A1CY5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C04 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | N15 | sing | 1.48Å | 1.46Å | |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C10 | N12 | sing | 1.38Å | 1.34Å | |
| C03 | C02 | doub | 1.38Å | 1.37Å | Aromatic |
| C44 | C02 | sing | 1.39Å | 1.36Å | Aromatic |
| N15 | C16 | sing | 1.37Å | 1.34Å | |
| N12 | C13 | sing | 1.49Å | 1.46Å | |
| C02 | F01 | sing | 1.35Å | 1.35Å | |
| O17 | C16 | doub | 1.21Å | 1.23Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C38 | O37 | sing | 1.45Å | 1.45Å | |
| C18 | C42 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.47Å | 1.45Å | |
| O36 | C35 | doub | 1.21Å | 1.20Å | |
| C14 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| O37 | C35 | sing | 1.34Å | 1.33Å | |
| C35 | C34 | sing | 1.51Å | 1.52Å | |
| N19 | C20 | sing | 1.35Å | 1.34Å | |
| C34 | N33 | sing | 1.47Å | 1.45Å | |
| C34 | C39 | sing | 1.53Å | 1.54Å | |
| O21 | C20 | doub | 1.21Å | 1.23Å | |
| C20 | C22 | sing | 1.51Å | 1.53Å | |
| O32 | C31 | doub | 1.22Å | 1.23Å | |
| N33 | C31 | sing | 1.35Å | 1.35Å | |
| C31 | N30 | sing | 1.35Å | 1.35Å | |
| C41 | C39 | sing | 1.53Å | 1.52Å | |
| N30 | C22 | sing | 1.46Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C29 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | 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) |
| C09 | C08 | C07 | 114.7° | 109.5° |
| C08 | C09 | C10 | 114.2° | 109.5° |
| C09 | C08 | H6 | 108.1° | 109.5° |
| C09 | C08 | H7 | 108.1° | 109.5° |
| C08 | C09 | H8 | 108.3° | 109.4° |
| C08 | C09 | H9 | 108.3° | 109.4° |
| C08 | C07 | C06 | 106.8° | 109.6° |
| C08 | C07 | N15 | 112.9° | 108.6° |
| C08 | C07 | H5 | 108.3° | 109.8° |
| C07 | C08 | H6 | 108.1° | 109.5° |
| C07 | C08 | H7 | 108.1° | 109.5° |
| C07 | C06 | C04 | 117.5° | 109.5° |
| C06 | C07 | N15 | 111.0° | 109.7° |
| C07 | C06 | H3 | 107.4° | 109.4° |
| C07 | C06 | H4 | 107.4° | 109.5° |
| C06 | C07 | H5 | 108.4° | 109.6° |
| C06 | C04 | C05 | 120.0° | 120.0° |
| C06 | C04 | C03 | 121.8° | 120.0° |
| C04 | C06 | H3 | 107.4° | 109.5° |
| C04 | C06 | H4 | 107.5° | 109.4° |
| C09 | C10 | O11 | 122.1° | 120.9° |
| C09 | C10 | N12 | 115.8° | 118.2° |
| C10 | C09 | H8 | 108.2° | 109.5° |
| C10 | C09 | H9 | 108.3° | 109.5° |
| C04 | C05 | C45 | 120.8° | 120.0° |
| C05 | C04 | C03 | 118.3° | 120.0° |
| C04 | C05 | H2 | 119.6° | 120.0° |
| C05 | C45 | C44 | 120.7° | 120.0° |
| C45 | C05 | H2 | 119.6° | 120.0° |
| C05 | C45 | H39 | 119.6° | 120.0° |
| C07 | N15 | C16 | 120.6° | 115.3° |
| N15 | C07 | H5 | 109.3° | 109.6° |
| C07 | N15 | H41 | 119.7° | 122.4° |
| C04 | C03 | C02 | 119.0° | 120.0° |
| C04 | C03 | H1 | 120.5° | 120.0° |
| C45 | C44 | C02 | 117.9° | 119.9° |
| C45 | C44 | H38 | 121.0° | 120.0° |
| C44 | C45 | H39 | 119.6° | 119.9° |
| O11 | C10 | N12 | 122.1° | 120.9° |
| C10 | N12 | C13 | 125.5° | 113.3° |
| C10 | N12 | H40 | 117.3° | 123.3° |
| C03 | C02 | C44 | 123.3° | 120.0° |
| C03 | C02 | F01 | 118.6° | 120.0° |
| C02 | C03 | H1 | 120.5° | 120.1° |
| C44 | C02 | F01 | 118.2° | 120.0° |
| C02 | C44 | H38 | 121.1° | 120.0° |
| N15 | C16 | O17 | 122.5° | 120.6° |
| N15 | C16 | C18 | 117.7° | 118.8° |
| C16 | N15 | H41 | 119.7° | 122.3° |
| N12 | C13 | C14 | 110.9° | 108.2° |
| N12 | C13 | H10 | 109.1° | 109.7° |
| N12 | C13 | H11 | 109.1° | 109.7° |
| C13 | N12 | H40 | 117.2° | 123.4° |
| O17 | C16 | C18 | 119.7° | 120.6° |
| C16 | C18 | C42 | 109.5° | 109.4° |
| C16 | C18 | N19 | 112.1° | 109.4° |
| C16 | C18 | H14 | 108.7° | 109.5° |
| C13 | C14 | C43 | 110.3° | 109.5° |
| C14 | C13 | H10 | 109.1° | 109.7° |
| C14 | C13 | H11 | 109.1° | 109.7° |
| C13 | C14 | H12 | 109.3° | 109.4° |
| C13 | C14 | H13 | 109.3° | 109.5° |
| C38 | O37 | C35 | 115.7° | 117.0° |
| O37 | C38 | H24 | 109.5° | 109.5° |
| O37 | C38 | H25 | 109.5° | 109.5° |
| O37 | C38 | H26 | 109.5° | 109.5° |
| C42 | C18 | N19 | 108.0° | 109.5° |
| C18 | C42 | C43 | 115.1° | 109.5° |
| C42 | C18 | H14 | 108.7° | 109.5° |
| C18 | C42 | H34 | 108.0° | 109.5° |
| C18 | C42 | H35 | 108.0° | 109.5° |
| C18 | N19 | C20 | 122.0° | 120.0° |
| N19 | C18 | H14 | 109.8° | 109.5° |
| C18 | N19 | H42 | 119.0° | 120.0° |
| O36 | C35 | O37 | 123.7° | 120.0° |
| O36 | C35 | C34 | 124.6° | 120.0° |
| C14 | C43 | C42 | 112.1° | 109.5° |
| C43 | C14 | H12 | 109.2° | 109.5° |
| C43 | C14 | H13 | 109.3° | 109.5° |
| C14 | C43 | H36 | 108.8° | 109.4° |
| C14 | C43 | H37 | 108.8° | 109.5° |
| C43 | C42 | H34 | 108.0° | 109.5° |
| C43 | C42 | H35 | 108.1° | 109.5° |
| C42 | C43 | H36 | 108.8° | 109.5° |
| C42 | C43 | H37 | 108.8° | 109.5° |
| O37 | C35 | C34 | 111.7° | 120.0° |
| C35 | C34 | N33 | 110.0° | 109.5° |
| C35 | C34 | C39 | 111.6° | 109.5° |
| C35 | C34 | H23 | 107.8° | 109.5° |
| N19 | C20 | O21 | 123.1° | 120.1° |
| N19 | C20 | C22 | 115.5° | 120.0° |
| C20 | N19 | H42 | 119.0° | 120.1° |
| N33 | C34 | C39 | 111.1° | 109.5° |
| C34 | N33 | C31 | 120.1° | 120.0° |
| N33 | C34 | H23 | 108.6° | 109.4° |
| C34 | N33 | H44 | 119.9° | 120.0° |
| C34 | C39 | C41 | 112.1° | 109.5° |
| C34 | C39 | C40 | 111.1° | 109.4° |
| C39 | C34 | H23 | 107.5° | 109.5° |
| C34 | C39 | H27 | 107.3° | 109.5° |
| O21 | C20 | C22 | 121.2° | 120.0° |
| C20 | C22 | N30 | 110.6° | 109.5° |
| C20 | C22 | C23 | 110.2° | 109.5° |
| C20 | C22 | H15 | 108.0° | 109.5° |
| O32 | C31 | N33 | 122.6° | 120.0° |
| O32 | C31 | N30 | 122.7° | 120.0° |
| N33 | C31 | N30 | 114.7° | 120.0° |
| C31 | N33 | H44 | 119.9° | 120.0° |
| C31 | N30 | C22 | 121.1° | 120.0° |
| C31 | N30 | H43 | 119.5° | 120.0° |
| C41 | C39 | C40 | 111.0° | 109.5° |
| C41 | C39 | H27 | 107.5° | 109.5° |
| C39 | C41 | H31 | 109.5° | 109.5° |
| C39 | C41 | H32 | 109.5° | 109.5° |
| C39 | C41 | H33 | 109.5° | 109.5° |
| N30 | C22 | C23 | 111.1° | 109.5° |
| N30 | C22 | H15 | 109.0° | 109.5° |
| C22 | N30 | H43 | 119.4° | 120.0° |
| C22 | C23 | C24 | 114.6° | 109.4° |
| C23 | C22 | H15 | 107.9° | 109.5° |
| C22 | C23 | H16 | 108.2° | 109.5° |
| C22 | C23 | H17 | 108.2° | 109.4° |
| C40 | C39 | H27 | 107.5° | 109.4° |
| C39 | C40 | H28 | 109.5° | 109.5° |
| C39 | C40 | H29 | 109.4° | 109.4° |
| C39 | C40 | H30 | 109.5° | 109.5° |
| C29 | C28 | C24 | 120.9° | 120.0° |
| C28 | C29 | C27 | 120.2° | 120.0° |
| C29 | C28 | H21 | 119.5° | 120.0° |
| C28 | C29 | H22 | 119.9° | 120.0° |
| C28 | C24 | C23 | 121.0° | 120.0° |
| C28 | C24 | C25 | 118.1° | 120.0° |
| C24 | C28 | H21 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | H16 | 108.2° | 109.5° |
| C24 | C23 | H17 | 108.2° | 109.5° |
| C29 | C27 | C26 | 119.8° | 120.0° |
| C29 | C27 | H20 | 120.1° | 120.0° |
| C27 | C29 | H22 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.7° | 120.0° |
| C24 | C25 | H18 | 119.6° | 119.9° |
| C27 | C26 | C25 | 120.3° | 120.0° |
| C27 | C26 | H19 | 119.9° | 120.0° |
| C26 | C27 | H20 | 120.1° | 120.0° |
| C26 | C25 | H18 | 119.6° | 120.1° |
| C25 | C26 | H19 | 119.9° | 120.0° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| 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° | 109.5° |
| H24 | C38 | H25 | 109.5° | 109.5° |
| H24 | C38 | H26 | 109.5° | 109.5° |
| H25 | C38 | H26 | 109.5° | 109.4° |
| H28 | C40 | H29 | 109.4° | 109.4° |
| H28 | C40 | H30 | 109.4° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.4° |
| H31 | C41 | H32 | 109.5° | 109.5° |
| H31 | C41 | H33 | 109.5° | 109.4° |
| H32 | C41 | H33 | 109.5° | 109.4° |
| H34 | C42 | H35 | 109.5° | 109.4° |
| H36 | C43 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H6 | 120.8° | 120.0° |
| C09 | C08 | C07 | H7 | 120.8° | 120.0° |
| C09 | C08 | C07 | C06 | 125.1° | 42.9° |
| C08 | C09 | C10 | H8 | 120.7° | 120.0° |
| C08 | C09 | C10 | H9 | 120.7° | 120.0° |
| C09 | C08 | C07 | N15 | 2.8° | 76.9° |
| C08 | C09 | C10 | O11 | 14.0° | 9.9° |
| C08 | C09 | C10 | N12 | 166.6° | 170.1° |
| C09 | C08 | C07 | H5 | 118.4° | 163.3° |
| C09 | C08 | H6 | H7 | 117.6° | 120.0° |
| C08 | C09 | H8 | H9 | 117.8° | 119.9° |
| C08 | C07 | C06 | N15 | 123.5° | 119.1° |
| C08 | C07 | C06 | H5 | 116.5° | 120.5° |
| C08 | C07 | C06 | C04 | 176.0° | 57.6° |
| C07 | C08 | C09 | C10 | 67.5° | 76.6° |
| C08 | C07 | N15 | H5 | 120.6° | 119.9° |
| C08 | C07 | N15 | C16 | 116.5° | 131.2° |
| C08 | C07 | C06 | H3 | 62.9° | 62.4° |
| C08 | C07 | C06 | H4 | 54.8° | 177.6° |
| C07 | C08 | H6 | H7 | 117.6° | 120.0° |
| C07 | C08 | C09 | H8 | 171.8° | 163.3° |
| C07 | C08 | C09 | H9 | 53.2° | 43.5° |
| C08 | C07 | N15 | H41 | 63.5° | 48.8° |
| C07 | C06 | C04 | H3 | 121.1° | 120.0° |
| C07 | C06 | C04 | H4 | 121.1° | 120.0° |
| C07 | C06 | C04 | C05 | 163.7° | 106.1° |
| C06 | C07 | N15 | H5 | 119.4° | 120.4° |
| C07 | C06 | C04 | C03 | 17.1° | 73.9° |
| C06 | C07 | N15 | C16 | 123.6° | 11.5° |
| C07 | C06 | H3 | H4 | 116.4° | 120.0° |
| C06 | C07 | C08 | H6 | 4.3° | 162.9° |
| C06 | C07 | C08 | H7 | 114.2° | 77.2° |
| C06 | C07 | N15 | H41 | 56.4° | 168.5° |
| C06 | C04 | C05 | C03 | 179.2° | 179.9° |
| C06 | C04 | C05 | C45 | 179.8° | 180.0° |
| C04 | C06 | C07 | N15 | 60.6° | 176.8° |
| C06 | C04 | C03 | C02 | 179.8° | 180.0° |
| C06 | C04 | C03 | H1 | 0.2° | 0.0° |
| C06 | C04 | C05 | H2 | 0.2° | 0.1° |
| C04 | C06 | H3 | H4 | 116.4° | 120.0° |
| C04 | C06 | C07 | H5 | 59.4° | 62.9° |
| C09 | C10 | O11 | N12 | 179.4° | 180.0° |
| C09 | C10 | N12 | C13 | 172.9° | 179.9° |
| C10 | C09 | C08 | H6 | 171.8° | 43.4° |
| C10 | C09 | C08 | H7 | 53.3° | 163.4° |
| C10 | C09 | H8 | H9 | 117.8° | 120.0° |
| C09 | C10 | N12 | H40 | 7.1° | 0.2° |
| C04 | C05 | C45 | H2 | 180.0° | 179.9° |
| C04 | C05 | C45 | C44 | 0.3° | 0.3° |
| C05 | C04 | C03 | C02 | 0.6° | 0.1° |
| C05 | C04 | C03 | H1 | 179.4° | 179.9° |
| C05 | C04 | C06 | H3 | 42.6° | 13.8° |
| C05 | C04 | C06 | H4 | 75.1° | 133.9° |
| C04 | C05 | C45 | H39 | 179.7° | 180.0° |
| C45 | C05 | C04 | C03 | 0.6° | 0.1° |
| C05 | C45 | C44 | H39 | 180.0° | 179.7° |
| C05 | C45 | C44 | C02 | 0.1° | 0.6° |
| C05 | C45 | C44 | H38 | 179.9° | 179.7° |
| C07 | N15 | C16 | H41 | 180.0° | 180.0° |
| C07 | N15 | C16 | O17 | 1.2° | 0.4° |
| C07 | N15 | C16 | C18 | 177.9° | 179.6° |
| N15 | C07 | C06 | H3 | 60.6° | 56.7° |
| N15 | C07 | C06 | H4 | 178.3° | 63.3° |
| N15 | C07 | C08 | H6 | 118.0° | 43.1° |
| N15 | C07 | C08 | H7 | 123.6° | 163.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | C44 | 0.4° | 0.3° |
| C04 | C03 | C02 | F01 | 179.5° | 180.0° |
| C03 | C04 | C05 | H2 | 179.4° | 180.0° |
| C03 | C04 | C06 | H3 | 138.2° | 166.1° |
| C03 | C04 | C06 | H4 | 104.0° | 46.0° |
| C45 | C44 | C02 | C03 | 0.2° | 0.6° |
| C45 | C44 | C02 | H38 | 180.0° | 179.7° |
| C45 | C44 | C02 | F01 | 179.8° | 179.7° |
| C44 | C45 | C05 | H2 | 179.7° | 179.7° |
| O11 | C10 | N12 | C13 | 7.7° | 0.0° |
| O11 | C10 | C09 | H8 | 106.7° | 130.0° |
| O11 | C10 | C09 | H9 | 134.7° | 110.1° |
| O11 | C10 | N12 | H40 | 172.3° | 179.9° |
| C10 | N12 | C13 | H40 | 180.0° | 179.9° |
| C10 | N12 | C13 | C14 | 123.7° | 71.9° |
| N12 | C10 | C09 | H8 | 72.7° | 50.1° |
| N12 | C10 | C09 | H9 | 45.9° | 69.9° |
| C10 | N12 | C13 | H10 | 3.5° | 168.4° |
| C10 | N12 | C13 | H11 | 116.0° | 47.7° |
| C03 | C02 | C44 | F01 | 180.0° | 179.7° |
| C03 | C02 | C44 | H38 | 179.8° | 179.7° |
| C44 | C02 | C03 | H1 | 179.5° | 179.7° |
| C02 | C44 | C45 | H39 | 179.9° | 179.7° |
| N15 | C16 | O17 | C18 | 179.0° | 180.0° |
| N15 | C16 | C18 | C42 | 100.7° | 108.4° |
| N15 | C16 | C18 | N19 | 139.4° | 11.5° |
| C16 | N15 | C07 | H5 | 4.1° | 108.9° |
| N15 | C16 | C18 | H14 | 17.9° | 131.5° |
| N12 | C13 | C14 | H10 | 120.2° | 119.7° |
| N12 | C13 | C14 | H11 | 120.2° | 119.7° |
| N12 | C13 | C14 | C43 | 44.4° | 92.6° |
| N12 | C13 | H10 | H11 | 119.3° | 120.7° |
| N12 | C13 | C14 | H12 | 164.5° | 147.4° |
| N12 | C13 | C14 | H13 | 75.8° | 27.4° |
| F01 | C02 | C03 | H1 | 0.5° | 0.0° |
| F01 | C02 | C44 | H38 | 0.2° | 0.0° |
| O17 | C16 | C18 | C42 | 78.3° | 71.6° |
| O17 | C16 | C18 | N19 | 41.5° | 168.5° |
| O17 | C16 | C18 | H14 | 163.0° | 48.5° |
| O17 | C16 | N15 | H41 | 178.8° | 179.6° |
| C16 | C18 | C42 | N19 | 122.3° | 119.9° |
| C16 | C18 | C42 | H14 | 118.6° | 120.0° |
| C16 | C18 | N19 | H14 | 120.9° | 120.0° |
| C16 | C18 | C42 | C43 | 104.9° | 80.2° |
| C16 | C18 | N19 | C20 | 129.1° | 85.0° |
| C16 | C18 | C42 | H34 | 134.3° | 39.8° |
| C16 | C18 | C42 | H35 | 16.0° | 159.7° |
| C18 | C16 | N15 | H41 | 2.1° | 0.4° |
| C16 | C18 | N19 | H42 | 50.9° | 95.0° |
| C13 | C14 | C43 | H12 | 120.1° | 120.0° |
| C13 | C14 | C43 | H13 | 120.1° | 120.0° |
| C13 | C14 | C43 | C42 | 62.8° | 150.2° |
| C14 | C13 | H10 | H11 | 119.3° | 120.6° |
| C13 | C14 | H12 | H13 | 119.7° | 120.0° |
| C13 | C14 | C43 | H36 | 176.9° | 30.2° |
| C13 | C14 | C43 | H37 | 57.7° | 89.8° |
| C14 | C13 | N12 | H40 | 56.2° | 108.2° |
| C38 | O37 | C35 | O36 | 0.6° | 0.0° |
| C38 | O37 | C35 | C34 | 179.2° | 180.0° |
| O37 | C38 | H24 | H25 | 120.0° | 120.0° |
| O37 | C38 | H24 | H26 | 120.0° | 120.0° |
| O37 | C38 | H25 | H26 | 120.0° | 120.0° |
| C42 | C18 | N19 | H14 | 118.3° | 120.1° |
| C18 | C42 | C43 | C14 | 160.6° | 141.3° |
| C18 | C42 | C43 | H34 | 120.8° | 120.0° |
| C18 | C42 | C43 | H35 | 120.8° | 120.0° |
| C42 | C18 | N19 | C20 | 110.1° | 155.0° |
| C18 | C42 | H34 | H35 | 117.4° | 120.0° |
| C18 | C42 | C43 | H36 | 79.0° | 21.3° |
| C18 | C42 | C43 | H37 | 40.2° | 98.7° |
| C42 | C18 | N19 | H42 | 69.9° | 24.9° |
| N19 | C18 | C42 | C43 | 132.8° | 39.6° |
| C18 | N19 | C20 | H42 | 180.0° | 179.9° |
| C18 | N19 | C20 | O21 | 5.4° | 0.1° |
| C18 | N19 | C20 | C22 | 171.1° | 180.0° |
| N19 | C18 | C42 | H34 | 12.0° | 159.7° |
| N19 | C18 | C42 | H35 | 106.4° | 80.4° |
| O36 | C35 | O37 | C34 | 179.8° | 180.0° |
| O36 | C35 | C34 | N33 | 166.0° | 12.0° |
| O36 | C35 | C34 | C39 | 70.1° | 108.0° |
| O36 | C35 | C34 | H23 | 47.8° | 131.9° |
| C14 | C43 | C42 | H36 | 120.4° | 120.0° |
| C14 | C43 | C42 | H37 | 120.4° | 120.0° |
| C43 | C14 | C13 | H10 | 75.8° | 147.7° |
| C43 | C14 | C13 | H11 | 164.6° | 27.0° |
| C43 | C14 | H12 | H13 | 119.6° | 120.0° |
| C14 | C43 | C42 | H34 | 78.6° | 21.3° |
| C14 | C43 | C42 | H35 | 39.8° | 98.7° |
| C14 | C43 | H36 | H37 | 118.8° | 120.0° |
| C42 | C43 | C14 | H12 | 57.4° | 89.8° |
| C42 | C43 | C14 | H13 | 177.1° | 30.1° |
| C43 | C42 | C18 | H14 | 13.8° | 159.7° |
| C43 | C42 | H34 | H35 | 117.4° | 120.0° |
| C42 | C43 | H36 | H37 | 118.8° | 120.0° |
| O37 | C35 | C34 | N33 | 14.2° | 168.0° |
| O37 | C35 | C34 | C39 | 109.7° | 72.0° |
| O37 | C35 | C34 | H23 | 132.5° | 48.0° |
| C35 | O37 | C38 | H24 | 180.0° | 60.0° |
| C35 | O37 | C38 | H25 | 60.0° | 180.0° |
| C35 | O37 | C38 | H26 | 60.0° | 60.0° |
| C35 | C34 | N33 | C39 | 124.2° | 120.0° |
| C35 | C34 | N33 | H23 | 117.8° | 120.0° |
| C35 | C34 | C39 | H23 | 118.0° | 120.0° |
| C35 | C34 | N33 | C31 | 136.6° | 144.9° |
| C35 | C34 | C39 | C41 | 73.6° | 175.3° |
| C35 | C34 | C39 | C40 | 51.3° | 64.7° |
| C35 | C34 | C39 | H27 | 168.6° | 55.2° |
| C35 | C34 | N33 | H44 | 43.3° | 35.1° |
| N19 | C20 | O21 | C22 | 176.3° | 180.0° |
| N19 | C20 | C22 | N30 | 108.5° | 180.0° |
| N19 | C20 | C22 | C23 | 128.3° | 60.0° |
| C20 | N19 | C18 | H14 | 8.2° | 35.0° |
| N19 | C20 | C22 | H15 | 10.7° | 60.0° |
| N33 | C34 | C39 | H23 | 118.7° | 120.0° |
| C34 | N33 | C31 | O32 | 0.6° | 4.9° |
| C34 | N33 | C31 | H44 | 180.0° | 180.0° |
| C34 | N33 | C31 | N30 | 178.3° | 175.2° |
| N33 | C34 | C39 | C41 | 163.2° | 55.3° |
| N33 | C34 | C39 | C40 | 72.0° | 175.3° |
| N33 | C34 | C39 | H27 | 45.3° | 64.8° |
| C39 | C34 | N33 | C31 | 99.2° | 95.1° |
| C34 | C39 | C41 | C40 | 124.9° | 120.0° |
| C34 | C39 | C41 | H27 | 117.8° | 120.1° |
| C34 | C39 | C40 | H27 | 117.2° | 120.0° |
| C34 | C39 | C40 | H28 | 180.0° | 60.0° |
| C34 | C39 | C40 | H29 | 60.0° | 180.0° |
| C34 | C39 | C40 | H30 | 60.0° | 60.0° |
| C34 | C39 | C41 | H31 | 180.0° | 65.5° |
| C34 | C39 | C41 | H32 | 60.0° | 174.5° |
| C34 | C39 | C41 | H33 | 60.0° | 54.4° |
| C39 | C34 | N33 | H44 | 80.9° | 84.8° |
| O21 | C20 | C22 | N30 | 74.9° | 0.0° |
| O21 | C20 | C22 | C23 | 48.3° | 120.0° |
| O21 | C20 | C22 | H15 | 165.9° | 120.0° |
| O21 | C20 | N19 | H42 | 174.6° | 180.0° |
| C20 | C22 | N30 | C31 | 109.0° | 132.0° |
| C20 | C22 | N30 | C23 | 122.7° | 120.0° |
| C20 | C22 | N30 | H15 | 118.6° | 120.0° |
| C20 | C22 | C23 | H15 | 117.7° | 120.0° |
| C20 | C22 | C23 | C24 | 53.9° | 175.0° |
| C20 | C22 | C23 | H16 | 66.9° | 55.0° |
| C20 | C22 | C23 | H17 | 174.6° | 65.0° |
| C22 | C20 | N19 | H42 | 8.8° | 0.0° |
| C20 | C22 | N30 | H43 | 70.9° | 47.9° |
| O32 | C31 | N33 | N30 | 178.9° | 180.0° |
| O32 | C31 | N30 | C22 | 2.0° | 176.5° |
| O32 | C31 | N30 | H43 | 178.0° | 3.4° |
| O32 | C31 | N33 | H44 | 179.4° | 175.1° |
| N33 | C31 | N30 | C22 | 176.9° | 3.6° |
| C31 | N33 | C34 | H23 | 18.9° | 24.9° |
| N33 | C31 | N30 | H43 | 3.1° | 176.5° |
| C31 | N30 | C22 | H43 | 180.0° | 179.9° |
| C31 | N30 | C22 | C23 | 128.3° | 108.0° |
| C31 | N30 | C22 | H15 | 9.5° | 12.0° |
| N30 | C31 | N33 | H44 | 1.7° | 4.8° |
| C41 | C39 | C40 | H27 | 117.4° | 120.0° |
| C41 | C39 | C34 | H23 | 44.4° | 64.7° |
| C41 | C39 | C40 | H28 | 54.6° | 60.0° |
| C41 | C39 | C40 | H29 | 174.5° | 60.0° |
| C41 | C39 | C40 | H30 | 65.5° | 179.9° |
| C39 | C41 | H31 | H32 | 120.0° | 120.1° |
| C39 | C41 | H31 | H33 | 120.0° | 120.0° |
| C39 | C41 | H32 | H33 | 120.0° | 120.0° |
| N30 | C22 | C23 | H15 | 119.4° | 120.0° |
| N30 | C22 | C23 | C24 | 176.8° | 65.0° |
| N30 | C22 | C23 | H16 | 56.0° | 175.0° |
| N30 | C22 | C23 | H17 | 62.5° | 55.0° |
| C22 | C23 | C24 | C28 | 92.9° | 86.5° |
| C22 | C23 | C24 | H16 | 120.8° | 120.0° |
| C22 | C23 | C24 | H17 | 120.7° | 120.0° |
| C22 | C23 | C24 | C25 | 87.7° | 93.8° |
| C22 | C23 | H16 | H17 | 117.7° | 120.0° |
| C23 | C22 | N30 | H43 | 51.7° | 72.1° |
| C40 | C39 | C34 | H23 | 169.3° | 55.3° |
| C39 | C40 | H28 | H29 | 120.0° | 120.0° |
| C39 | C40 | H28 | H30 | 120.0° | 120.0° |
| C39 | C40 | H29 | H30 | 120.0° | 120.0° |
| C40 | C39 | C41 | H31 | 55.1° | 174.5° |
| C40 | C39 | C41 | H32 | 64.9° | 54.5° |
| C40 | C39 | C41 | H33 | 175.1° | 65.5° |
| C29 | C28 | C24 | H21 | 180.0° | 179.4° |
| C29 | C28 | C24 | C23 | 179.9° | 179.7° |
| C28 | C29 | C27 | H22 | 180.0° | 179.4° |
| C29 | C28 | C24 | C25 | 0.6° | 0.6° |
| C28 | C29 | C27 | C26 | 0.1° | 0.3° |
| C28 | C29 | C27 | H20 | 179.9° | 179.7° |
| C28 | C24 | C23 | C25 | 179.5° | 179.7° |
| C24 | C28 | C29 | C27 | 0.4° | 0.6° |
| C28 | C24 | C25 | C26 | 0.5° | 0.3° |
| C28 | C24 | C23 | H16 | 27.9° | 153.5° |
| C28 | C24 | C23 | H17 | 146.4° | 33.5° |
| C28 | C24 | C25 | H18 | 179.5° | 179.7° |
| C24 | C28 | C29 | H22 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 180.0° | 180.0° |
| C24 | C23 | C22 | H15 | 63.8° | 55.0° |
| C24 | C23 | H16 | H17 | 117.6° | 120.0° |
| C23 | C24 | C25 | H18 | 0.0° | 0.1° |
| C23 | C24 | C28 | H21 | 0.1° | 0.4° |
| C29 | C27 | C26 | H20 | 180.0° | 180.0° |
| C29 | C27 | C26 | C25 | 0.0° | 0.0° |
| C29 | C27 | C26 | H19 | 180.0° | 180.0° |
| C27 | C29 | C28 | H21 | 179.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C24 | C25 | C26 | H18 | 180.0° | 180.0° |
| C25 | C24 | C23 | H16 | 151.6° | 26.2° |
| C25 | C24 | C23 | H17 | 33.1° | 146.2° |
| C24 | C25 | C26 | H19 | 179.8° | 180.0° |
| C25 | C24 | C28 | H21 | 179.4° | 180.0° |
| C27 | C26 | C25 | H19 | 180.0° | 180.0° |
| C27 | C26 | C25 | H18 | 179.8° | 180.0° |
| C26 | C27 | C29 | H22 | 179.9° | 179.7° |
| C25 | C26 | C27 | H20 | 180.0° | 180.0° |
| H2 | C05 | C45 | H39 | 0.3° | 0.1° |
| H3 | C06 | C07 | H5 | 179.4° | 177.1° |
| H4 | C06 | C07 | H5 | 61.7° | 57.1° |
| H5 | C07 | C08 | H6 | 120.9° | 76.7° |
| H5 | C07 | C08 | H7 | 2.4° | 43.2° |
| H5 | C07 | N15 | H41 | 175.9° | 71.1° |
| H6 | C08 | C09 | H8 | 51.1° | 76.7° |
| H6 | C08 | C09 | H9 | 67.6° | 163.4° |
| H7 | C08 | C09 | H8 | 67.4° | 43.3° |
| H7 | C08 | C09 | H9 | 174.0° | 76.6° |
| H10 | C13 | C14 | H12 | 44.2° | 27.7° |
| H10 | C13 | C14 | H13 | 164.0° | 92.3° |
| H10 | C13 | N12 | H40 | 176.5° | 11.5° |
| H11 | C13 | C14 | H12 | 75.3° | 92.9° |
| H11 | C13 | C14 | H13 | 44.5° | 147.1° |
| H11 | C13 | N12 | H40 | 64.0° | 132.1° |
| H12 | C14 | C43 | H36 | 63.0° | 150.1° |
| H12 | C14 | C43 | H37 | 177.8° | 30.2° |
| H13 | C14 | C43 | H36 | 56.7° | 89.9° |
| H13 | C14 | C43 | H37 | 62.5° | 150.2° |
| H14 | C18 | C42 | H34 | 107.0° | 80.3° |
| H14 | C18 | C42 | H35 | 134.6° | 39.7° |
| H14 | C18 | N19 | H42 | 171.8° | 145.0° |
| H15 | C22 | C23 | H16 | 175.4° | 65.0° |
| H15 | C22 | C23 | H17 | 56.9° | 175.0° |
| H15 | C22 | N30 | H43 | 170.5° | 167.9° |
| H18 | C25 | C26 | H19 | 0.2° | 0.0° |
| H19 | C26 | C27 | H20 | 0.0° | 0.0° |
| H20 | C27 | C29 | H22 | 0.1° | 0.3° |
| H21 | C28 | C29 | H22 | 0.4° | 0.6° |
| H23 | C34 | C39 | H27 | 73.4° | 175.3° |
| H23 | C34 | N33 | H44 | 161.1° | 155.1° |
| H24 | C38 | H25 | H26 | 120.0° | 120.0° |
| H27 | C39 | C40 | H28 | 62.8° | 180.0° |
| H27 | C39 | C40 | H29 | 57.2° | 60.0° |
| H27 | C39 | C40 | H30 | 177.2° | 59.9° |
| H27 | C39 | C41 | H31 | 62.2° | 54.6° |
| H27 | C39 | C41 | H32 | 177.8° | 65.5° |
| H27 | C39 | C41 | H33 | 57.8° | 174.5° |
| H28 | C40 | H29 | H30 | 120.0° | 120.0° |
| H31 | C41 | H32 | H33 | 120.0° | 119.9° |
| H34 | C42 | C43 | H36 | 41.8° | 98.7° |
| H34 | C42 | C43 | H37 | 161.0° | 141.3° |
| H35 | C42 | C43 | H36 | 160.1° | 141.3° |
| H35 | C42 | C43 | H37 | 80.6° | 21.3° |
| H38 | C44 | C45 | H39 | 0.1° | 0.0° |
