A1ACH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C27 | sing | 1.51Å | 1.53Å | |
| C02 | N03 | sing | 1.35Å | 1.48Å | |
| C02 | O01 | doub | 1.21Å | 1.17Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C09 | sing | 1.51Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.49Å | |
| C05 | C06 | sing | 1.53Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.49Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | N03 | sing | 1.47Å | 1.51Å | |
| C09 | N10 | sing | 1.35Å | 1.50Å | |
| C09 | O26 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C12 | N13 | sing | 1.35Å | 1.47Å | |
| C12 | O14 | doub | 1.21Å | 1.19Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C16 | C17 | doub | 1.34Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.46Å | 1.44Å | Aromatic |
| C17 | N18 | sing | 1.37Å | 1.33Å | Aromatic |
| C19 | C20 | doub | 1.41Å | 1.37Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | N18 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.37Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C43 | sing | 1.53Å | 1.57Å | |
| C27 | N28 | sing | 1.47Å | 1.45Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | N28 | sing | 1.35Å | 1.47Å | |
| C29 | O32 | doub | 1.21Å | 1.18Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | N28 | sing | 1.47Å | 1.44Å | |
| C34 | C35 | doub | 1.35Å | 1.36Å | Aromatic |
| C34 | N42 | sing | 1.37Å | 1.35Å | Aromatic |
| C35 | C36 | sing | 1.45Å | 1.45Å | Aromatic |
| C35 | C43 | sing | 1.51Å | 1.56Å | |
| C36 | C37 | doub | 1.40Å | 1.42Å | Aromatic |
| C36 | C41 | sing | 1.42Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.37Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.39Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.42Å | Aromatic |
| C41 | N42 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| N18 | H4 | sing | 0.97Å | 1.00Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.08Å | 1.08Å | |
| C40 | H27 | sing | 1.08Å | 1.08Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| N10 | H30 | sing | 0.97Å | 1.00Å | |
| N13 | H31 | sing | 0.97Å | 1.00Å | |
| N13 | H32 | sing | 0.97Å | 1.00Å | |
| N42 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C02 | N03 | 112.9° | 120.0° |
| C27 | C02 | O01 | 122.4° | 120.0° |
| C02 | C27 | C43 | 114.4° | 109.5° |
| C02 | C27 | N28 | 110.1° | 109.6° |
| C02 | C27 | H7 | 104.2° | 109.7° |
| N03 | C02 | O01 | 124.6° | 120.0° |
| C02 | N03 | C04 | 121.9° | 120.6° |
| C02 | N03 | C08 | 123.7° | 120.7° |
| C05 | C04 | C09 | 112.9° | 109.6° |
| C05 | C04 | N03 | 113.3° | 108.7° |
| C04 | C05 | C06 | 114.2° | 109.3° |
| C05 | C04 | H13 | 108.0° | 109.6° |
| C04 | C05 | H14 | 108.3° | 109.5° |
| C04 | C05 | H15 | 108.3° | 109.5° |
| C09 | C04 | N03 | 106.1° | 109.5° |
| C04 | C09 | N10 | 116.7° | 119.9° |
| C04 | C09 | O26 | 121.5° | 120.0° |
| C09 | C04 | H13 | 107.9° | 109.6° |
| C04 | N03 | C08 | 114.3° | 118.7° |
| N03 | C04 | H13 | 108.4° | 109.7° |
| C05 | C06 | C07 | 113.8° | 109.5° |
| C06 | C05 | H14 | 108.3° | 109.5° |
| C06 | C05 | H15 | 108.3° | 109.5° |
| C05 | C06 | H16 | 108.4° | 109.4° |
| C05 | C06 | H17 | 108.4° | 109.4° |
| C06 | C07 | C08 | 110.3° | 109.3° |
| C07 | C06 | H16 | 108.4° | 109.5° |
| C07 | C06 | H17 | 108.4° | 109.5° |
| C06 | C07 | H18 | 109.3° | 109.5° |
| C06 | C07 | H19 | 109.3° | 109.5° |
| C07 | C08 | N03 | 111.9° | 108.8° |
| C08 | C07 | H18 | 109.3° | 109.5° |
| C08 | C07 | H19 | 109.3° | 109.5° |
| C07 | C08 | H20 | 108.8° | 109.5° |
| C07 | C08 | H21 | 108.9° | 109.6° |
| N03 | C08 | H20 | 108.9° | 109.6° |
| N03 | C08 | H21 | 108.9° | 109.6° |
| N10 | C09 | O26 | 121.7° | 120.0° |
| C09 | N10 | C11 | 120.0° | 120.0° |
| C09 | N10 | H30 | 120.0° | 120.0° |
| C12 | C11 | C15 | 109.8° | 109.5° |
| C12 | C11 | N10 | 107.3° | 109.5° |
| C11 | C12 | N13 | 118.9° | 120.0° |
| C11 | C12 | O14 | 120.7° | 120.0° |
| C12 | C11 | H1 | 110.0° | 109.5° |
| C15 | C11 | N10 | 108.5° | 109.5° |
| C11 | C15 | C16 | 113.7° | 109.4° |
| C15 | C11 | H1 | 110.1° | 109.5° |
| C11 | C15 | H2 | 108.4° | 109.5° |
| C11 | C15 | H3 | 108.4° | 109.5° |
| N10 | C11 | H1 | 111.1° | 109.5° |
| C11 | N10 | H30 | 120.0° | 120.0° |
| N13 | C12 | O14 | 120.3° | 120.0° |
| C12 | N13 | H31 | 120.0° | 120.0° |
| C12 | N13 | H32 | 120.0° | 120.0° |
| C15 | C16 | C17 | 126.5° | 126.5° |
| C15 | C16 | C20 | 127.4° | 126.5° |
| C16 | C15 | H2 | 108.4° | 109.5° |
| C16 | C15 | H3 | 108.4° | 109.5° |
| C17 | C16 | C20 | 106.1° | 107.0° |
| C16 | C17 | N18 | 108.5° | 109.9° |
| C16 | C17 | H22 | 125.7° | 125.0° |
| C16 | C20 | C19 | 106.6° | 106.1° |
| C16 | C20 | C21 | 133.8° | 134.0° |
| C17 | N18 | C19 | 110.6° | 109.9° |
| C17 | N18 | H4 | 124.7° | 125.1° |
| N18 | C17 | H22 | 125.7° | 125.1° |
| C20 | C19 | C25 | 120.1° | 119.5° |
| C20 | C19 | N18 | 108.2° | 107.1° |
| C19 | C20 | C21 | 119.6° | 119.9° |
| C25 | C19 | N18 | 131.7° | 133.4° |
| C19 | C25 | C24 | 120.3° | 119.9° |
| C19 | C25 | H23 | 119.8° | 120.0° |
| C19 | N18 | H4 | 124.7° | 125.1° |
| C20 | C21 | C22 | 120.2° | 119.7° |
| C20 | C21 | H5 | 119.9° | 120.2° |
| C21 | C22 | C24 | 120.4° | 120.3° |
| C21 | C22 | F23 | 119.3° | 119.9° |
| C22 | C21 | H5 | 119.9° | 120.2° |
| C24 | C22 | F23 | 120.3° | 119.8° |
| C22 | C24 | C25 | 119.3° | 120.6° |
| C22 | C24 | H6 | 120.3° | 119.7° |
| C25 | C24 | H6 | 120.3° | 119.7° |
| C24 | C25 | H23 | 119.8° | 120.0° |
| C43 | C27 | N28 | 117.8° | 108.9° |
| C27 | C43 | C35 | 107.0° | 109.0° |
| C43 | C27 | H7 | 103.8° | 109.6° |
| C27 | C43 | H28 | 110.1° | 109.6° |
| C27 | C43 | H29 | 110.1° | 109.6° |
| C27 | N28 | C29 | 116.3° | 120.9° |
| C27 | N28 | C33 | 119.9° | 118.3° |
| N28 | C27 | H7 | 105.0° | 109.6° |
| C30 | C29 | N28 | 113.9° | 120.0° |
| C30 | C29 | O32 | 121.4° | 120.0° |
| C29 | C30 | H8 | 109.5° | 109.5° |
| C29 | C30 | H9 | 109.5° | 109.5° |
| C29 | C30 | H10 | 109.5° | 109.5° |
| N28 | C29 | O32 | 123.8° | 120.0° |
| C29 | N28 | C33 | 123.8° | 120.9° |
| C34 | C33 | N28 | 108.4° | 107.5° |
| C33 | C34 | C35 | 121.1° | 123.5° |
| C33 | C34 | N42 | 126.6° | 126.6° |
| C34 | C33 | H11 | 109.7° | 109.9° |
| C34 | C33 | H12 | 109.7° | 109.9° |
| N28 | C33 | H11 | 109.7° | 109.9° |
| N28 | C33 | H12 | 109.8° | 109.8° |
| C35 | C34 | N42 | 112.3° | 109.9° |
| C34 | C35 | C36 | 105.4° | 107.0° |
| C34 | C35 | C43 | 119.8° | 124.7° |
| C34 | N42 | C41 | 106.4° | 109.8° |
| C34 | N42 | H33 | 126.8° | 125.1° |
| C36 | C35 | C43 | 134.8° | 128.3° |
| C35 | C36 | C37 | 132.8° | 132.6° |
| C35 | C36 | C41 | 105.3° | 106.0° |
| C35 | C43 | H28 | 110.1° | 109.5° |
| C35 | C43 | H29 | 110.1° | 109.5° |
| C37 | C36 | C41 | 121.9° | 121.3° |
| C36 | C37 | C38 | 117.6° | 116.8° |
| C36 | C37 | H24 | 121.2° | 121.6° |
| C36 | C41 | C40 | 120.0° | 120.6° |
| C36 | C41 | N42 | 110.6° | 107.3° |
| C37 | C38 | C39 | 120.9° | 122.1° |
| C38 | C37 | H24 | 121.2° | 121.6° |
| C37 | C38 | H25 | 119.5° | 118.9° |
| C38 | C39 | C40 | 120.8° | 122.3° |
| C39 | C38 | H25 | 119.6° | 119.0° |
| C38 | C39 | H26 | 119.6° | 118.9° |
| C39 | C40 | C41 | 118.8° | 116.9° |
| C40 | C39 | H26 | 119.6° | 118.9° |
| C39 | C40 | H27 | 120.6° | 121.5° |
| C40 | C41 | N42 | 129.4° | 132.1° |
| C41 | C40 | H27 | 120.6° | 121.6° |
| C41 | N42 | H33 | 126.8° | 125.1° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H8 | C30 | H9 | 109.5° | 109.5° |
| H8 | C30 | H10 | 109.4° | 109.5° |
| H9 | C30 | H10 | 109.5° | 109.4° |
| H11 | C33 | H12 | 109.5° | 109.8° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H16 | C06 | H17 | 109.5° | 109.4° |
| H18 | C07 | H19 | 109.4° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.6° |
| H28 | C43 | H29 | 109.5° | 109.7° |
| H31 | N13 | H32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C02 | N03 | O01 | 176.7° | 180.0° |
| C27 | C02 | N03 | C04 | 178.1° | 178.3° |
| C27 | C02 | N03 | C08 | 1.9° | 1.8° |
| C02 | C27 | C43 | N28 | 131.7° | 119.8° |
| C02 | C27 | C43 | H7 | 112.8° | 120.3° |
| C02 | C27 | N28 | H7 | 111.6° | 120.4° |
| C02 | C27 | N28 | C29 | 59.1° | 4.1° |
| C02 | C27 | N28 | C33 | 121.5° | 175.8° |
| C02 | C27 | C43 | C35 | 160.8° | 165.1° |
| C02 | C27 | C43 | H28 | 41.2° | 45.2° |
| C02 | C27 | C43 | H29 | 79.6° | 75.2° |
| C02 | N03 | C04 | C05 | 135.1° | 126.4° |
| C02 | N03 | C04 | C09 | 100.5° | 6.7° |
| C02 | N03 | C04 | C08 | 180.0° | 179.9° |
| C02 | N03 | C08 | C07 | 128.4° | 126.4° |
| N03 | C02 | C27 | C43 | 92.0° | 112.7° |
| N03 | C02 | C27 | N28 | 132.8° | 127.9° |
| N03 | C02 | C27 | H7 | 20.7° | 7.6° |
| C02 | N03 | C04 | H13 | 15.2° | 113.7° |
| C02 | N03 | C08 | H20 | 111.3° | 6.6° |
| C02 | N03 | C08 | H21 | 8.0° | 113.8° |
| O01 | C02 | N03 | C04 | 1.5° | 1.7° |
| O01 | C02 | N03 | C08 | 178.6° | 178.2° |
| O01 | C02 | C27 | C43 | 91.3° | 67.3° |
| O01 | C02 | C27 | N28 | 44.0° | 52.1° |
| O01 | C02 | C27 | H7 | 156.1° | 172.4° |
| C05 | C04 | C09 | N03 | 124.6° | 119.2° |
| C05 | C04 | C09 | H13 | 119.3° | 120.4° |
| C05 | C04 | N03 | H13 | 119.9° | 119.9° |
| C04 | C05 | C06 | H14 | 120.7° | 120.0° |
| C04 | C05 | C06 | H15 | 120.7° | 120.0° |
| C04 | C05 | C06 | C07 | 49.2° | 61.4° |
| C05 | C04 | N03 | C08 | 44.9° | 53.7° |
| C05 | C04 | C09 | N10 | 177.5° | 111.8° |
| C05 | C04 | C09 | O26 | 3.5° | 68.3° |
| C04 | C05 | H14 | H15 | 117.9° | 120.0° |
| C04 | C05 | C06 | H16 | 71.4° | 178.6° |
| C04 | C05 | C06 | H17 | 169.8° | 58.7° |
| C09 | C04 | N03 | H13 | 115.7° | 120.4° |
| C09 | C04 | C05 | C06 | 77.4° | 174.4° |
| C09 | C04 | N03 | C08 | 79.5° | 173.4° |
| C04 | C09 | N10 | O26 | 179.1° | 180.0° |
| C04 | C09 | N10 | C11 | 179.4° | 180.0° |
| C09 | C04 | C05 | H14 | 43.3° | 54.4° |
| C09 | C04 | C05 | H15 | 162.0° | 65.6° |
| C04 | C09 | N10 | H30 | 0.6° | 0.1° |
| N03 | C04 | C05 | C06 | 43.2° | 54.7° |
| C04 | N03 | C08 | C07 | 51.7° | 53.7° |
| N03 | C04 | C09 | N10 | 57.9° | 129.0° |
| N03 | C04 | C09 | O26 | 121.2° | 51.0° |
| N03 | C04 | C05 | H14 | 163.9° | 65.3° |
| N03 | C04 | C05 | H15 | 77.4° | 174.6° |
| C04 | N03 | C08 | H20 | 68.7° | 173.4° |
| C04 | N03 | C08 | H21 | 172.0° | 66.2° |
| C05 | C06 | C07 | H16 | 120.6° | 120.0° |
| C05 | C06 | C07 | H17 | 120.7° | 120.0° |
| C05 | C06 | C07 | C08 | 54.7° | 61.3° |
| C06 | C05 | C04 | H13 | 163.4° | 65.3° |
| C06 | C05 | H14 | H15 | 117.8° | 120.1° |
| C05 | C06 | H16 | H17 | 118.1° | 119.9° |
| C05 | C06 | C07 | H18 | 174.9° | 58.6° |
| C05 | C06 | C07 | H19 | 65.4° | 178.7° |
| C06 | C07 | C08 | H18 | 120.1° | 119.9° |
| C06 | C07 | C08 | H19 | 120.1° | 120.0° |
| C06 | C07 | C08 | N03 | 55.3° | 54.6° |
| C07 | C06 | C05 | H14 | 169.8° | 58.6° |
| C07 | C06 | C05 | H15 | 71.5° | 178.7° |
| C07 | C06 | H16 | H17 | 118.0° | 120.0° |
| C06 | C07 | H18 | H19 | 119.6° | 120.1° |
| C06 | C07 | C08 | H20 | 65.0° | 174.5° |
| C06 | C07 | C08 | H21 | 175.7° | 65.2° |
| C07 | C08 | N03 | H20 | 120.3° | 119.8° |
| C07 | C08 | N03 | H21 | 120.4° | 119.8° |
| C08 | C07 | C06 | H16 | 65.9° | 178.7° |
| C08 | C07 | C06 | H17 | 175.4° | 58.7° |
| C08 | C07 | H18 | H19 | 119.6° | 120.1° |
| C07 | C08 | H20 | H21 | 118.9° | 120.3° |
| C08 | N03 | C04 | H13 | 164.8° | 66.2° |
| N03 | C08 | C07 | H18 | 175.4° | 65.2° |
| N03 | C08 | C07 | H19 | 64.8° | 174.6° |
| N03 | C08 | H20 | H21 | 118.9° | 120.4° |
| C09 | N10 | C11 | C12 | 62.5° | 84.9° |
| C09 | N10 | C11 | C15 | 178.8° | 155.1° |
| C09 | N10 | C11 | H30 | 180.0° | 179.9° |
| C09 | N10 | C11 | H1 | 57.7° | 35.0° |
| N10 | C09 | C04 | H13 | 58.1° | 8.6° |
| O26 | C09 | N10 | C11 | 1.5° | 0.0° |
| O26 | C09 | C04 | H13 | 122.8° | 171.4° |
| O26 | C09 | N10 | H30 | 178.5° | 180.0° |
| C12 | C11 | C15 | N10 | 117.0° | 120.0° |
| C12 | C11 | C15 | H1 | 121.2° | 120.0° |
| C12 | C11 | N10 | H1 | 120.2° | 120.0° |
| C11 | C12 | N13 | O14 | 179.7° | 180.0° |
| C12 | C11 | C15 | C16 | 179.6° | 175.0° |
| C12 | C11 | C15 | H2 | 59.8° | 65.0° |
| C12 | C11 | C15 | H3 | 58.9° | 55.0° |
| C12 | C11 | N10 | H30 | 117.5° | 95.0° |
| C11 | C12 | N13 | H31 | 179.6° | 0.0° |
| C11 | C12 | N13 | H32 | 0.3° | 180.0° |
| C15 | C11 | N10 | H1 | 121.1° | 120.0° |
| C15 | C11 | C12 | N13 | 85.5° | 60.0° |
| C15 | C11 | C12 | O14 | 94.8° | 119.9° |
| C11 | C15 | C16 | H2 | 120.6° | 120.0° |
| C11 | C15 | C16 | H3 | 120.6° | 120.0° |
| C11 | C15 | C16 | C17 | 118.6° | 95.0° |
| C11 | C15 | C16 | C20 | 62.5° | 85.3° |
| C11 | C15 | H2 | H3 | 118.1° | 120.0° |
| C15 | C11 | N10 | H30 | 1.2° | 25.0° |
| N10 | C11 | C12 | N13 | 32.2° | 180.0° |
| N10 | C11 | C12 | O14 | 147.4° | 0.1° |
| N10 | C11 | C15 | C16 | 63.4° | 65.0° |
| N10 | C11 | C15 | H2 | 57.2° | 55.0° |
| N10 | C11 | C15 | H3 | 176.0° | 175.0° |
| N13 | C12 | C11 | H1 | 153.2° | 60.0° |
| C12 | N13 | H31 | H32 | 180.0° | 180.0° |
| O14 | C12 | C11 | H1 | 26.5° | 120.1° |
| O14 | C12 | N13 | H31 | 0.0° | 179.9° |
| O14 | C12 | N13 | H32 | 180.0° | 0.0° |
| C15 | C16 | C17 | C20 | 179.1° | 179.7° |
| C15 | C16 | C17 | N18 | 178.9° | 180.0° |
| C15 | C16 | C20 | C19 | 179.0° | 180.0° |
| C15 | C16 | C20 | C21 | 1.0° | 0.0° |
| C16 | C15 | C11 | H1 | 58.3° | 55.0° |
| C16 | C15 | H2 | H3 | 118.1° | 120.0° |
| C15 | C16 | C17 | H22 | 1.1° | 0.0° |
| C16 | C17 | N18 | H22 | 180.0° | 179.9° |
| C17 | C16 | C20 | C19 | 0.1° | 0.3° |
| C16 | C17 | N18 | C19 | 0.3° | 0.1° |
| C17 | C16 | C20 | C21 | 179.9° | 179.7° |
| C17 | C16 | C15 | H2 | 2.1° | 144.9° |
| C17 | C16 | C15 | H3 | 120.8° | 24.9° |
| C16 | C17 | N18 | H4 | 179.7° | 179.8° |
| C20 | C16 | C17 | N18 | 0.2° | 0.3° |
| C16 | C20 | C19 | C21 | 180.0° | 180.0° |
| C16 | C20 | C19 | C25 | 179.6° | 180.0° |
| C16 | C20 | C19 | N18 | 0.1° | 0.2° |
| C16 | C20 | C21 | C22 | 179.9° | 180.0° |
| C20 | C16 | C15 | H2 | 176.9° | 34.7° |
| C20 | C16 | C15 | H3 | 58.1° | 154.7° |
| C16 | C20 | C21 | H5 | 0.1° | 0.0° |
| C20 | C16 | C17 | H22 | 179.8° | 179.7° |
| C17 | N18 | C19 | C20 | 0.2° | 0.1° |
| C17 | N18 | C19 | C25 | 179.4° | 179.8° |
| C17 | N18 | C19 | H4 | 180.0° | 179.9° |
| C20 | C19 | C25 | N18 | 179.6° | 179.8° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C25 | C24 | 0.3° | 0.0° |
| C20 | C19 | N18 | H4 | 179.8° | 180.0° |
| C19 | C20 | C21 | H5 | 179.9° | 180.0° |
| C20 | C19 | C25 | H23 | 179.7° | 179.9° |
| C25 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C25 | C24 | C22 | 0.2° | 0.0° |
| C19 | C25 | C24 | H23 | 180.0° | 179.9° |
| C25 | C19 | N18 | H4 | 0.6° | 0.2° |
| C19 | C25 | C24 | H6 | 179.7° | 180.0° |
| N18 | C19 | C20 | C21 | 179.9° | 179.8° |
| N18 | C19 | C25 | C24 | 179.9° | 179.7° |
| C19 | N18 | C17 | H22 | 179.7° | 179.8° |
| N18 | C19 | C25 | H23 | 0.1° | 0.2° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C20 | C21 | C22 | C24 | 0.7° | 0.0° |
| C20 | C21 | C22 | F23 | 179.7° | 180.0° |
| C21 | C22 | C24 | F23 | 179.0° | 180.0° |
| C21 | C22 | C24 | C25 | 0.8° | 0.0° |
| C21 | C22 | C24 | H6 | 179.2° | 179.9° |
| C22 | C24 | C25 | H6 | 180.0° | 179.9° |
| C24 | C22 | C21 | H5 | 179.3° | 180.0° |
| C22 | C24 | C25 | H23 | 179.8° | 179.9° |
| F23 | C22 | C24 | C25 | 179.8° | 180.0° |
| F23 | C22 | C21 | H5 | 0.3° | 0.0° |
| F23 | C22 | C24 | H6 | 0.2° | 0.0° |
| C43 | C27 | N28 | H7 | 114.8° | 119.9° |
| C43 | C27 | N28 | C29 | 167.3° | 115.6° |
| C43 | C27 | N28 | C33 | 12.1° | 64.4° |
| C27 | C43 | C35 | C34 | 36.6° | 17.9° |
| C27 | C43 | C35 | C36 | 144.5° | 162.5° |
| C27 | C43 | C35 | H28 | 119.6° | 119.9° |
| C27 | C43 | C35 | H29 | 119.6° | 119.8° |
| C27 | C43 | H28 | H29 | 121.2° | 120.3° |
| C27 | N28 | C29 | C30 | 171.7° | 173.7° |
| C27 | N28 | C29 | C33 | 179.5° | 180.0° |
| C27 | N28 | C29 | O32 | 2.8° | 6.4° |
| C27 | N28 | C33 | C34 | 46.9° | 44.5° |
| N28 | C27 | C43 | C35 | 29.1° | 45.2° |
| C27 | N28 | C33 | H11 | 72.9° | 164.0° |
| C27 | N28 | C33 | H12 | 166.7° | 75.0° |
| N28 | C27 | C43 | H28 | 90.5° | 74.6° |
| N28 | C27 | C43 | H29 | 148.7° | 165.0° |
| C30 | C29 | N28 | O32 | 168.9° | 179.9° |
| C30 | C29 | N28 | C33 | 7.7° | 6.4° |
| C29 | C30 | H8 | H9 | 120.0° | 120.1° |
| C29 | C30 | H8 | H10 | 120.0° | 120.0° |
| C29 | C30 | H9 | H10 | 120.0° | 120.0° |
| C29 | N28 | C33 | C34 | 132.5° | 135.5° |
| C29 | N28 | C27 | H7 | 52.5° | 124.5° |
| N28 | C29 | C30 | H8 | 169.2° | 92.7° |
| N28 | C29 | C30 | H9 | 70.8° | 147.2° |
| N28 | C29 | C30 | H10 | 49.2° | 27.3° |
| C29 | N28 | C33 | H11 | 107.7° | 16.0° |
| C29 | N28 | C33 | H12 | 12.7° | 104.9° |
| O32 | C29 | N28 | C33 | 176.7° | 173.6° |
| O32 | C29 | C30 | H8 | 0.0° | 87.2° |
| O32 | C29 | C30 | H9 | 120.0° | 32.8° |
| O32 | C29 | C30 | H10 | 120.0° | 152.8° |
| C34 | C33 | N28 | H11 | 119.8° | 119.5° |
| C34 | C33 | N28 | H12 | 119.8° | 119.5° |
| C33 | C34 | C35 | N42 | 178.4° | 180.0° |
| C33 | C34 | C35 | C36 | 178.4° | 179.8° |
| C33 | C34 | C35 | C43 | 2.4° | 0.5° |
| C33 | C34 | N42 | C41 | 177.9° | 179.9° |
| C34 | C33 | H11 | H12 | 120.5° | 121.0° |
| C33 | C34 | N42 | H33 | 2.1° | 0.1° |
| N28 | C33 | C34 | C35 | 40.1° | 11.4° |
| N28 | C33 | C34 | N42 | 138.1° | 168.6° |
| C33 | N28 | C27 | H7 | 126.9° | 55.5° |
| N28 | C33 | H11 | H12 | 120.5° | 120.9° |
| C34 | C35 | C36 | C43 | 179.0° | 179.7° |
| C34 | C35 | C36 | C37 | 179.8° | 179.8° |
| C34 | C35 | C36 | C41 | 0.3° | 0.2° |
| C35 | C34 | N42 | C41 | 0.4° | 0.1° |
| C35 | C34 | C33 | H11 | 79.7° | 130.9° |
| C35 | C34 | C33 | H12 | 159.9° | 108.1° |
| C34 | C35 | C43 | H28 | 83.1° | 102.0° |
| C34 | C35 | C43 | H29 | 156.2° | 137.7° |
| C35 | C34 | N42 | H33 | 179.6° | 179.9° |
| N42 | C34 | C35 | C36 | 0.0° | 0.2° |
| N42 | C34 | C35 | C43 | 179.2° | 179.5° |
| C34 | N42 | C41 | C36 | 0.6° | 0.0° |
| C34 | N42 | C41 | C40 | 180.0° | 180.0° |
| C34 | N42 | C41 | H33 | 180.0° | 180.0° |
| N42 | C34 | C33 | H11 | 102.1° | 49.0° |
| N42 | C34 | C33 | H12 | 18.2° | 71.9° |
| C35 | C36 | C37 | C41 | 179.4° | 180.0° |
| C35 | C36 | C37 | C38 | 179.9° | 179.9° |
| C35 | C36 | C41 | C40 | 180.0° | 179.9° |
| C35 | C36 | C41 | N42 | 0.6° | 0.1° |
| C35 | C36 | C37 | H24 | 0.1° | 0.1° |
| C36 | C35 | C43 | H28 | 95.9° | 77.7° |
| C36 | C35 | C43 | H29 | 24.9° | 42.6° |
| C43 | C35 | C36 | C37 | 1.1° | 0.5° |
| C43 | C35 | C36 | C41 | 179.4° | 179.5° |
| C35 | C43 | C27 | H7 | 86.3° | 74.6° |
| C35 | C43 | H28 | H29 | 121.1° | 120.2° |
| C36 | C37 | C38 | H24 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.3° | 0.0° |
| C37 | C36 | C41 | C40 | 0.4° | 0.1° |
| C37 | C36 | C41 | N42 | 179.8° | 179.9° |
| C36 | C37 | C38 | H25 | 179.7° | 180.0° |
| C41 | C36 | C37 | C38 | 0.5° | 0.0° |
| C36 | C41 | C40 | C39 | 0.1° | 0.1° |
| C36 | C41 | C40 | N42 | 179.3° | 180.0° |
| C41 | C36 | C37 | H24 | 179.5° | 179.9° |
| C36 | C41 | C40 | H27 | 179.9° | 179.9° |
| C36 | C41 | N42 | H33 | 179.4° | 180.0° |
| C37 | C38 | C39 | H25 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | H26 | 180.0° | 179.9° |
| C38 | C39 | C40 | H26 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.0° |
| C39 | C38 | C37 | H24 | 179.7° | 180.0° |
| C38 | C39 | C40 | H27 | 179.9° | 180.0° |
| C39 | C40 | C41 | H27 | 180.0° | 180.0° |
| C39 | C40 | C41 | N42 | 179.4° | 179.9° |
| C40 | C39 | C38 | H25 | 180.0° | 180.0° |
| C41 | C40 | C39 | H26 | 179.9° | 180.0° |
| C40 | C41 | N42 | H33 | 0.0° | 0.0° |
| N42 | C41 | C40 | H27 | 0.6° | 0.1° |
| H1 | C11 | C15 | H2 | 179.0° | 175.0° |
| H1 | C11 | C15 | H3 | 62.3° | 65.0° |
| H1 | C11 | N10 | H30 | 122.3° | 145.0° |
| H4 | N18 | C17 | H22 | 0.3° | 0.3° |
| H6 | C24 | C25 | H23 | 0.3° | 0.1° |
| H7 | C27 | C43 | H28 | 154.1° | 165.5° |
| H7 | C27 | C43 | H29 | 33.3° | 45.2° |
| H8 | C30 | H9 | H10 | 120.0° | 120.0° |
| H13 | C04 | C05 | H14 | 76.0° | 174.7° |
| H13 | C04 | C05 | H15 | 42.7° | 54.7° |
| H14 | C05 | C06 | H16 | 49.2° | 61.4° |
| H14 | C05 | C06 | H17 | 69.5° | 178.7° |
| H15 | C05 | C06 | H16 | 167.9° | 58.6° |
| H15 | C05 | C06 | H17 | 49.1° | 61.3° |
| H16 | C06 | C07 | H18 | 54.3° | 61.5° |
| H16 | C06 | C07 | H19 | 174.0° | 58.7° |
| H17 | C06 | C07 | H18 | 64.4° | 178.6° |
| H17 | C06 | C07 | H19 | 55.3° | 61.3° |
| H18 | C07 | C08 | H20 | 55.1° | 54.6° |
| H18 | C07 | C08 | H21 | 64.2° | 174.9° |
| H19 | C07 | C08 | H20 | 174.8° | 65.5° |
| H19 | C07 | C08 | H21 | 55.5° | 54.8° |
| H24 | C37 | C38 | H25 | 0.3° | 0.1° |
| H25 | C38 | C39 | H26 | 0.0° | 0.0° |
| H26 | C39 | C40 | H27 | 0.1° | 0.0° |
