C26 | C28 | H25 | 176.1° | 58.7° |
| C32 | C26 | C28 | H26 | 64.3° | 178.6° |
| C26 | C32 | H31 | H32 | 119.0° | 120.3° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C04 | C05 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.2° |
| C08 | C07 | C06 | C09 | 179.9° | 179.8° |
| C08 | C07 | C09 | C15 | 73.9° | 102.9° |
| C08 | C07 | C09 | C10 | 104.9° | 77.4° |
| C08 | C07 | C06 | H8 | 179.5° | 179.7° |
| C28 | C26 | C16 | H24 | 120.2° | 120.1° |
| C28 | C26 | C16 | C18 | 175.0° | 57.4° |
| C28 | C26 | C16 | O17 | 62.7° | 177.3° |
| C28 | C26 | C16 | C15 | 51.0° | 62.7° |
| C26 | C28 | H25 | H26 | 119.3° | 119.9° |
| C26 | C28 | C29 | H27 | 59.8° | 178.7° |
| C26 | C28 | C29 | H28 | 179.4° | 58.6° |
| C28 | C26 | C32 | H31 | 64.9° | 174.4° |
| C28 | C26 | C32 | H32 | 175.7° | 65.2° |
| C26 | C16 | C18 | O17 | 105.9° | 120.0° |
| C26 | C16 | C18 | C15 | 131.9° | 120.0° |
| C26 | C16 | O17 | C15 | 115.0° | 120.0° |
| C26 | C16 | C18 | C19 | 175.8° | NaN° |
| C26 | C16 | C15 | C09 | 83.8° | 96.0° |
| C26 | C16 | C15 | C14 | 96.2° | 83.6° |
| C26 | C16 | O17 | H13 | 180.0° | 60.0° |
| C26 | C16 | C18 | H14 | 63.2° | 60.0° |
| C26 | C16 | C18 | H15 | 54.9° | 60.0° |
| C16 | C26 | C28 | H25 | 56.8° | 61.3° |
| C16 | C26 | C28 | H26 | 62.7° | 58.7° |
| C16 | C26 | C32 | H31 | 65.3° | 65.6° |
| C16 | C26 | C32 | H32 | 54.0° | 54.8° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C05 | C06 | C07 | C09 | 179.6° | 180.0° |
| C06 | C05 | C04 | H6 | 179.8° | 180.0° |
| C06 | C07 | C09 | C15 | 106.2° | 76.9° |
| C06 | C07 | C09 | C10 | 75.1° | 102.8° |
| C07 | C06 | C05 | H7 | 180.0° | 180.0° |
| C06 | C07 | C08 | H9 | 179.1° | 179.7° |
| C07 | C09 | C15 | C16 | 0.6° | 0.0° |
| C07 | C09 | C15 | C10 | 178.7° | 179.7° |
| C07 | C09 | C15 | C14 | 179.3° | 179.7° |
| C07 | C09 | C10 | F11 | 0.7° | 0.1° |
| C07 | C09 | C10 | C12 | 179.4° | 180.0° |
| C09 | C07 | C06 | H8 | 0.4° | 0.0° |
| C09 | C07 | C08 | H9 | 0.8° | 0.0° |
| C18 | C16 | O17 | C15 | 125.9° | 120.0° |
| C16 | C18 | C19 | H14 | 121.0° | 120.0° |
| C16 | C18 | C19 | H15 | 120.9° | 120.0° |
| C18 | C16 | C15 | C09 | 50.1° | 144.0° |
| C18 | C16 | C15 | C14 | 129.9° | 36.3° |
| C16 | C18 | C19 | C20 | 174.5° | 180.0° |
| C18 | C16 | O17 | H13 | 61.0° | 59.9° |
| C16 | C18 | H14 | H15 | 117.0° | 120.1° |
| C16 | C18 | C19 | H16 | 54.0° | 60.0° |
| C16 | C18 | C19 | H17 | 65.1° | 60.0° |
| C18 | C16 | C26 | H24 | 64.8° | 62.8° |
| O17 | C16 | C18 | C19 | 78.2° | 60.0° |
| O17 | C16 | C15 | C09 | 171.0° | 24.0° |
| O17 | C16 | C15 | C14 | 9.1° | 156.4° |
| O17 | C16 | C18 | H14 | 42.7° | 59.9° |
| O17 | C16 | C18 | H15 | 160.8° | 180.0° |
| O17 | C16 | C26 | H24 | 177.1° | 57.2° |
| C15 | C16 | C18 | C19 | 43.9° | 60.0° |
| C16 | C15 | C09 | C14 | 179.9° | 179.7° |
| C16 | C15 | C09 | C10 | 179.4° | 179.7° |
| C16 | C15 | C14 | C13 | 179.7° | 179.7° |
| C16 | C15 | C14 | H12 | 0.3° | 0.1° |
| C15 | C16 | O17 | H13 | 64.9° | 180.0° |
| C15 | C16 | C18 | H14 | 164.9° | 180.0° |
| C15 | C16 | C18 | H15 | 77.0° | 60.0° |
| C15 | C16 | C26 | H24 | 69.2° | 177.2° |
| C18 | C19 | C20 | H16 | 120.4° | 120.0° |
| C18 | C19 | C20 | H17 | 120.4° | 120.0° |
| C18 | C19 | C20 | N21 | 170.8° | 180.0° |
| C19 | C18 | H14 | H15 | 117.0° | 120.0° |
| C18 | C19 | H16 | H17 | 118.7° | 120.1° |
| C18 | C19 | C20 | H18 | 69.0° | 60.0° |
| C18 | C19 | C20 | H19 | 50.6° | 60.0° |
| C15 | C09 | C10 | F11 | 179.6° | 179.8° |
| C15 | C09 | C10 | C12 | 0.6° | 0.3° |
| C09 | C15 | C14 | C13 | 0.2° | 0.6° |
| C09 | C15 | C14 | H12 | 179.8° | 179.7° |
| C10 | C09 | C15 | C14 | 0.6° | 0.6° |
| C09 | C10 | F11 | C12 | 179.8° | 179.9° |
| C09 | C10 | C12 | C13 | 0.3° | 0.1° |
| C09 | C10 | C12 | H10 | 179.7° | 180.0° |
| C15 | C14 | C13 | H12 | 180.0° | 179.6° |
| C15 | C14 | C13 | C12 | 0.1° | 0.4° |
| C15 | C14 | C13 | H11 | 179.8° | 179.7° |
| F11 | C10 | C12 | C13 | 179.9° | 180.0° |
| F11 | C10 | C12 | H10 | 0.1° | 0.1° |
| C10 | C12 | C13 | C14 | 0.1° | 0.2° |
| C10 | C12 | C13 | H10 | 180.0° | 179.9° |
| C10 | C12 | C13 | H11 | 179.8° | 180.0° |
| C19 | C20 | N21 | H18 | 120.2° | 120.0° |
| C19 | C20 | N21 | H19 | 120.2° | 120.0° |
| C19 | C20 | N21 | C22 | 109.4° | 180.0° |
| C20 | C19 | C18 | H14 | 64.6° | 60.0° |
| C20 | C19 | C18 | H15 | 53.5° | 60.0° |
| C20 | C19 | H16 | H17 | 118.7° | 120.0° |
| C19 | C20 | H18 | H19 | 119.3° | 120.0° |
| C19 | C20 | N21 | H20 | 70.6° | 0.1° |
| C20 | N21 | C22 | H20 | 180.0° | 179.9° |
| C20 | N21 | C22 | O23 | 18.9° | 0.1° |
| C20 | N21 | C22 | O24 | 161.7° | 180.0° |
| N21 | C20 | C19 | H16 | 50.4° | 60.0° |
| N21 | C20 | C19 | H17 | 68.7° | 60.0° |
| N21 | C20 | H18 | H19 | 119.4° | 120.0° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | H10 | 179.9° | 180.0° |
| C12 | C13 | C14 | H12 | 179.9° | 179.9° |
| N21 | C22 | O23 | O24 | 179.3° | 180.0° |
| N21 | C22 | O24 | C25 | 174.9° | 179.9° |
| C22 | N21 | C20 | H18 | 10.8° | 60.0° |
| C22 | N21 | C20 | H19 | 130.4° | 60.0° |
| O23 | C22 | O24 | C25 | 5.7° | 0.1° |
| O23 | C22 | N21 | H20 | 161.1° | 180.0° |
| O24 | C22 | N21 | H20 | 18.3° | 0.0° |
| C22 | O24 | C25 | H21 | 180.0° | 60.0° |
| C22 | O24 | C25 | H22 | 60.0° | 59.9° |
| C22 | O24 | C25 | H23 | 60.0° | 180.0° |
| O24 | C25 | H21 | H22 | 120.0° | 120.0° |
| O24 | C25 | H21 | H23 | 120.0° | 120.0° |
| O24 | C25 | H22 | H23 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.4° | 180.0° |
| H1 | C01 | C02 | H5 | 59.4° | 60.0° |
| H2 | C01 | C02 | H4 | 60.5° | 60.0° |
| H2 | C01 | C02 | H5 | 179.4° | 60.0° |
| H3 | C01 | C02 | H4 | 179.4° | 59.9° |
| H3 | C01 | C02 | H5 | 60.5° | 180.0° |
| H6 | C04 | C05 | H7 | 0.2° | 0.0° |
| H7 | C05 | C06 | H8 | 0.0° | 0.0° |
| H10 | C12 | C13 | H11 | 0.2° | 0.1° |
| H11 | C13 | C14 | H12 | 0.2° | 0.1° |
| H14 | C18 | C19 | H16 | 175.0° | 180.0° |
| H14 | C18 | C19 | H17 | 55.9° | 60.0° |
| H15 | C18 | C19 | H16 | 66.9° | 60.0° |
| H15 | C18 | C19 | H17 | 174.0° | 180.0° |
| H16 | C19 | C20 | H18 | 170.6° | 180.0° |
| H16 | C19 | C20 | H19 | 69.8° | 60.0° |
| H17 | C19 | C20 | H18 | 51.5° | 60.0° |
| H17 | C19 | C20 | H19 | 171.0° | 180.0° |
| H18 | C20 | N21 | H20 | 169.2° | 120.0° |
| H19 | C20 | N21 | H20 | 49.6° | 120.1° |
| H21 | C25 | H22 | H23 | 120.0° | 120.0° |
| H24 | C26 | C28 | H25 | 62.8° | 178.6° |
| H24 | C26 | C28 | H26 | 177.6° | 61.5° |
| H24 | C26 | C32 | H31 | 179.1° | 54.5° |
| H24 | C26 | C32 | H32 | 61.5° | 174.8° |
| H25 | C28 | C29 | H27 | 60.4° | 61.3° |
| H25 | C28 | C29 | H28 | 59.2° | 178.6° |
| H26 | C28 | C29 | H27 | 179.9° | 58.7° |
| H26 | C28 | C29 | H28 | 60.4° | 61.4° |
| H27 | C29 | C30 | H29 | 59.1° | 54.9° |
| H27 | C29 | C30 | H30 | 178.6° | 65.5° |
| H28 | C29 | C30 | H29 | 60.4° | 174.9° |
| H28 | C29 | C30 | H30 | 59.1° | 54.5° |
| H33 | C35 | C36 | H35 | 177.5° | 179.9° |
| H33 | C35 | C36 | H36 | 58.6° | 59.9° |
| H34 | C35 | C36 | H35 | 63.5° | 59.9° |
| H34 | C35 | C36 | H36 | 177.5° | 179.9° |
| H35 | C36 | C37 | H37 | 174.7° | 180.0° |
| H35 | C36 | C37 | H38 | 66.2° | 60.1° |
| H36 | C36 | C37 | H37 | 55.7° | 60.1° |
| H36 | C36 | C37 | H38 | 174.8° | 180.0° |
| H37 | C37 | N38 | H39 | 85.0° | 63.9° |
| H38 | C37 | N38 | H39 | 155.9° | 176.0° |
| H39 | N38 | C39 | H41 | 59.7° | 56.0° |
| H39 | N38 | C39 | H42 | 60.2° | 64.0° |
| H39 | N38 | C39 | H43 | 179.7° | 176.0° |
| H41 | C39 | H42 | H43 | 120.0° | 119.9° |
