6IK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.51Å | 1.55Å | |
| C10 | N11 | sing | 1.47Å | 1.11Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.54Å | 1.53Å | |
| C20 | C16 | sing | 1.53Å | 1.44Å | |
| C20 | N11 | sing | 1.48Å | 1.40Å | |
| C21 | C22 | doub | 1.38Å | 1.54Å | Aromatic |
| C21 | C09 | sing | 1.38Å | 1.54Å | Aromatic |
| C22 | C06 | sing | 1.40Å | 1.54Å | Aromatic |
| C24 | C02 | sing | 1.53Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | N28 | sing | 1.47Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.59Å | |
| C02 | C27 | sing | 1.53Å | 1.55Å | |
| C02 | O01 | sing | 1.43Å | 1.41Å | |
| C03 | N04 | sing | 1.46Å | 1.47Å | |
| C05 | C06 | sing | 1.48Å | 1.54Å | |
| C05 | N04 | sing | 1.35Å | 1.47Å | |
| C05 | O23 | doub | 1.22Å | 1.19Å | |
| C06 | C07 | doub | 1.40Å | 1.53Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.52Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.52Å | Aromatic |
| C12 | C16 | sing | 1.53Å | 1.40Å | |
| C12 | N11 | sing | 1.48Å | 1.43Å | |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C27 | N28 | sing | 1.47Å | 1.53Å | |
| C29 | C42 | doub | 1.39Å | 1.49Å | Aromatic |
| C29 | N28 | sing | 1.39Å | 1.47Å | |
| C29 | N30 | sing | 1.33Å | 1.45Å | Aromatic |
| C31 | N30 | doub | 1.32Å | 1.49Å | Aromatic |
| C31 | N32 | sing | 1.32Å | 1.49Å | Aromatic |
| C33 | C42 | sing | 1.39Å | 1.50Å | Aromatic |
| C33 | N32 | doub | 1.33Å | 1.45Å | Aromatic |
| C33 | N34 | sing | 1.39Å | 1.45Å | |
| C35 | C36 | sing | 1.51Å | 1.54Å | |
| C35 | N34 | sing | 1.46Å | 1.47Å | |
| C36 | C37 | doub | 1.38Å | 1.53Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.53Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.53Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.53Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.54Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.52Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.08Å | 1.08Å | |
| C08 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å | |
| C39 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | H37 | sing | 1.08Å | 1.08Å | |
| C41 | H38 | sing | 1.08Å | 1.08Å | |
| C42 | H39 | sing | 1.08Å | 1.08Å | |
| N04 | H40 | sing | 0.97Å | 1.00Å | |
| N34 | H42 | sing | 0.97Å | 1.00Å | |
| O01 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | N11 | 109.3° | 109.5° |
| C10 | C09 | C21 | 123.1° | 119.9° |
| C10 | C09 | C08 | 117.5° | 119.9° |
| C09 | C10 | H1 | 109.5° | 109.4° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C10 | N11 | C20 | 115.6° | 111.0° |
| C10 | N11 | C12 | 108.9° | 111.0° |
| N11 | C10 | H1 | 109.5° | 109.5° |
| N11 | C10 | H2 | 109.5° | 109.4° |
| C15 | C13 | C12 | 132.6° | 117.5° |
| C15 | C13 | C14 | 60.1° | 60.0° |
| C13 | C15 | C14 | 60.2° | 60.0° |
| C15 | C13 | H3 | 110.1° | 117.5° |
| C13 | C15 | H4 | 120.0° | 117.5° |
| C13 | C15 | H5 | 120.0° | 117.5° |
| C12 | C13 | C14 | 125.2° | 117.5° |
| C13 | C12 | C16 | 114.0° | 113.8° |
| C13 | C12 | N11 | 109.6° | 113.8° |
| C12 | C13 | H3 | 109.8° | 115.5° |
| C13 | C12 | H20 | 112.6° | 113.0° |
| C13 | C14 | C15 | 59.7° | 60.0° |
| C14 | C13 | H3 | 110.0° | 117.6° |
| C13 | C14 | H21 | 120.1° | 117.4° |
| C13 | C14 | H22 | 120.0° | 117.5° |
| C14 | C15 | H4 | 120.0° | 117.5° |
| C14 | C15 | H5 | 120.0° | 117.5° |
| C15 | C14 | H21 | 120.1° | 117.4° |
| C15 | C14 | H22 | 120.1° | 117.5° |
| C16 | C17 | C18 | 89.0° | 86.7° |
| C17 | C16 | C20 | 110.1° | 121.3° |
| C17 | C16 | C12 | 145.4° | 121.3° |
| C17 | C16 | C19 | 88.6° | 88.2° |
| C16 | C17 | H6 | 114.3° | 113.7° |
| C16 | C17 | H7 | 114.3° | 113.7° |
| C17 | C18 | C19 | 89.0° | 87.3° |
| C18 | C17 | H6 | 114.3° | 113.7° |
| C18 | C17 | H7 | 114.3° | 113.7° |
| C17 | C18 | H23 | 114.3° | 113.6° |
| C17 | C18 | H24 | 114.3° | 113.5° |
| C16 | C20 | N11 | 87.8° | 85.8° |
| C20 | C16 | C12 | 86.7° | 87.4° |
| C20 | C16 | C19 | 120.5° | 121.3° |
| C16 | C20 | H8 | 114.6° | 113.8° |
| C16 | C20 | H9 | 114.6° | 113.8° |
| C20 | N11 | C12 | 87.1° | 91.0° |
| N11 | C20 | H8 | 114.6° | 113.9° |
| N11 | C20 | H9 | 114.6° | 113.8° |
| C22 | C21 | C09 | 120.0° | 120.2° |
| C21 | C22 | C06 | 119.5° | 119.8° |
| C22 | C21 | H10 | 120.0° | 119.9° |
| C21 | C22 | H11 | 120.3° | 120.0° |
| C21 | C09 | C08 | 119.4° | 120.2° |
| C09 | C21 | H10 | 120.0° | 119.9° |
| C22 | C06 | C05 | 122.6° | 120.1° |
| C22 | C06 | C07 | 120.2° | 119.7° |
| C06 | C22 | H11 | 120.3° | 120.1° |
| C02 | C24 | C25 | 116.1° | 109.2° |
| C24 | C02 | C03 | 109.1° | 109.5° |
| C24 | C02 | C27 | 112.8° | 109.3° |
| C24 | C02 | O01 | 110.3° | 109.5° |
| C02 | C24 | H12 | 107.8° | 109.6° |
| C02 | C24 | H13 | 107.8° | 109.5° |
| C24 | C25 | C26 | 117.8° | 109.2° |
| C25 | C24 | H12 | 107.8° | 109.5° |
| C25 | C24 | H13 | 107.8° | 109.5° |
| C24 | C25 | H27 | 107.3° | 109.5° |
| C24 | C25 | H28 | 107.4° | 109.5° |
| C25 | C26 | N28 | 117.2° | 109.6° |
| C25 | C26 | H14 | 107.5° | 109.4° |
| C25 | C26 | H15 | 107.5° | 109.4° |
| C26 | C25 | H27 | 107.4° | 109.6° |
| C26 | C25 | H28 | 107.4° | 109.5° |
| C26 | N28 | C27 | 114.8° | 111.2° |
| C26 | N28 | C29 | 121.9° | 111.0° |
| N28 | C26 | H14 | 107.5° | 109.5° |
| N28 | C26 | H15 | 107.5° | 109.5° |
| C03 | C02 | C27 | 109.6° | 109.5° |
| C03 | C02 | O01 | 106.3° | 109.5° |
| C02 | C03 | N04 | 113.1° | 109.5° |
| C02 | C03 | H16 | 108.6° | 109.5° |
| C02 | C03 | H17 | 108.5° | 109.4° |
| C27 | C02 | O01 | 108.4° | 109.5° |
| C02 | C27 | N28 | 112.8° | 109.5° |
| C02 | C27 | H29 | 108.7° | 109.5° |
| C02 | C27 | H30 | 108.6° | 109.5° |
| C02 | O01 | H43 | 109.5° | 114.0° |
| C03 | N04 | C05 | 119.4° | 120.0° |
| N04 | C03 | H16 | 108.5° | 109.5° |
| N04 | C03 | H17 | 108.6° | 109.4° |
| C03 | N04 | H40 | 120.3° | 120.0° |
| C06 | C05 | N04 | 119.1° | 120.0° |
| C06 | C05 | O23 | 120.9° | 120.0° |
| C05 | C06 | C07 | 117.2° | 120.2° |
| N04 | C05 | O23 | 119.9° | 120.0° |
| C05 | N04 | H40 | 120.3° | 120.0° |
| C06 | C07 | C08 | 119.8° | 119.8° |
| C06 | C07 | H18 | 120.1° | 120.1° |
| C07 | C08 | C09 | 121.1° | 120.2° |
| C08 | C07 | H18 | 120.1° | 120.0° |
| C07 | C08 | H19 | 119.5° | 119.9° |
| C09 | C08 | H19 | 119.4° | 119.9° |
| C16 | C12 | N11 | 88.4° | 85.8° |
| C12 | C16 | C19 | 109.2° | 121.3° |
| C16 | C12 | H20 | 115.3° | 113.8° |
| N11 | C12 | H20 | 114.7° | 113.9° |
| C16 | C19 | C18 | 88.8° | 86.7° |
| C16 | C19 | H25 | 114.4° | 113.6° |
| C16 | C19 | H26 | 114.4° | 113.7° |
| C19 | C18 | H23 | 114.3° | 113.7° |
| C19 | C18 | H24 | 114.3° | 113.6° |
| C18 | C19 | H25 | 114.4° | 113.7° |
| C18 | C19 | H26 | 114.3° | 113.6° |
| C27 | N28 | C29 | 121.7° | 111.0° |
| N28 | C27 | H29 | 108.6° | 109.5° |
| N28 | C27 | H30 | 108.7° | 109.4° |
| C42 | C29 | N28 | 119.3° | 120.5° |
| C42 | C29 | N30 | 120.6° | 119.0° |
| C29 | C42 | C33 | 118.7° | 118.3° |
| C29 | C42 | H39 | 120.6° | 120.9° |
| N28 | C29 | N30 | 120.1° | 120.5° |
| C29 | N30 | C31 | 120.2° | 120.9° |
| N30 | C31 | N32 | 119.9° | 121.9° |
| N30 | C31 | H31 | 120.1° | 119.0° |
| C31 | N32 | C33 | 119.5° | 120.9° |
| N32 | C31 | H31 | 120.0° | 119.1° |
| C42 | C33 | N32 | 121.1° | 119.0° |
| C42 | C33 | N34 | 117.4° | 120.5° |
| C33 | C42 | H39 | 120.6° | 120.8° |
| N32 | C33 | N34 | 121.5° | 120.4° |
| C33 | N34 | C35 | 114.7° | 120.0° |
| C33 | N34 | H42 | 108.1° | 120.0° |
| C36 | C35 | N34 | 111.0° | 109.5° |
| C35 | C36 | C37 | 119.2° | 120.0° |
| C35 | C36 | C41 | 120.2° | 120.0° |
| C36 | C35 | H32 | 109.1° | 109.5° |
| C36 | C35 | H33 | 109.1° | 109.4° |
| N34 | C35 | H32 | 109.1° | 109.5° |
| N34 | C35 | H33 | 109.1° | 109.5° |
| C35 | N34 | H42 | 108.2° | 120.0° |
| C37 | C36 | C41 | 120.6° | 120.0° |
| C36 | C37 | C38 | 119.9° | 120.0° |
| C36 | C37 | H34 | 120.0° | 120.0° |
| C36 | C41 | C40 | 119.6° | 120.0° |
| C36 | C41 | H38 | 120.2° | 120.0° |
| C37 | C38 | C39 | 119.3° | 120.0° |
| C38 | C37 | H34 | 120.0° | 120.0° |
| C37 | C38 | H35 | 120.3° | 120.0° |
| C38 | C39 | C40 | 120.7° | 120.0° |
| C39 | C38 | H35 | 120.4° | 120.0° |
| C38 | C39 | H36 | 119.7° | 120.0° |
| C39 | C40 | C41 | 119.9° | 120.0° |
| C40 | C39 | H36 | 119.7° | 119.9° |
| C39 | C40 | H37 | 120.1° | 120.1° |
| C41 | C40 | H37 | 120.1° | 120.0° |
| C40 | C41 | H38 | 120.2° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 115.6° |
| H6 | C17 | H7 | 109.5° | 112.9° |
| H8 | C20 | H9 | 109.4° | 113.1° |
| H12 | C24 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 115.6° |
| H23 | C18 | H24 | 109.5° | 112.8° |
| H25 | C19 | H26 | 109.5° | 113.0° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.4° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | N11 | H1 | 119.9° | 120.0° |
| C09 | C10 | N11 | H2 | 119.9° | 120.0° |
| C09 | C10 | N11 | C20 | 86.2° | 91.5° |
| C10 | C09 | C21 | C22 | 179.7° | 180.0° |
| C10 | C09 | C21 | C08 | 179.6° | 180.0° |
| C10 | C09 | C08 | C07 | 179.0° | 180.0° |
| C09 | C10 | N11 | C12 | 177.9° | 168.9° |
| C09 | C10 | H1 | H2 | 120.1° | 120.0° |
| C10 | C09 | C21 | H10 | 0.3° | 0.3° |
| C10 | C09 | C08 | H19 | 1.0° | 0.0° |
| C10 | N11 | C12 | C13 | 105.0° | 108.9° |
| C10 | N11 | C20 | C16 | 132.7° | 136.9° |
| C10 | N11 | C20 | C12 | 109.5° | 112.9° |
| N11 | C10 | C09 | C21 | 65.2° | 90.0° |
| N11 | C10 | C09 | C08 | 114.4° | 90.0° |
| C10 | N11 | C12 | C16 | 140.0° | 136.9° |
| N11 | C10 | H1 | H2 | 120.1° | 120.0° |
| C10 | N11 | C20 | H8 | 16.6° | 22.7° |
| C10 | N11 | C20 | H9 | 111.1° | 108.9° |
| C10 | N11 | C12 | H20 | 22.8° | 22.7° |
| C15 | C13 | C12 | C14 | 79.6° | 68.6° |
| C15 | C13 | C12 | H3 | 145.9° | 145.7° |
| C15 | C13 | C14 | H3 | 102.3° | 107.5° |
| C13 | C15 | C14 | H4 | 109.5° | 107.5° |
| C13 | C15 | C14 | H5 | 109.5° | 107.5° |
| C15 | C13 | C12 | C16 | 168.3° | 180.0° |
| C15 | C13 | C12 | N11 | 94.5° | 83.8° |
| C13 | C15 | H4 | H5 | 144.6° | 145.7° |
| C15 | C13 | C12 | H20 | 34.5° | 48.2° |
| C15 | C13 | C14 | H21 | 109.4° | 107.4° |
| C15 | C13 | C14 | H22 | 109.4° | 107.5° |
| C12 | C13 | C14 | H3 | 134.4° | 145.0° |
| C13 | C12 | C16 | C17 | 12.5° | 11.8° |
| C13 | C12 | C16 | C20 | 134.0° | 137.4° |
| C13 | C12 | N11 | C20 | 138.9° | 138.2° |
| C13 | C12 | C16 | N11 | 110.7° | 114.2° |
| C13 | C12 | C16 | H20 | 132.6° | 131.5° |
| C13 | C12 | N11 | H20 | 127.8° | 131.6° |
| C13 | C12 | C16 | C19 | 104.7° | 97.1° |
| C12 | C13 | C15 | H4 | 2.5° | 0.0° |
| C12 | C13 | C15 | H5 | 138.4° | 145.0° |
| C12 | C13 | C14 | H21 | 127.3° | 145.1° |
| C12 | C13 | C14 | H22 | 13.9° | 0.0° |
| C14 | C13 | C12 | C16 | 88.7° | 111.4° |
| C14 | C13 | C12 | N11 | 174.1° | 152.4° |
| C14 | C13 | C12 | H20 | 45.2° | 20.4° |
| C13 | C14 | H21 | H22 | 144.9° | 145.7° |
| C14 | C15 | H4 | H5 | 144.6° | 145.7° |
| C15 | C14 | H21 | H22 | 144.9° | 145.7° |
| C16 | C17 | C18 | H6 | 116.4° | 114.5° |
| C16 | C17 | C18 | H7 | 116.4° | 114.5° |
| C17 | C16 | C20 | C12 | 149.0° | 125.5° |
| C17 | C16 | C20 | C19 | 100.6° | 109.0° |
| C17 | C16 | C20 | N11 | 125.2° | 102.3° |
| C17 | C16 | C12 | C19 | 117.2° | 109.0° |
| C17 | C16 | C12 | N11 | 98.3° | 102.4° |
| C16 | C17 | C18 | C19 | 16.3° | 24.7° |
| C16 | C17 | H6 | H7 | 129.7° | 131.4° |
| C17 | C16 | C20 | H8 | 118.6° | 143.4° |
| C17 | C16 | C20 | H9 | 9.1° | 11.9° |
| C17 | C16 | C12 | H20 | 145.0° | 143.3° |
| C16 | C17 | C18 | H23 | 100.0° | 90.0° |
| C16 | C17 | C18 | H24 | 132.7° | 139.3° |
| C17 | C16 | C19 | H25 | 100.1° | 89.6° |
| C17 | C16 | C19 | H26 | 132.5° | 139.3° |
| C18 | C17 | C16 | C20 | 138.4° | 150.9° |
| C18 | C17 | C16 | C12 | 106.6° | 101.2° |
| C17 | C18 | C19 | H23 | 116.3° | 114.6° |
| C17 | C18 | C19 | H24 | 116.3° | 114.5° |
| C18 | C17 | H6 | H7 | 129.7° | 131.5° |
| C17 | C18 | H23 | H24 | 129.7° | 131.0° |
| C17 | C18 | C19 | H25 | 100.1° | 89.8° |
| C17 | C18 | C19 | H26 | 132.6° | 139.1° |
| C16 | C20 | N11 | H8 | 116.1° | 114.3° |
| C16 | C20 | N11 | H9 | 116.1° | 114.2° |
| C20 | C16 | C12 | C19 | 121.3° | 125.5° |
| C16 | C20 | N11 | C12 | 23.2° | 24.0° |
| C20 | C16 | C19 | C18 | 128.8° | 150.9° |
| C20 | C16 | C17 | H6 | 105.3° | 94.6° |
| C20 | C16 | C17 | H7 | 22.0° | 36.4° |
| C16 | C20 | H8 | H9 | 130.3° | 131.9° |
| C20 | C16 | C12 | H20 | 93.4° | 91.2° |
| C20 | C16 | C19 | H25 | 12.5° | 36.4° |
| C20 | C16 | C19 | H26 | 114.9° | 94.6° |
| N11 | C20 | C16 | C19 | 134.1° | 148.7° |
| C20 | N11 | C10 | H1 | 33.8° | 28.4° |
| C20 | N11 | C10 | H2 | 153.9° | 148.5° |
| N11 | C20 | H8 | H9 | 130.3° | 131.9° |
| C20 | N11 | C12 | H20 | 93.3° | 90.2° |
| C22 | C21 | C09 | H10 | 180.0° | 179.8° |
| C21 | C22 | C06 | H11 | 180.0° | 179.9° |
| C21 | C22 | C06 | C05 | 180.0° | 180.0° |
| C21 | C22 | C06 | C07 | 0.2° | 0.0° |
| C22 | C21 | C09 | C08 | 0.1° | 0.0° |
| C09 | C21 | C22 | C06 | 0.6° | 0.1° |
| C21 | C09 | C08 | C07 | 0.6° | 0.0° |
| C21 | C09 | C10 | H1 | 174.9° | 150.0° |
| C21 | C09 | C10 | H2 | 54.8° | 30.0° |
| C09 | C21 | C22 | H11 | 179.4° | 180.0° |
| C21 | C09 | C08 | H19 | 179.4° | 180.0° |
| C22 | C06 | C05 | C07 | 179.8° | 180.0° |
| C22 | C06 | C05 | N04 | 138.7° | 180.0° |
| C22 | C06 | C05 | O23 | 42.3° | 0.1° |
| C22 | C06 | C07 | C08 | 0.5° | 0.0° |
| C06 | C22 | C21 | H10 | 179.5° | 179.7° |
| C22 | C06 | C07 | H18 | 179.5° | 180.0° |
| C02 | C24 | C25 | H12 | 120.9° | 119.9° |
| C02 | C24 | C25 | H13 | 121.0° | 119.9° |
| C02 | C24 | C25 | C26 | 36.9° | 57.6° |
| C24 | C02 | C03 | C27 | 124.0° | 119.8° |
| C24 | C02 | C03 | O01 | 119.0° | 120.1° |
| C24 | C02 | C27 | O01 | 122.5° | 119.9° |
| C24 | C02 | C03 | N04 | 58.2° | 60.0° |
| C24 | C02 | C27 | N28 | 54.4° | 59.2° |
| C02 | C24 | H12 | H13 | 117.0° | 120.1° |
| C24 | C02 | C03 | H16 | 62.3° | 180.0° |
| C24 | C02 | C03 | H17 | 178.8° | 60.0° |
| C02 | C24 | C25 | H27 | 84.3° | 177.6° |
| C02 | C24 | C25 | H28 | 158.1° | 62.3° |
| C24 | C02 | C27 | H29 | 66.1° | 179.2° |
| C24 | C02 | C27 | H30 | 174.9° | 60.8° |
| C24 | C02 | O01 | H43 | 180.0° | 60.0° |
| C24 | C25 | C26 | H27 | 121.2° | 120.0° |
| C24 | C25 | C26 | H28 | 121.2° | 119.9° |
| C24 | C25 | C26 | N28 | 23.9° | 59.2° |
| C25 | C24 | C02 | C03 | 174.2° | 62.3° |
| C25 | C24 | C02 | C27 | 52.0° | 57.7° |
| C25 | C24 | C02 | O01 | 69.4° | 177.6° |
| C25 | C24 | H12 | H13 | 117.0° | 120.1° |
| C24 | C25 | C26 | H14 | 145.0° | 60.9° |
| C24 | C25 | C26 | H15 | 97.2° | 179.2° |
| C24 | C25 | H27 | H28 | 116.2° | 120.0° |
| C25 | C26 | N28 | H14 | 121.1° | 120.0° |
| C25 | C26 | N28 | H15 | 121.1° | 120.0° |
| C25 | C26 | N28 | C27 | 26.9° | 61.8° |
| C25 | C26 | N28 | C29 | 138.8° | 174.2° |
| C26 | C25 | C24 | H12 | 157.9° | 62.3° |
| C26 | C25 | C24 | H13 | 84.0° | 177.6° |
| C25 | C26 | H14 | H15 | 116.5° | 119.9° |
| C26 | C25 | H27 | H28 | 116.2° | 120.1° |
| C26 | N28 | C27 | C02 | 41.4° | 61.7° |
| C26 | N28 | C27 | C29 | 165.8° | 124.1° |
| C26 | N28 | C29 | C42 | 173.9° | 56.0° |
| C26 | N28 | C29 | N30 | 6.8° | 123.7° |
| N28 | C26 | H14 | H15 | 116.5° | 120.0° |
| N28 | C26 | C25 | H27 | 97.2° | 179.1° |
| N28 | C26 | C25 | H28 | 145.1° | 60.7° |
| C26 | N28 | C27 | H29 | 79.1° | 178.2° |
| C26 | N28 | C27 | H30 | 162.0° | 58.2° |
| C03 | C02 | C27 | O01 | 115.7° | 120.1° |
| C02 | C03 | N04 | H16 | 120.6° | 120.0° |
| C02 | C03 | N04 | H17 | 120.5° | 120.0° |
| C02 | C03 | N04 | C05 | 93.4° | 180.0° |
| C03 | C02 | C27 | N28 | 176.2° | 60.8° |
| C03 | C02 | C24 | H12 | 64.9° | 177.8° |
| C03 | C02 | C24 | H13 | 53.2° | 57.6° |
| C02 | C03 | H16 | H17 | 118.3° | 120.0° |
| C03 | C02 | C27 | H29 | 55.7° | 59.2° |
| C03 | C02 | C27 | H30 | 63.3° | 179.2° |
| C02 | C03 | N04 | H40 | 86.6° | 0.0° |
| C03 | C02 | O01 | H43 | 61.8° | 60.1° |
| C27 | C02 | C03 | N04 | 65.8° | 179.8° |
| C02 | C27 | N28 | H29 | 120.5° | 120.0° |
| C02 | C27 | N28 | H30 | 120.5° | 120.0° |
| C02 | C27 | N28 | C29 | 124.3° | 174.2° |
| C27 | C02 | C24 | H12 | 173.0° | 62.3° |
| C27 | C02 | C24 | H13 | 68.9° | 177.6° |
| C27 | C02 | C03 | H16 | 173.7° | 60.1° |
| C27 | C02 | C03 | H17 | 54.7° | 59.8° |
| C02 | C27 | H29 | H30 | 118.5° | 120.0° |
| C27 | C02 | O01 | H43 | 56.0° | 179.8° |
| O01 | C02 | C03 | N04 | 177.2° | 60.1° |
| O01 | C02 | C27 | N28 | 68.1° | 179.1° |
| O01 | C02 | C24 | H12 | 51.6° | 57.7° |
| O01 | C02 | C24 | H13 | 169.6° | 62.4° |
| O01 | C02 | C03 | H16 | 56.7° | 60.0° |
| O01 | C02 | C03 | H17 | 62.2° | 179.9° |
| O01 | C02 | C27 | H29 | 171.4° | 60.9° |
| O01 | C02 | C27 | H30 | 52.4° | 59.2° |
| C03 | N04 | C05 | C06 | 178.8° | 180.0° |
| C03 | N04 | C05 | H40 | 180.0° | 180.0° |
| C03 | N04 | C05 | O23 | 0.2° | 0.0° |
| N04 | C03 | H16 | H17 | 118.3° | 120.0° |
| C06 | C05 | N04 | O23 | 179.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.2° | 180.0° |
| C05 | C06 | C22 | H11 | 0.0° | 0.0° |
| C05 | C06 | C07 | H18 | 0.7° | 0.0° |
| C06 | C05 | N04 | H40 | 1.2° | 0.0° |
| N04 | C05 | C06 | C07 | 41.5° | 0.0° |
| C05 | N04 | C03 | H16 | 146.1° | 60.0° |
| C05 | N04 | C03 | H17 | 27.2° | 60.0° |
| O23 | C05 | C06 | C07 | 137.5° | 179.9° |
| O23 | C05 | N04 | H40 | 179.8° | 180.0° |
| C06 | C07 | C08 | H18 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 1.0° | 0.1° |
| C07 | C06 | C22 | H11 | 179.8° | 180.0° |
| C06 | C07 | C08 | H19 | 179.0° | 180.0° |
| C07 | C08 | C09 | H19 | 180.0° | 180.0° |
| C08 | C09 | C10 | H1 | 5.6° | 30.0° |
| C08 | C09 | C10 | H2 | 125.6° | 150.0° |
| C08 | C09 | C21 | H10 | 179.9° | 179.7° |
| C09 | C08 | C07 | H18 | 179.1° | 180.0° |
| C16 | C12 | N11 | H20 | 117.2° | 114.2° |
| C12 | C16 | C19 | C18 | 133.4° | 101.2° |
| C16 | C12 | C13 | H3 | 45.8° | 34.3° |
| C12 | C16 | C17 | H6 | 9.8° | 13.3° |
| C12 | C16 | C17 | H7 | 137.1° | 144.3° |
| C12 | C16 | C20 | H8 | 92.4° | 91.1° |
| C12 | C16 | C20 | H9 | 139.9° | 137.4° |
| C12 | C16 | C19 | H25 | 110.3° | 144.3° |
| C12 | C16 | C19 | H26 | 17.1° | 13.2° |
| N11 | C12 | C16 | C19 | 144.5° | 148.7° |
| C12 | N11 | C10 | H1 | 62.2° | 71.2° |
| C12 | N11 | C10 | H2 | 57.9° | 48.9° |
| N11 | C12 | C13 | H3 | 51.5° | 61.8° |
| C12 | N11 | C20 | H8 | 92.9° | 90.3° |
| C12 | N11 | C20 | H9 | 139.3° | 138.2° |
| C16 | C19 | C18 | H25 | 116.3° | 114.4° |
| C16 | C19 | C18 | H26 | 116.3° | 114.5° |
| C19 | C16 | C17 | H6 | 132.6° | 139.3° |
| C19 | C16 | C17 | H7 | 100.1° | 89.7° |
| C19 | C16 | C20 | H8 | 18.0° | 34.4° |
| C19 | C16 | C20 | H9 | 109.7° | 97.1° |
| C19 | C16 | C12 | H20 | 27.9° | 34.3° |
| C16 | C19 | C18 | H23 | 100.1° | 90.0° |
| C16 | C19 | C18 | H24 | 132.6° | 139.2° |
| C16 | C19 | H25 | H26 | 129.9° | 131.4° |
| C19 | C18 | C17 | H6 | 132.7° | 139.1° |
| C19 | C18 | C17 | H7 | 100.0° | 89.8° |
| C19 | C18 | H23 | H24 | 129.8° | 131.2° |
| C18 | C19 | H25 | H26 | 129.8° | 131.5° |
| C27 | N28 | C29 | C42 | 9.1° | 179.7° |
| C27 | N28 | C29 | N30 | 171.5° | 0.5° |
| C27 | N28 | C26 | H14 | 148.0° | 58.3° |
| C27 | N28 | C26 | H15 | 94.2° | 178.2° |
| N28 | C27 | H29 | H30 | 118.5° | 120.0° |
| C42 | C29 | N28 | N30 | 179.3° | 179.7° |
| C42 | C29 | N30 | C31 | 0.6° | 0.0° |
| C29 | C42 | C33 | H39 | 180.0° | 180.0° |
| C29 | C42 | C33 | N32 | 0.1° | 0.6° |
| C29 | C42 | C33 | N34 | 179.5° | 180.0° |
| N28 | C29 | N30 | C31 | 180.0° | 179.7° |
| N28 | C29 | C42 | C33 | 179.4° | 180.0° |
| C29 | N28 | C26 | H14 | 17.7° | 65.8° |
| C29 | N28 | C26 | H15 | 100.1° | 54.2° |
| C29 | N28 | C27 | H29 | 115.2° | 54.1° |
| C29 | N28 | C27 | H30 | 3.8° | 65.9° |
| N28 | C29 | C42 | H39 | 0.7° | 0.1° |
| C29 | N30 | C31 | N32 | 1.3° | 0.0° |
| N30 | C29 | C42 | C33 | 0.0° | 0.3° |
| C29 | N30 | C31 | H31 | 178.7° | 180.0° |
| N30 | C29 | C42 | H39 | 180.0° | 179.8° |
| N30 | C31 | N32 | H31 | 180.0° | 180.0° |
| N30 | C31 | N32 | C33 | 1.3° | 0.3° |
| C31 | N32 | C33 | C42 | 0.7° | 0.6° |
| C31 | N32 | C33 | N34 | 178.9° | 180.0° |
| C42 | C33 | N32 | N34 | 179.6° | 179.4° |
| C42 | C33 | N34 | C35 | 9.4° | 0.0° |
| C42 | C33 | N34 | H42 | 130.1° | 180.0° |
| N32 | C33 | N34 | C35 | 170.2° | 179.4° |
| C33 | N32 | C31 | H31 | 178.7° | 179.7° |
| N32 | C33 | C42 | H39 | 180.0° | 179.5° |
| N32 | C33 | N34 | H42 | 49.5° | 0.5° |
| C33 | N34 | C35 | C36 | 129.3° | 180.0° |
| C33 | N34 | C35 | H42 | 120.7° | 180.0° |
| C33 | N34 | C35 | H32 | 9.1° | 60.0° |
| C33 | N34 | C35 | H33 | 110.4° | 60.0° |
| N34 | C33 | C42 | H39 | 0.4° | 0.0° |
| C36 | C35 | N34 | H32 | 120.2° | 120.0° |
| C36 | C35 | N34 | H33 | 120.2° | 120.0° |
| C35 | C36 | C37 | C41 | 178.9° | 179.8° |
| C35 | C36 | C37 | C38 | 179.3° | 180.0° |
| C35 | C36 | C41 | C40 | 179.2° | 179.8° |
| C36 | C35 | H32 | H33 | 119.3° | 119.9° |
| C35 | C36 | C37 | H34 | 0.7° | 0.1° |
| C35 | C36 | C41 | H38 | 0.8° | 0.1° |
| C36 | C35 | N34 | H42 | 8.6° | 0.0° |
| N34 | C35 | C36 | C37 | 112.0° | 90.0° |
| N34 | C35 | C36 | C41 | 69.1° | 90.2° |
| N34 | C35 | H32 | H33 | 119.3° | 120.1° |
| C36 | C37 | C38 | H34 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.2° | 0.0° |
| C37 | C36 | C41 | C40 | 0.3° | 0.4° |
| C37 | C36 | C35 | H32 | 127.8° | 150.0° |
| C37 | C36 | C35 | H33 | 8.3° | 30.1° |
| C36 | C37 | C38 | H35 | 179.8° | 180.0° |
| C37 | C36 | C41 | H38 | 179.7° | 179.7° |
| C41 | C36 | C37 | C38 | 0.4° | 0.2° |
| C36 | C41 | C40 | C39 | 0.1° | 0.4° |
| C36 | C41 | C40 | H38 | 180.0° | 179.9° |
| C41 | C36 | C35 | H32 | 51.1° | 29.8° |
| C41 | C36 | C35 | H33 | 170.6° | 149.7° |
| C41 | C36 | C37 | H34 | 179.6° | 179.7° |
| C36 | C41 | C40 | H37 | 179.9° | 179.8° |
| C37 | C38 | C39 | H35 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.0° | 0.1° |
| C37 | C38 | C39 | H36 | 179.9° | 179.9° |
| C38 | C39 | C40 | H36 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.0° | 0.1° |
| C39 | C38 | C37 | H34 | 179.8° | 180.0° |
| C38 | C39 | C40 | H37 | 180.0° | 180.0° |
| C39 | C40 | C41 | H37 | 180.0° | 179.8° |
| C40 | C39 | C38 | H35 | 180.0° | 180.0° |
| C39 | C40 | C41 | H38 | 179.9° | 179.7° |
| C41 | C40 | C39 | H36 | 180.0° | 179.8° |
| H3 | C13 | C15 | H4 | 148.4° | 145.0° |
| H3 | C13 | C15 | H5 | 7.4° | 0.1° |
| H3 | C13 | C12 | H20 | 179.6° | 166.1° |
| H3 | C13 | C14 | H21 | 7.1° | 0.1° |
| H3 | C13 | C14 | H22 | 148.3° | 145.0° |
| H4 | C15 | C14 | H21 | 141.1° | 145.1° |
| H4 | C15 | C14 | H22 | 0.2° | 0.0° |
| H5 | C15 | C14 | H21 | 0.2° | 0.0° |
| H5 | C15 | C14 | H22 | 141.1° | 145.0° |
| H6 | C17 | C18 | H23 | 16.4° | 24.4° |
| H6 | C17 | C18 | H24 | 110.9° | 106.3° |
| H7 | C17 | C18 | H23 | 143.6° | 155.5° |
| H7 | C17 | C18 | H24 | 16.4° | 24.8° |
| H10 | C21 | C22 | H11 | 0.6° | 0.2° |
| H12 | C24 | C25 | H27 | 36.7° | 57.7° |
| H12 | C24 | C25 | H28 | 81.0° | 177.8° |
| H13 | C24 | C25 | H27 | 154.8° | 62.4° |
| H13 | C24 | C25 | H28 | 37.1° | 57.6° |
| H14 | C26 | C25 | H27 | 23.9° | 59.1° |
| H14 | C26 | C25 | H28 | 93.8° | 179.2° |
| H15 | C26 | C25 | H27 | 141.6° | 60.8° |
| H15 | C26 | C25 | H28 | 24.0° | 59.3° |
| H16 | C03 | N04 | H40 | 33.9° | 120.0° |
| H17 | C03 | N04 | H40 | 152.8° | 120.0° |
| H18 | C07 | C08 | H19 | 0.9° | 0.0° |
| H23 | C18 | C19 | H25 | 143.6° | 155.6° |
| H23 | C18 | C19 | H26 | 16.2° | 24.5° |
| H24 | C18 | C19 | H25 | 16.3° | 24.8° |
| H24 | C18 | C19 | H26 | 111.1° | 106.3° |
| H32 | C35 | N34 | H42 | 111.6° | 120.0° |
| H33 | C35 | N34 | H42 | 128.8° | 120.0° |
| H34 | C37 | C38 | H35 | 0.2° | 0.1° |
| H35 | C38 | C39 | H36 | 0.1° | 0.0° |
| H36 | C39 | C40 | H37 | 0.0° | 0.0° |
| H37 | C40 | C41 | H38 | 0.1° | 0.1° |
