A1CY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N30 | C22 | sing | 1.47Å | 1.45Å | |
| N30 | C31 | sing | 1.35Å | 1.35Å | |
| C22 | C20 | sing | 1.51Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C39 | C34 | sing | 1.53Å | 1.54Å | |
| N33 | C31 | sing | 1.35Å | 1.35Å | |
| N33 | C34 | sing | 1.47Å | 1.45Å | |
| C31 | O32 | doub | 1.22Å | 1.23Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C20 | O21 | doub | 1.21Å | 1.23Å | |
| C20 | N19 | sing | 1.35Å | 1.34Å | |
| N19 | C18 | sing | 1.47Å | 1.45Å | |
| O36 | C35 | doub | 1.21Å | 1.20Å | |
| C35 | O37 | sing | 1.34Å | 1.33Å | |
| O37 | C38 | sing | 1.45Å | 1.45Å | |
| C42 | C18 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.51Å | 1.53Å | |
| C43 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C16 | N15 | sing | 1.37Å | 1.34Å | |
| F01 | C02 | sing | 1.35Å | 1.36Å | |
| C13 | N12 | sing | 1.49Å | 1.46Å | |
| N15 | C07 | sing | 1.48Å | 1.46Å | |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C44 | sing | 1.39Å | 1.36Å | Aromatic |
| O11 | C10 | doub | 1.21Å | 1.23Å | |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C10 | sing | 1.37Å | 1.34Å | |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C44 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C04 | C06 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C45 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.08Å | 1.08Å | |
| C45 | H39 | sing | 1.08Å | 1.08Å | |
| N12 | H40 | sing | 0.97Å | 1.00Å | |
| N15 | H41 | sing | 0.97Å | 1.00Å | |
| N19 | H42 | sing | 0.97Å | 1.00Å | |
| N30 | H43 | sing | 0.97Å | 1.00Å | |
| N33 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C27 | 120.2° | 120.0° |
| C29 | C28 | C24 | 120.8° | 120.0° |
| C29 | C28 | H21 | 119.6° | 120.0° |
| C28 | C29 | H22 | 119.9° | 120.0° |
| C29 | C27 | C26 | 119.8° | 120.0° |
| C29 | C27 | H20 | 120.1° | 119.9° |
| C27 | C29 | H22 | 119.9° | 120.0° |
| C28 | C24 | C23 | 120.9° | 120.0° |
| C28 | C24 | C25 | 118.2° | 120.0° |
| C24 | C28 | H21 | 119.6° | 120.0° |
| C27 | C26 | C25 | 120.2° | 120.0° |
| C27 | C26 | H19 | 119.9° | 120.0° |
| C26 | C27 | H20 | 120.1° | 120.1° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | C22 | 112.7° | 109.5° |
| C24 | C23 | H16 | 108.7° | 109.5° |
| C24 | C23 | H17 | 108.7° | 109.5° |
| C24 | C25 | C26 | 120.8° | 120.0° |
| C24 | C25 | H18 | 119.6° | 120.0° |
| C23 | C22 | N30 | 111.1° | 109.5° |
| C23 | C22 | C20 | 110.2° | 109.5° |
| C23 | C22 | H15 | 107.0° | 109.5° |
| C22 | C23 | H16 | 108.6° | 109.5° |
| C22 | C23 | H17 | 108.6° | 109.5° |
| C40 | C39 | C41 | 110.8° | 109.5° |
| C40 | C39 | C34 | 111.4° | 109.5° |
| C40 | C39 | H27 | 107.6° | 109.5° |
| C39 | C40 | H28 | 109.5° | 109.5° |
| C39 | C40 | H29 | 109.5° | 109.5° |
| C39 | C40 | H30 | 109.5° | 109.4° |
| C26 | C25 | H18 | 119.6° | 120.0° |
| C25 | C26 | H19 | 119.9° | 120.0° |
| C22 | N30 | C31 | 121.6° | 119.9° |
| N30 | C22 | C20 | 113.3° | 109.4° |
| N30 | C22 | H15 | 107.9° | 109.5° |
| C22 | N30 | H43 | 119.2° | 120.0° |
| N30 | C31 | N33 | 114.4° | 120.0° |
| N30 | C31 | O32 | 122.8° | 120.0° |
| C31 | N30 | H43 | 119.2° | 120.0° |
| C22 | C20 | O21 | 122.3° | 120.0° |
| C22 | C20 | N19 | 114.1° | 120.0° |
| C20 | C22 | H15 | 107.1° | 109.5° |
| C41 | C39 | C34 | 111.7° | 109.5° |
| C41 | C39 | H27 | 107.6° | 109.5° |
| C39 | C41 | H31 | 109.5° | 109.5° |
| C39 | C41 | H32 | 109.5° | 109.5° |
| C39 | C41 | H33 | 109.5° | 109.4° |
| C39 | C34 | N33 | 111.6° | 109.5° |
| C39 | C34 | C35 | 111.8° | 109.5° |
| C39 | C34 | H23 | 107.9° | 109.5° |
| C34 | C39 | H27 | 107.4° | 109.5° |
| C31 | N33 | C34 | 121.5° | 120.0° |
| N33 | C31 | O32 | 122.8° | 120.0° |
| C31 | N33 | H44 | 119.3° | 120.0° |
| N33 | C34 | C35 | 108.3° | 109.5° |
| N33 | C34 | H23 | 109.0° | 109.4° |
| C34 | N33 | H44 | 119.2° | 120.0° |
| C34 | C35 | O36 | 123.7° | 120.0° |
| C34 | C35 | O37 | 112.4° | 120.0° |
| C35 | C34 | H23 | 108.2° | 109.5° |
| O21 | C20 | N19 | 123.5° | 120.0° |
| C20 | N19 | C18 | 124.4° | 120.0° |
| C20 | N19 | H42 | 117.8° | 120.0° |
| N19 | C18 | C42 | 112.1° | 109.5° |
| N19 | C18 | C16 | 116.4° | 109.4° |
| N19 | C18 | H14 | 105.5° | 109.5° |
| C18 | N19 | H42 | 117.8° | 120.0° |
| O36 | C35 | O37 | 123.9° | 120.0° |
| C35 | O37 | C38 | 115.2° | 117.0° |
| O37 | C38 | H24 | 109.5° | 109.5° |
| O37 | C38 | H25 | 109.5° | 109.5° |
| O37 | C38 | H26 | 109.5° | 109.5° |
| C18 | C42 | C43 | 112.3° | 109.5° |
| C42 | C18 | C16 | 112.3° | 109.4° |
| C42 | C18 | H14 | 104.7° | 109.5° |
| C18 | C42 | H34 | 108.8° | 109.5° |
| C18 | C42 | H35 | 108.8° | 109.5° |
| C42 | C43 | C14 | 116.4° | 109.5° |
| C43 | C42 | H34 | 108.8° | 109.5° |
| C43 | C42 | H35 | 108.7° | 109.5° |
| C42 | C43 | H36 | 107.7° | 109.5° |
| C42 | C43 | H37 | 107.7° | 109.5° |
| C18 | C16 | O17 | 120.3° | 120.6° |
| C18 | C16 | N15 | 116.6° | 118.8° |
| C16 | C18 | H14 | 104.7° | 109.5° |
| C43 | C14 | C13 | 113.9° | 109.5° |
| C43 | C14 | H12 | 108.4° | 109.5° |
| C43 | C14 | H13 | 108.3° | 109.5° |
| C14 | C43 | H36 | 107.7° | 109.4° |
| C14 | C43 | H37 | 107.7° | 109.5° |
| C14 | C13 | N12 | 113.2° | 108.2° |
| C14 | C13 | H10 | 108.5° | 109.7° |
| C14 | C13 | H11 | 108.5° | 109.8° |
| C13 | C14 | H12 | 108.4° | 109.4° |
| C13 | C14 | H13 | 108.4° | 109.4° |
| O17 | C16 | N15 | 123.0° | 120.6° |
| C16 | N15 | C07 | 125.0° | 115.3° |
| C16 | N15 | H41 | 117.5° | 122.4° |
| F01 | C02 | C03 | 118.3° | 120.0° |
| F01 | C02 | C44 | 118.5° | 120.0° |
| C13 | N12 | C10 | 127.3° | 113.3° |
| N12 | C13 | H10 | 108.5° | 109.7° |
| N12 | C13 | H11 | 108.5° | 109.8° |
| C13 | N12 | H40 | 116.3° | 123.3° |
| N15 | C07 | C06 | 110.6° | 109.6° |
| N15 | C07 | C08 | 110.4° | 108.6° |
| N15 | C07 | H5 | 109.6° | 109.8° |
| C07 | N15 | H41 | 117.5° | 122.3° |
| C03 | C02 | C44 | 123.2° | 120.0° |
| C02 | C03 | C04 | 119.2° | 119.9° |
| C02 | C03 | H1 | 120.4° | 120.0° |
| C02 | C44 | C45 | 117.9° | 120.0° |
| C02 | C44 | H38 | 121.1° | 120.0° |
| O11 | C10 | N12 | 121.8° | 120.9° |
| O11 | C10 | C09 | 121.5° | 120.9° |
| C03 | C04 | C06 | 121.5° | 120.0° |
| C03 | C04 | C05 | 118.1° | 120.0° |
| C04 | C03 | H1 | 120.4° | 120.0° |
| N12 | C10 | C09 | 116.6° | 118.2° |
| C10 | N12 | H40 | 116.4° | 123.4° |
| C10 | C09 | C08 | 112.9° | 109.5° |
| C10 | C09 | H8 | 108.6° | 109.5° |
| C10 | C09 | H9 | 108.6° | 109.5° |
| C44 | C45 | C05 | 120.7° | 120.0° |
| C45 | C44 | H38 | 121.0° | 120.0° |
| C44 | C45 | H39 | 119.7° | 120.0° |
| C06 | C07 | C08 | 108.7° | 109.6° |
| C07 | C06 | C04 | 116.5° | 109.5° |
| C07 | C06 | H3 | 107.7° | 109.5° |
| C07 | C06 | H4 | 107.7° | 109.4° |
| C06 | C07 | H5 | 108.7° | 109.6° |
| C07 | C08 | C09 | 113.8° | 109.5° |
| C08 | C07 | H5 | 108.7° | 109.6° |
| C07 | C08 | H6 | 108.4° | 109.4° |
| C07 | C08 | H7 | 108.4° | 109.5° |
| C06 | C04 | C05 | 120.4° | 120.0° |
| C04 | C06 | H3 | 107.7° | 109.5° |
| C04 | C06 | H4 | 107.7° | 109.5° |
| C04 | C05 | C45 | 120.9° | 120.1° |
| C04 | C05 | H2 | 119.5° | 120.0° |
| C09 | C08 | H6 | 108.4° | 109.5° |
| C09 | C08 | H7 | 108.4° | 109.4° |
| C08 | C09 | H8 | 108.6° | 109.4° |
| C08 | C09 | H9 | 108.6° | 109.5° |
| C45 | C05 | H2 | 119.6° | 119.9° |
| C05 | C45 | H39 | 119.6° | 120.0° |
| H3 | C06 | H4 | 109.4° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.4° |
| H10 | C13 | H11 | 109.5° | 109.7° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.4° |
| H24 | C38 | H25 | 109.4° | 109.5° |
| H24 | C38 | H26 | 109.4° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.4° |
| H28 | C40 | H29 | 109.5° | 109.5° |
| H28 | C40 | H30 | 109.5° | 109.4° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C41 | H32 | 109.5° | 109.5° |
| H31 | C41 | H33 | 109.5° | 109.5° |
| H32 | C41 | H33 | 109.5° | 109.4° |
| H34 | C42 | H35 | 109.5° | 109.5° |
| H36 | C43 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C27 | H22 | 180.0° | 179.4° |
| C29 | C28 | C24 | H21 | 180.0° | 179.7° |
| C28 | C29 | C27 | C26 | 0.1° | 0.3° |
| C29 | C28 | C24 | C23 | 179.8° | 179.7° |
| C29 | C28 | C24 | C25 | 0.3° | 0.6° |
| C28 | C29 | C27 | H20 | 179.9° | 179.7° |
| C27 | C29 | C28 | C24 | 0.2° | 0.6° |
| C29 | C27 | C26 | H20 | 180.0° | 180.0° |
| C29 | C27 | C26 | C25 | 0.1° | 0.0° |
| C29 | C27 | C26 | H19 | 179.9° | 179.9° |
| C27 | C29 | C28 | H21 | 179.8° | 179.7° |
| C28 | C24 | C23 | C25 | 179.5° | 179.7° |
| C28 | C24 | C23 | C22 | 73.7° | 96.3° |
| C28 | C24 | C25 | C26 | 0.4° | 0.3° |
| C28 | C24 | C23 | H16 | 46.8° | 143.6° |
| C28 | C24 | C23 | H17 | 165.9° | 23.7° |
| C28 | C24 | C25 | H18 | 179.6° | 179.7° |
| C24 | C28 | C29 | H22 | 179.8° | 180.0° |
| C27 | C26 | C25 | C24 | 0.2° | NaN° |
| C27 | C26 | C25 | H19 | 180.0° | 179.9° |
| C27 | C26 | C25 | H18 | 179.8° | 180.0° |
| C26 | C27 | C29 | H22 | 179.9° | 179.7° |
| C24 | C23 | C22 | H16 | 120.5° | 120.0° |
| C24 | C23 | C22 | H17 | 120.5° | 120.0° |
| C23 | C24 | C25 | C26 | 179.9° | 180.0° |
| C24 | C23 | C22 | N30 | 179.0° | 62.6° |
| C24 | C23 | C22 | C20 | 54.6° | 177.4° |
| C24 | C23 | C22 | H15 | 61.4° | 57.4° |
| C24 | C23 | H16 | H17 | 118.6° | 120.0° |
| C23 | C24 | C25 | H18 | 0.1° | 0.0° |
| C23 | C24 | C28 | H21 | 0.2° | 0.0° |
| C25 | C24 | C23 | C22 | 105.8° | 84.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C25 | C24 | C23 | H16 | 133.7° | 36.1° |
| C25 | C24 | C23 | H17 | 14.6° | 156.0° |
| C24 | C25 | C26 | H19 | 179.8° | 179.9° |
| C25 | C24 | C28 | H21 | 179.7° | 179.7° |
| C23 | C22 | N30 | C20 | 124.7° | 120.0° |
| C23 | C22 | N30 | H15 | 117.0° | 120.0° |
| C23 | C22 | N30 | C31 | 170.3° | 95.8° |
| C23 | C22 | C20 | H15 | 116.0° | 120.0° |
| C23 | C22 | C20 | O21 | 54.6° | 120.0° |
| C23 | C22 | C20 | N19 | 121.8° | 60.0° |
| C22 | C23 | H16 | H17 | 118.5° | 120.0° |
| C23 | C22 | N30 | H43 | 9.7° | 84.2° |
| C40 | C39 | C41 | C34 | 124.8° | 120.0° |
| C40 | C39 | C41 | H27 | 117.5° | 120.0° |
| C40 | C39 | C34 | H27 | 117.7° | 120.0° |
| C40 | C39 | C34 | N33 | 63.9° | 176.3° |
| C40 | C39 | C34 | C35 | 57.5° | 56.3° |
| C40 | C39 | C34 | H23 | 176.4° | 63.8° |
| C39 | C40 | H28 | H29 | 120.0° | 120.0° |
| C39 | C40 | H28 | H30 | 120.0° | 119.9° |
| C39 | C40 | H29 | H30 | 120.0° | 120.0° |
| C40 | C39 | C41 | H31 | 180.0° | 174.3° |
| C40 | C39 | C41 | H32 | 60.0° | 54.2° |
| C40 | C39 | C41 | H33 | 60.0° | 65.7° |
| C25 | C26 | C27 | H20 | 179.9° | 180.0° |
| C22 | N30 | C31 | H43 | 180.0° | 180.0° |
| N30 | C22 | C20 | H15 | 118.9° | 120.0° |
| C22 | N30 | C31 | N33 | 178.0° | 4.7° |
| C22 | N30 | C31 | O32 | 1.1° | 175.3° |
| N30 | C22 | C20 | O21 | 70.5° | 0.0° |
| N30 | C22 | C20 | N19 | 113.1° | 180.0° |
| N30 | C22 | C23 | H16 | 58.5° | 177.3° |
| N30 | C22 | C23 | H17 | 60.5° | 57.4° |
| C31 | N30 | C22 | C20 | 65.0° | 144.2° |
| N30 | C31 | N33 | O32 | 179.1° | 180.0° |
| N30 | C31 | N33 | C34 | 178.1° | 174.2° |
| C31 | N30 | C22 | H15 | 53.3° | 24.2° |
| N30 | C31 | N33 | H44 | 1.8° | 5.7° |
| C22 | C20 | O21 | N19 | 176.1° | 180.0° |
| C22 | C20 | N19 | C18 | 170.7° | 179.9° |
| C20 | C22 | C23 | H16 | 175.1° | 57.3° |
| C20 | C22 | C23 | H17 | 65.8° | 62.6° |
| C22 | C20 | N19 | H42 | 9.3° | 0.0° |
| C20 | C22 | N30 | H43 | 114.9° | 35.8° |
| C41 | C39 | C34 | H27 | 117.8° | 120.0° |
| C41 | C39 | C34 | N33 | 171.6° | 63.7° |
| C41 | C39 | C34 | C35 | 67.0° | 176.3° |
| C41 | C39 | C34 | H23 | 51.8° | 56.2° |
| C41 | C39 | C40 | H28 | 180.0° | 60.0° |
| C41 | C39 | C40 | H29 | 60.0° | 180.0° |
| C41 | C39 | C40 | H30 | 60.0° | 60.0° |
| C39 | C41 | H31 | H32 | 120.0° | 120.0° |
| C39 | C41 | H31 | H33 | 120.0° | 120.0° |
| C39 | C41 | H32 | H33 | 120.0° | 119.9° |
| C39 | C34 | N33 | C31 | 117.3° | 98.3° |
| C39 | C34 | N33 | C35 | 123.4° | 120.0° |
| C39 | C34 | N33 | H23 | 119.1° | 120.0° |
| C39 | C34 | C35 | H23 | 118.7° | 120.0° |
| C39 | C34 | C35 | O36 | 111.4° | 94.4° |
| C39 | C34 | C35 | O37 | 69.6° | 85.6° |
| C34 | C39 | C40 | H28 | 55.0° | 180.0° |
| C34 | C39 | C40 | H29 | 65.0° | 60.0° |
| C34 | C39 | C40 | H30 | 175.0° | 60.0° |
| C34 | C39 | C41 | H31 | 55.2° | 65.7° |
| C34 | C39 | C41 | H32 | 175.2° | 174.2° |
| C34 | C39 | C41 | H33 | 64.8° | 54.2° |
| C39 | C34 | N33 | H44 | 62.7° | 81.7° |
| C31 | N33 | C34 | H44 | 180.0° | 179.9° |
| C31 | N33 | C34 | C35 | 119.3° | 141.7° |
| C31 | N33 | C34 | H23 | 1.8° | 21.7° |
| N33 | C31 | N30 | H43 | 2.0° | 175.3° |
| C34 | N33 | C31 | O32 | 2.7° | 5.7° |
| N33 | C34 | C35 | H23 | 118.0° | 120.0° |
| N33 | C34 | C35 | O36 | 11.8° | 25.7° |
| N33 | C34 | C35 | O37 | 167.1° | 154.4° |
| N33 | C34 | C39 | H27 | 53.8° | 56.3° |
| O32 | C31 | N30 | H43 | 178.9° | 4.7° |
| O32 | C31 | N33 | H44 | 177.3° | 174.3° |
| C34 | C35 | O36 | O37 | 178.8° | 179.9° |
| C34 | C35 | O37 | C38 | 178.1° | 180.0° |
| C35 | C34 | C39 | H27 | 175.2° | 63.7° |
| C35 | C34 | N33 | H44 | 60.7° | 38.4° |
| O21 | C20 | N19 | C18 | 5.7° | 0.0° |
| O21 | C20 | C22 | H15 | 170.6° | 120.0° |
| O21 | C20 | N19 | H42 | 174.3° | 180.0° |
| C20 | N19 | C18 | H42 | 180.0° | 179.9° |
| C20 | N19 | C18 | C42 | 51.3° | 155.0° |
| C20 | N19 | C18 | C16 | 79.8° | 85.0° |
| C20 | N19 | C18 | H14 | 164.6° | 35.0° |
| N19 | C20 | C22 | H15 | 5.8° | 60.0° |
| N19 | C18 | C42 | C16 | 133.2° | 119.9° |
| N19 | C18 | C42 | H14 | 113.9° | 120.1° |
| N19 | C18 | C42 | C43 | 127.0° | 39.7° |
| N19 | C18 | C16 | H14 | 116.0° | 120.0° |
| N19 | C18 | C16 | O17 | 36.7° | 168.5° |
| N19 | C18 | C16 | N15 | 147.0° | 11.5° |
| N19 | C18 | C42 | H34 | 112.5° | 80.4° |
| N19 | C18 | C42 | H35 | 6.6° | 159.6° |
| O36 | C35 | O37 | C38 | 0.8° | 0.0° |
| O36 | C35 | C34 | H23 | 129.8° | 145.6° |
| O37 | C35 | C34 | H23 | 49.1° | 34.4° |
| C35 | O37 | C38 | H24 | 180.0° | 60.0° |
| C35 | O37 | C38 | H25 | 60.0° | 180.0° |
| C35 | O37 | C38 | H26 | 60.0° | 60.0° |
| O37 | C38 | H24 | H25 | 120.0° | 120.0° |
| O37 | C38 | H24 | H26 | 120.0° | 120.0° |
| O37 | C38 | H25 | H26 | 120.0° | 120.0° |
| C18 | C42 | C43 | H34 | 120.4° | 120.0° |
| C18 | C42 | C43 | H35 | 120.4° | 120.0° |
| C42 | C18 | C16 | H14 | 112.9° | 120.0° |
| C18 | C42 | C43 | C14 | 157.7° | 141.3° |
| C42 | C18 | C16 | O17 | 167.8° | 71.5° |
| C42 | C18 | C16 | N15 | 15.9° | 108.4° |
| C18 | C42 | H34 | H35 | 118.7° | 120.0° |
| C18 | C42 | C43 | H36 | 81.3° | 98.8° |
| C18 | C42 | C43 | H37 | 36.7° | 21.3° |
| C42 | C18 | N19 | H42 | 128.7° | 24.9° |
| C43 | C42 | C18 | C16 | 99.8° | 80.3° |
| C42 | C43 | C14 | H36 | 121.0° | 120.0° |
| C42 | C43 | C14 | H37 | 121.0° | 120.1° |
| C42 | C43 | C14 | C13 | 55.6° | 150.2° |
| C42 | C43 | C14 | H12 | 65.1° | 30.2° |
| C42 | C43 | C14 | H13 | 176.2° | 89.8° |
| C43 | C42 | C18 | H14 | 13.1° | 159.7° |
| C43 | C42 | H34 | H35 | 118.7° | 120.0° |
| C42 | C43 | H36 | H37 | 116.8° | 120.1° |
| C18 | C16 | O17 | N15 | 176.1° | 180.0° |
| C18 | C16 | N15 | C07 | 171.1° | 179.6° |
| C16 | C18 | C42 | H34 | 20.6° | 159.7° |
| C16 | C18 | C42 | H35 | 139.8° | 39.7° |
| C18 | C16 | N15 | H41 | 8.9° | 0.3° |
| C16 | C18 | N19 | H42 | 100.2° | 95.0° |
| C43 | C14 | C13 | H12 | 120.6° | 120.0° |
| C43 | C14 | C13 | H13 | 120.6° | 120.0° |
| C43 | C14 | C13 | N12 | 38.5° | 92.5° |
| C43 | C14 | C13 | H10 | 82.1° | 27.1° |
| C43 | C14 | C13 | H11 | 159.0° | 147.7° |
| C43 | C14 | H12 | H13 | 118.0° | 120.1° |
| C14 | C43 | C42 | H34 | 37.3° | 98.7° |
| C14 | C43 | C42 | H35 | 81.9° | 21.3° |
| C14 | C43 | H36 | H37 | 116.9° | 120.0° |
| C14 | C13 | N12 | H10 | 120.6° | 119.6° |
| C14 | C13 | N12 | H11 | 120.5° | 119.8° |
| C14 | C13 | N12 | C10 | 36.8° | 71.8° |
| C14 | C13 | H10 | H11 | 118.3° | 120.7° |
| C13 | C14 | H12 | H13 | 118.0° | 120.0° |
| C13 | C14 | C43 | H36 | 176.6° | 89.8° |
| C13 | C14 | C43 | H37 | 65.4° | 30.1° |
| C14 | C13 | N12 | H40 | 143.2° | 108.2° |
| O17 | C16 | N15 | C07 | 5.1° | 0.3° |
| O17 | C16 | C18 | H14 | 79.3° | 48.5° |
| O17 | C16 | N15 | H41 | 174.9° | 179.7° |
| C16 | N15 | C07 | H41 | 180.0° | 180.0° |
| C16 | N15 | C07 | C06 | 102.5° | 109.0° |
| C16 | N15 | C07 | C08 | 137.1° | 131.2° |
| C16 | N15 | C07 | H5 | 17.4° | 11.4° |
| N15 | C16 | C18 | H14 | 97.0° | 131.6° |
| F01 | C02 | C03 | C44 | 179.9° | 179.7° |
| F01 | C02 | C03 | C04 | 180.0° | 179.8° |
| F01 | C02 | C44 | C45 | 179.9° | 179.8° |
| F01 | C02 | C03 | H1 | 0.1° | 0.3° |
| F01 | C02 | C44 | H38 | 0.1° | 0.2° |
| C13 | N12 | C10 | O11 | 3.5° | 0.1° |
| C13 | N12 | C10 | H40 | 180.0° | 180.0° |
| C13 | N12 | C10 | C09 | 176.8° | 180.0° |
| N12 | C13 | H10 | H11 | 118.3° | 120.6° |
| N12 | C13 | C14 | H12 | 159.1° | 27.4° |
| N12 | C13 | C14 | H13 | 82.2° | 147.4° |
| N15 | C07 | C06 | C08 | 121.4° | 119.1° |
| N15 | C07 | C06 | H5 | 120.4° | 120.6° |
| N15 | C07 | C08 | H5 | 120.3° | 119.9° |
| N15 | C07 | C06 | C04 | 92.6° | 65.9° |
| N15 | C07 | C08 | C09 | 40.7° | 76.9° |
| N15 | C07 | C06 | H3 | 28.4° | 174.1° |
| N15 | C07 | C06 | H4 | 146.3° | 54.1° |
| N15 | C07 | C08 | H6 | 161.3° | 163.1° |
| N15 | C07 | C08 | H7 | 79.9° | 43.1° |
| C02 | C03 | C04 | H1 | 180.0° | 179.9° |
| C03 | C02 | C44 | C45 | 0.1° | 0.0° |
| C02 | C03 | C04 | C06 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C02 | C44 | H38 | 179.9° | 180.0° |
| C44 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C44 | C45 | H38 | 180.0° | 180.0° |
| C02 | C44 | C45 | C05 | 0.1° | 0.0° |
| C44 | C02 | C03 | H1 | 179.8° | 179.9° |
| C02 | C44 | C45 | H39 | 179.9° | 180.0° |
| O11 | C10 | N12 | C09 | 179.8° | 180.0° |
| O11 | C10 | C09 | C08 | 179.6° | 9.9° |
| O11 | C10 | C09 | H8 | 60.0° | 110.1° |
| O11 | C10 | C09 | H9 | 59.0° | 130.0° |
| O11 | C10 | N12 | H40 | 176.5° | 179.9° |
| C03 | C04 | C06 | C07 | 30.8° | 90.0° |
| C03 | C04 | C06 | C05 | 179.6° | 180.0° |
| C03 | C04 | C05 | C45 | 0.3° | 0.0° |
| C03 | C04 | C05 | H2 | 179.7° | 180.0° |
| C03 | C04 | C06 | H3 | 90.3° | 150.0° |
| C03 | C04 | C06 | H4 | 151.8° | 30.0° |
| N12 | C10 | C09 | C08 | 0.7° | 170.1° |
| N12 | C10 | C09 | H8 | 119.8° | 70.0° |
| N12 | C10 | C09 | H9 | 121.2° | 50.0° |
| C10 | N12 | C13 | H10 | 157.4° | 47.8° |
| C10 | N12 | C13 | H11 | 83.7° | 168.4° |
| C10 | C09 | C08 | C07 | 82.9° | 76.6° |
| C10 | C09 | C08 | H8 | 120.5° | 120.0° |
| C10 | C09 | C08 | H9 | 120.5° | 120.1° |
| C10 | C09 | C08 | H6 | 156.5° | 163.4° |
| C10 | C09 | C08 | H7 | 37.8° | 43.4° |
| C10 | C09 | H8 | H9 | 118.4° | 120.0° |
| C09 | C10 | N12 | H40 | 3.2° | 0.1° |
| C44 | C45 | C05 | C04 | 0.2° | 0.0° |
| C44 | C45 | C05 | H39 | 180.0° | 180.0° |
| C44 | C45 | C05 | H2 | 179.8° | 180.0° |
| C06 | C07 | C08 | H5 | 118.2° | 120.4° |
| C07 | C06 | C04 | H3 | 121.0° | 120.0° |
| C07 | C06 | C04 | H4 | 121.0° | 120.0° |
| C07 | C06 | C04 | C05 | 149.6° | 90.0° |
| C06 | C07 | C08 | C09 | 162.2° | 163.4° |
| C07 | C06 | H3 | H4 | 116.8° | 120.0° |
| C06 | C07 | C08 | H6 | 77.2° | 43.4° |
| C06 | C07 | C08 | H7 | 41.6° | 76.6° |
| C06 | C07 | N15 | H41 | 77.5° | 71.0° |
| C08 | C07 | C06 | C04 | 146.0° | 175.0° |
| C07 | C08 | C09 | H6 | 120.6° | 120.0° |
| C07 | C08 | C09 | H7 | 120.7° | 120.0° |
| C08 | C07 | C06 | H3 | 93.0° | 55.0° |
| C08 | C07 | C06 | H4 | 24.9° | 65.0° |
| C07 | C08 | H6 | H7 | 118.1° | 120.0° |
| C07 | C08 | C09 | H8 | 156.6° | 43.4° |
| C07 | C08 | C09 | H9 | 37.6° | 163.4° |
| C08 | C07 | N15 | H41 | 42.8° | 48.7° |
| C06 | C04 | C05 | C45 | 179.9° | 180.0° |
| C06 | C04 | C03 | H1 | 0.1° | 0.1° |
| C06 | C04 | C05 | H2 | 0.1° | 0.0° |
| C04 | C06 | H3 | H4 | 116.8° | 120.0° |
| C04 | C06 | C07 | H5 | 27.8° | 54.7° |
| C04 | C05 | C45 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | H1 | 179.7° | 179.9° |
| C05 | C04 | C06 | H3 | 89.3° | 30.0° |
| C05 | C04 | C06 | H4 | 28.6° | 150.0° |
| C04 | C05 | C45 | H39 | 179.8° | 180.0° |
| C09 | C08 | C07 | H5 | 79.6° | 43.0° |
| C09 | C08 | H6 | H7 | 118.0° | 120.0° |
| C08 | C09 | H8 | H9 | 118.5° | 120.0° |
| C05 | C45 | C44 | H38 | 179.9° | 180.0° |
| H2 | C05 | C45 | H39 | 0.2° | 0.0° |
| H3 | C06 | C07 | H5 | 148.8° | 65.3° |
| H4 | C06 | C07 | H5 | 93.3° | 174.6° |
| H5 | C07 | C08 | H6 | 41.0° | 76.9° |
| H5 | C07 | C08 | H7 | 159.7° | 163.0° |
| H5 | C07 | N15 | H41 | 162.6° | 168.5° |
| H6 | C08 | C09 | H8 | 36.0° | 76.6° |
| H6 | C08 | C09 | H9 | 83.0° | 43.4° |
| H7 | C08 | C09 | H8 | 82.7° | 163.4° |
| H7 | C08 | C09 | H9 | 158.3° | 76.7° |
| H10 | C13 | C14 | H12 | 38.5° | 147.0° |
| H10 | C13 | C14 | H13 | 157.3° | 93.0° |
| H10 | C13 | N12 | H40 | 22.6° | 132.2° |
| H11 | C13 | C14 | H12 | 80.4° | 92.3° |
| H11 | C13 | C14 | H13 | 38.4° | 27.6° |
| H11 | C13 | N12 | H40 | 96.3° | 11.6° |
| H12 | C14 | C43 | H36 | 55.9° | 150.2° |
| H12 | C14 | C43 | H37 | 173.9° | 89.8° |
| H13 | C14 | C43 | H36 | 62.8° | 30.1° |
| H13 | C14 | C43 | H37 | 55.2° | 150.1° |
| H14 | C18 | C42 | H34 | 133.6° | 39.7° |
| H14 | C18 | C42 | H35 | 107.3° | 80.3° |
| H14 | C18 | N19 | H42 | 15.4° | 145.0° |
| H15 | C22 | C23 | H16 | 59.1° | 62.7° |
| H15 | C22 | C23 | H17 | 178.1° | 177.4° |
| H15 | C22 | N30 | H43 | 126.7° | 155.8° |
| H18 | C25 | C26 | H19 | 0.2° | 0.1° |
| H19 | C26 | C27 | H20 | 0.1° | 0.1° |
| H20 | C27 | C29 | H22 | 0.0° | 0.4° |
| H21 | C28 | C29 | H22 | 0.2° | 0.3° |
| H23 | C34 | C39 | H27 | 66.0° | 176.2° |
| H23 | C34 | N33 | H44 | 178.2° | 158.4° |
| H24 | C38 | H25 | H26 | 119.9° | 120.0° |
| H27 | C39 | C40 | H28 | 62.5° | 60.0° |
| H27 | C39 | C40 | H29 | 177.4° | 60.0° |
| H27 | C39 | C40 | H30 | 57.5° | 180.0° |
| H27 | C39 | C41 | H31 | 62.5° | 54.3° |
| H27 | C39 | C41 | H32 | 57.5° | 65.8° |
| H27 | C39 | C41 | H33 | 177.5° | 174.3° |
| H28 | C40 | H29 | H30 | 120.0° | 120.0° |
| H31 | C41 | H32 | H33 | 120.0° | 120.0° |
| H34 | C42 | C43 | H36 | 158.3° | 21.3° |
| H34 | C42 | C43 | H37 | 83.7° | 141.3° |
| H35 | C42 | C43 | H36 | 39.1° | 141.3° |
| H35 | C42 | C43 | H37 | 157.1° | 98.7° |
| H38 | C44 | C45 | H39 | 0.1° | 0.0° |
