A1EB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C43 | sing | 1.53Å | 1.51Å | |
| C43 | C42 | sing | 1.51Å | 1.51Å | |
| O45 | C42 | doub | 1.21Å | 1.23Å | |
| C42 | N41 | sing | 1.35Å | 1.35Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N18 | C19 | doub | 1.32Å | 1.33Å | Aromatic |
| N18 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| N16 | C15 | sing | 1.47Å | 1.46Å | |
| N16 | C17 | sing | 1.39Å | 1.40Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C25 | sing | 1.53Å | 1.53Å | |
| C17 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| N41 | C40 | sing | 1.40Å | 1.41Å | |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C46 | C40 | doub | 1.39Å | 1.39Å | Aromatic |
| C46 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 1.49Å | |
| C12 | C26 | sing | 1.53Å | 1.52Å | |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C20 | C21 | sing | 1.43Å | 1.44Å | |
| C20 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C40 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C02 | N11 | sing | 1.35Å | 1.41Å | |
| C02 | N03 | sing | 1.35Å | 1.34Å | |
| N11 | C27 | sing | 1.40Å | 1.43Å | |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C05 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | N22 | trip | 1.14Å | 1.14Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N03 | C04 | sing | 1.46Å | 1.45Å | |
| C32 | N31 | sing | 1.47Å | 1.47Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C30 | N31 | sing | 1.40Å | 1.42Å | |
| C30 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| N31 | C39 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C34 | N35 | sing | 1.47Å | 1.48Å | |
| C34 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | N35 | sing | 1.47Å | 1.46Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | N35 | sing | 1.47Å | 1.46Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C44 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C46 | H43 | sing | 1.08Å | 1.08Å | |
| N03 | H44 | sing | 0.97Å | 1.00Å | |
| N16 | H45 | sing | 0.97Å | 1.00Å | |
| N41 | H47 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C43 | C42 | 115.4° | 109.5° |
| C44 | C43 | H38 | 108.0° | 109.5° |
| C44 | C43 | H39 | 107.9° | 109.5° |
| C43 | C44 | H40 | 109.5° | 109.5° |
| C43 | C44 | H41 | 109.5° | 109.5° |
| C43 | C44 | H42 | 109.4° | 109.5° |
| C43 | C42 | O45 | 121.7° | 120.0° |
| C43 | C42 | N41 | 115.7° | 120.0° |
| C42 | C43 | H38 | 108.0° | 109.5° |
| C42 | C43 | H39 | 108.0° | 109.4° |
| O45 | C42 | N41 | 122.1° | 120.0° |
| C42 | N41 | C40 | 123.2° | 120.0° |
| C42 | N41 | H47 | 118.4° | 120.0° |
| C13 | C14 | C15 | 112.5° | 109.4° |
| C14 | C13 | C12 | 110.7° | 109.5° |
| C14 | C13 | H9 | 109.2° | 109.4° |
| C14 | C13 | H10 | 109.2° | 109.4° |
| C13 | C14 | H11 | 108.7° | 109.5° |
| C13 | C14 | H12 | 108.7° | 109.5° |
| C14 | C15 | N16 | 111.0° | 109.5° |
| C14 | C15 | C25 | 111.8° | 109.5° |
| C15 | C14 | H11 | 108.7° | 109.5° |
| C15 | C14 | H12 | 108.7° | 109.5° |
| C14 | C15 | H13 | 106.4° | 109.5° |
| C19 | N18 | C17 | 118.3° | 121.7° |
| N18 | C19 | C20 | 123.5° | 120.5° |
| N18 | C19 | H14 | 118.2° | 119.8° |
| N18 | C17 | N16 | 116.1° | 119.6° |
| N18 | C17 | C24 | 121.6° | 120.9° |
| C15 | N16 | C17 | 132.8° | 120.0° |
| N16 | C15 | C25 | 113.7° | 109.5° |
| N16 | C15 | H13 | 107.2° | 109.5° |
| C15 | N16 | H45 | 103.4° | 119.9° |
| N16 | C17 | C24 | 122.0° | 119.5° |
| C17 | N16 | H45 | 103.4° | 120.0° |
| C13 | C12 | N11 | 115.0° | 109.4° |
| C13 | C12 | C26 | 111.6° | 109.5° |
| C13 | C12 | H8 | 105.0° | 109.5° |
| C12 | C13 | H9 | 109.2° | 109.5° |
| C12 | C13 | H10 | 109.2° | 109.5° |
| C06 | C07 | C08 | 120.3° | 120.0° |
| C07 | C06 | C05 | 120.6° | 120.0° |
| C07 | C06 | H3 | 119.7° | 120.0° |
| C06 | C07 | H4 | 119.9° | 120.0° |
| C07 | C08 | C09 | 119.8° | 120.0° |
| C08 | C07 | H4 | 119.9° | 120.0° |
| C07 | C08 | H5 | 120.1° | 120.0° |
| C19 | C20 | C21 | 121.0° | 120.5° |
| C19 | C20 | C23 | 117.9° | 119.1° |
| C20 | C19 | H14 | 118.2° | 119.7° |
| C15 | C25 | C26 | 112.0° | 109.5° |
| C25 | C15 | H13 | 106.3° | 109.5° |
| C15 | C25 | H17 | 108.8° | 109.5° |
| C15 | C25 | H18 | 108.8° | 109.5° |
| C17 | C24 | C23 | 119.5° | 119.4° |
| C17 | C24 | H16 | 120.2° | 120.3° |
| N41 | C40 | C46 | 116.9° | 120.1° |
| N41 | C40 | C30 | 119.9° | 120.1° |
| C40 | N41 | H47 | 118.4° | 120.0° |
| C06 | C05 | C04 | 120.7° | 120.0° |
| C06 | C05 | C10 | 118.6° | 120.0° |
| C05 | C06 | H3 | 119.7° | 120.0° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C09 | C08 | H5 | 120.1° | 120.0° |
| C08 | C09 | H6 | 119.9° | 120.0° |
| C40 | C46 | C27 | 118.8° | 120.0° |
| C46 | C40 | C30 | 122.4° | 119.8° |
| C40 | C46 | H43 | 120.6° | 119.9° |
| C46 | C27 | N11 | 120.8° | 119.9° |
| C46 | C27 | C28 | 119.5° | 120.1° |
| C27 | C46 | H43 | 120.6° | 120.1° |
| N11 | C12 | C26 | 113.5° | 109.4° |
| C12 | N11 | C02 | 117.6° | 120.1° |
| C12 | N11 | C27 | 113.0° | 120.0° |
| N11 | C12 | H8 | 105.4° | 109.5° |
| C12 | C26 | C25 | 108.8° | 109.5° |
| C26 | C12 | H8 | 105.1° | 109.5° |
| C12 | C26 | H19 | 109.6° | 109.5° |
| C12 | C26 | H20 | 109.7° | 109.5° |
| O01 | C02 | N11 | 117.0° | 119.9° |
| O01 | C02 | N03 | 115.6° | 120.0° |
| C21 | C20 | C23 | 121.0° | 120.4° |
| C20 | C21 | N22 | 179.3° | 179.9° |
| C20 | C23 | C24 | 119.0° | 118.5° |
| C20 | C23 | H15 | 120.5° | 120.8° |
| C40 | C30 | N31 | 123.9° | 120.0° |
| C40 | C30 | C29 | 116.0° | 119.9° |
| C24 | C23 | H15 | 120.5° | 120.7° |
| C23 | C24 | H16 | 120.3° | 120.3° |
| C26 | C25 | H17 | 108.9° | 109.5° |
| C26 | C25 | H18 | 108.8° | 109.4° |
| C25 | C26 | H19 | 109.7° | 109.5° |
| C25 | C26 | H20 | 109.7° | 109.4° |
| N11 | C02 | N03 | 126.2° | 120.0° |
| C02 | N11 | C27 | 129.3° | 119.9° |
| C02 | N03 | C04 | 126.5° | 120.0° |
| C02 | N03 | H44 | 116.7° | 120.0° |
| N11 | C27 | C28 | 118.9° | 120.0° |
| C04 | C05 | C10 | 120.7° | 119.9° |
| C05 | C04 | N03 | 100.0° | 109.5° |
| C05 | C04 | H1 | 111.8° | 109.5° |
| C05 | C04 | H2 | 111.8° | 109.5° |
| C05 | C10 | C09 | 120.6° | 119.9° |
| C05 | C10 | H7 | 119.7° | 120.0° |
| C27 | C28 | C29 | 120.8° | 120.1° |
| C27 | C28 | H21 | 119.6° | 120.0° |
| C10 | C09 | H6 | 119.9° | 119.9° |
| C09 | C10 | H7 | 119.7° | 120.1° |
| N03 | C04 | H1 | 111.8° | 109.5° |
| N03 | C04 | H2 | 111.8° | 109.5° |
| C04 | N03 | H44 | 116.8° | 120.0° |
| N31 | C32 | C33 | 113.6° | 109.5° |
| C32 | N31 | C30 | 121.7° | 111.0° |
| C32 | N31 | C39 | 123.3° | 111.2° |
| N31 | C32 | H23 | 108.4° | 109.4° |
| N31 | C32 | H24 | 108.4° | 109.5° |
| C32 | C33 | C34 | 110.3° | 109.3° |
| C33 | C32 | H23 | 108.4° | 109.4° |
| C33 | C32 | H24 | 108.4° | 109.5° |
| C32 | C33 | H25 | 109.3° | 109.5° |
| C32 | C33 | H26 | 109.2° | 109.5° |
| N31 | C30 | C29 | 118.6° | 120.0° |
| C30 | N31 | C39 | 114.1° | 111.0° |
| C30 | C29 | C28 | 121.3° | 120.1° |
| C30 | C29 | H22 | 119.4° | 119.9° |
| N31 | C39 | C38 | 115.0° | 109.5° |
| N31 | C39 | H36 | 108.1° | 109.4° |
| N31 | C39 | H37 | 108.1° | 109.5° |
| C29 | C28 | H21 | 119.6° | 119.9° |
| C28 | C29 | H22 | 119.3° | 120.0° |
| C33 | C34 | N35 | 112.7° | 109.5° |
| C33 | C34 | C38 | 108.4° | 109.1° |
| C34 | C33 | H25 | 109.2° | 109.5° |
| C34 | C33 | H26 | 109.3° | 109.6° |
| C33 | C34 | H27 | 108.6° | 109.5° |
| N35 | C34 | C38 | 109.3° | 109.5° |
| C34 | N35 | C37 | 112.7° | 111.0° |
| C34 | N35 | C36 | 113.1° | 111.0° |
| N35 | C34 | H27 | 109.1° | 109.5° |
| C34 | C38 | C39 | 116.1° | 109.3° |
| C38 | C34 | H27 | 108.6° | 109.6° |
| C34 | C38 | H34 | 107.8° | 109.5° |
| C34 | C38 | H35 | 107.8° | 109.5° |
| C37 | N35 | C36 | 109.7° | 111.0° |
| N35 | C37 | H31 | 109.5° | 109.5° |
| N35 | C37 | H32 | 109.5° | 109.5° |
| N35 | C37 | H33 | 109.4° | 109.4° |
| C39 | C38 | H34 | 107.8° | 109.5° |
| C39 | C38 | H35 | 107.8° | 109.5° |
| C38 | C39 | H36 | 108.1° | 109.5° |
| C38 | C39 | H37 | 108.1° | 109.5° |
| N35 | C36 | H28 | 109.5° | 109.4° |
| N35 | C36 | H29 | 109.4° | 109.4° |
| N35 | C36 | H30 | 109.5° | 109.5° |
| H1 | C04 | H2 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.4° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
| H28 | C36 | H29 | 109.5° | 109.5° |
| H28 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H31 | C37 | H32 | 109.5° | 109.5° |
| H31 | C37 | H33 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.4° | 109.5° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H38 | C43 | H39 | 109.4° | 109.5° |
| H40 | C44 | H41 | 109.5° | 109.4° |
| H40 | C44 | H42 | 109.5° | 109.5° |
| H41 | C44 | H42 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C43 | C42 | H38 | 120.9° | 120.0° |
| C44 | C43 | C42 | H39 | 120.9° | 120.0° |
| C44 | C43 | C42 | O45 | 76.0° | 5.0° |
| C44 | C43 | C42 | N41 | 96.4° | 175.0° |
| C44 | C43 | H38 | H39 | 117.2° | 120.0° |
| C43 | C44 | H40 | H41 | 120.0° | 120.0° |
| C43 | C44 | H40 | H42 | 120.0° | 120.0° |
| C43 | C44 | H41 | H42 | 120.0° | 120.0° |
| C43 | C42 | O45 | N41 | 171.9° | 179.9° |
| C43 | C42 | N41 | C40 | 126.5° | 176.2° |
| C42 | C43 | H38 | H39 | 117.3° | 120.0° |
| C42 | C43 | C44 | H40 | 180.0° | 55.0° |
| C42 | C43 | C44 | H41 | 60.0° | 65.0° |
| C42 | C43 | C44 | H42 | 60.0° | 175.1° |
| C43 | C42 | N41 | H47 | 53.5° | 3.8° |
| O45 | C42 | N41 | C40 | 61.1° | 3.8° |
| O45 | C42 | C43 | H38 | 163.1° | 125.0° |
| O45 | C42 | C43 | H39 | 44.8° | 115.0° |
| O45 | C42 | N41 | H47 | 118.9° | 176.2° |
| C42 | N41 | C40 | H47 | 180.0° | 180.0° |
| C42 | N41 | C40 | C46 | 34.9° | 25.6° |
| C42 | N41 | C40 | C30 | 155.2° | 154.4° |
| N41 | C42 | C43 | H38 | 24.5° | 55.0° |
| N41 | C42 | C43 | H39 | 142.8° | 65.1° |
| C13 | C14 | C15 | H11 | 120.5° | 120.0° |
| C13 | C14 | C15 | H12 | 120.4° | 120.0° |
| C13 | C14 | C15 | N16 | 178.6° | 180.0° |
| C14 | C13 | C12 | H9 | 120.2° | 120.0° |
| C14 | C13 | C12 | H10 | 120.2° | 120.0° |
| C13 | C14 | C15 | C25 | 50.5° | 60.0° |
| C14 | C13 | C12 | N11 | 171.2° | 180.0° |
| C14 | C13 | C12 | C26 | 57.6° | 60.0° |
| C14 | C13 | C12 | H8 | 55.7° | 60.0° |
| C14 | C13 | H9 | H10 | 119.5° | 120.0° |
| C13 | C14 | H11 | H12 | 118.6° | 120.0° |
| C13 | C14 | C15 | H13 | 65.2° | 60.0° |
| C14 | C15 | N16 | C25 | 127.1° | 120.0° |
| C14 | C15 | N16 | H13 | 115.8° | 120.0° |
| C14 | C15 | N16 | C17 | 158.3° | 155.0° |
| C15 | C14 | C13 | C12 | 52.1° | 60.0° |
| C14 | C15 | C25 | H13 | 115.7° | 120.0° |
| C14 | C15 | C25 | C26 | 53.6° | 60.0° |
| C15 | C14 | C13 | H9 | 172.3° | 60.0° |
| C15 | C14 | C13 | H10 | 68.0° | 180.0° |
| C15 | C14 | H11 | H12 | 118.6° | 120.0° |
| C14 | C15 | C25 | H17 | 174.0° | 179.9° |
| C14 | C15 | C25 | H18 | 66.7° | 60.0° |
| C14 | C15 | N16 | H45 | 78.8° | 25.0° |
| C19 | N18 | C17 | N16 | 178.8° | 179.7° |
| N18 | C19 | C20 | H14 | 180.0° | 179.7° |
| C19 | N18 | C17 | C24 | 5.8° | 0.0° |
| N18 | C19 | C20 | C21 | 177.4° | 179.7° |
| N18 | C19 | C20 | C23 | 1.3° | 0.2° |
| N18 | C17 | N16 | C15 | 148.1° | 179.7° |
| N18 | C17 | N16 | C24 | 173.0° | 179.7° |
| C17 | N18 | C19 | C20 | 2.5° | 0.0° |
| N18 | C17 | C24 | C23 | 5.2° | 0.2° |
| C17 | N18 | C19 | H14 | 177.5° | 179.7° |
| N18 | C17 | C24 | H16 | 174.8° | 179.7° |
| N18 | C17 | N16 | H45 | 25.2° | 0.3° |
| C15 | N16 | C17 | H45 | 122.9° | 180.0° |
| N16 | C15 | C25 | H13 | 117.7° | 120.0° |
| C15 | N16 | C17 | C24 | 38.9° | 0.0° |
| N16 | C15 | C25 | C26 | 179.7° | 180.0° |
| N16 | C15 | C14 | H11 | 61.0° | 60.0° |
| N16 | C15 | C14 | H12 | 58.1° | 60.0° |
| N16 | C15 | C25 | H17 | 59.3° | 59.9° |
| N16 | C15 | C25 | H18 | 59.9° | 60.0° |
| C17 | N16 | C15 | C25 | 31.2° | 85.0° |
| N16 | C17 | C24 | C23 | 177.8° | 180.0° |
| C17 | N16 | C15 | H13 | 86.0° | 35.0° |
| N16 | C17 | C24 | H16 | 2.1° | 0.1° |
| C13 | C12 | N11 | C26 | 130.3° | 120.0° |
| C13 | C12 | N11 | H8 | 115.2° | 120.1° |
| C13 | C12 | C26 | H8 | 113.3° | 120.1° |
| C13 | C12 | C26 | C25 | 60.0° | 60.0° |
| C13 | C12 | N11 | C02 | 57.1° | 64.5° |
| C13 | C12 | N11 | C27 | 118.9° | 115.5° |
| C12 | C13 | H9 | H10 | 119.4° | 120.0° |
| C12 | C13 | C14 | H11 | 172.6° | 180.0° |
| C12 | C13 | C14 | H12 | 68.3° | 59.9° |
| C13 | C12 | C26 | H19 | 179.9° | 180.0° |
| C13 | C12 | C26 | H20 | 59.9° | 59.9° |
| C06 | C07 | C08 | H4 | 180.0° | 179.9° |
| C07 | C06 | C05 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C07 | C06 | C05 | C04 | 179.4° | 180.0° |
| C07 | C06 | C05 | C10 | 0.6° | 0.3° |
| C06 | C07 | C08 | H5 | 179.8° | 179.9° |
| C08 | C07 | C06 | C05 | 0.2° | NaN° |
| C07 | C08 | C09 | H5 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.3° |
| C08 | C07 | C06 | H3 | 179.8° | 180.0° |
| C07 | C08 | C09 | H6 | 179.9° | 179.9° |
| C19 | C20 | C21 | C23 | 175.9° | 179.9° |
| C19 | C20 | C23 | C24 | 1.9° | 0.5° |
| C19 | C20 | C21 | N22 | 104.9° | 33.1° |
| C19 | C20 | C23 | H15 | 178.1° | 180.0° |
| C15 | C25 | C26 | C12 | 57.8° | 59.9° |
| C15 | C25 | C26 | H17 | 120.4° | 120.1° |
| C15 | C25 | C26 | H18 | 120.4° | 120.0° |
| C25 | C15 | C14 | H11 | 170.9° | 180.0° |
| C25 | C15 | C14 | H12 | 70.0° | 60.0° |
| C15 | C25 | H17 | H18 | 118.9° | 120.0° |
| C15 | C25 | C26 | H19 | 177.7° | 180.0° |
| C15 | C25 | C26 | H20 | 62.1° | 60.0° |
| C25 | C15 | N16 | H45 | 154.2° | 95.0° |
| C17 | C24 | C23 | C20 | 1.2° | 0.5° |
| C17 | C24 | C23 | H16 | 180.0° | 179.9° |
| C17 | C24 | C23 | H15 | 178.8° | 180.0° |
| C24 | C17 | N16 | H45 | 161.8° | 180.0° |
| N41 | C40 | C46 | C30 | 169.7° | 179.9° |
| N41 | C40 | C46 | C27 | 174.7° | 180.0° |
| N41 | C40 | C30 | N31 | 12.6° | 0.1° |
| N41 | C40 | C30 | C29 | 178.7° | 180.0° |
| N41 | C40 | C46 | H43 | 5.3° | 0.0° |
| C06 | C05 | C04 | C10 | 178.8° | 179.6° |
| C06 | C05 | C10 | C09 | 0.7° | 0.6° |
| C06 | C05 | C04 | N03 | 104.0° | 84.7° |
| C06 | C05 | C04 | H1 | 14.4° | 35.3° |
| C06 | C05 | C04 | H2 | 137.5° | 155.3° |
| C05 | C06 | C07 | H4 | 179.9° | 179.9° |
| C06 | C05 | C10 | H7 | 179.3° | 179.7° |
| C08 | C09 | C10 | C05 | 0.4° | 0.6° |
| C08 | C09 | C10 | H6 | 180.0° | 179.7° |
| C09 | C08 | C07 | H4 | 179.8° | 180.0° |
| C08 | C09 | C10 | H7 | 179.7° | 179.8° |
| C40 | C46 | C27 | H43 | 180.0° | 180.0° |
| C40 | C46 | C27 | N11 | 174.5° | 179.7° |
| C40 | C46 | C27 | C28 | 4.6° | 0.1° |
| C46 | C40 | C30 | N31 | 178.0° | 180.0° |
| C46 | C40 | C30 | C29 | 11.9° | 0.1° |
| C46 | C40 | N41 | H47 | 145.2° | 154.4° |
| C46 | C27 | N11 | C12 | 93.6° | 123.6° |
| C27 | C46 | C40 | C30 | 5.0° | 0.1° |
| C46 | C27 | N11 | C02 | 81.8° | 56.4° |
| C46 | C27 | N11 | C28 | 170.0° | 179.7° |
| C46 | C27 | C28 | C29 | 6.9° | 0.1° |
| C46 | C27 | C28 | H21 | 173.1° | 180.0° |
| N11 | C12 | C26 | H8 | 114.7° | 120.0° |
| C12 | N11 | C02 | O01 | 0.3° | 5.6° |
| N11 | C12 | C26 | C25 | 168.0° | 179.9° |
| C12 | N11 | C02 | C27 | 175.2° | 180.0° |
| C12 | N11 | C02 | N03 | 167.4° | 174.2° |
| C12 | N11 | C27 | C28 | 76.4° | 56.0° |
| N11 | C12 | C13 | H9 | 51.0° | 60.0° |
| N11 | C12 | C13 | H10 | 68.6° | 60.0° |
| N11 | C12 | C26 | H19 | 48.1° | 60.0° |
| N11 | C12 | C26 | H20 | 72.0° | 60.0° |
| C12 | C26 | C25 | H19 | 119.9° | 120.0° |
| C12 | C26 | C25 | H20 | 119.9° | 119.9° |
| C26 | C12 | N11 | C02 | 73.2° | 55.5° |
| C26 | C12 | N11 | C27 | 110.8° | 124.5° |
| C26 | C12 | C13 | H9 | 177.8° | 60.0° |
| C26 | C12 | C13 | H10 | 62.6° | 180.0° |
| C12 | C26 | C25 | H17 | 178.1° | 180.0° |
| C12 | C26 | C25 | H18 | 62.6° | 60.1° |
| C12 | C26 | H19 | H20 | 120.3° | 120.0° |
| O01 | C02 | N11 | N03 | 167.0° | 179.7° |
| O01 | C02 | N11 | C27 | 175.6° | 174.5° |
| O01 | C02 | N03 | C04 | 150.8° | 4.6° |
| O01 | C02 | N03 | H44 | 29.2° | 175.4° |
| C21 | C20 | C23 | C24 | 178.0° | 179.4° |
| C21 | C20 | C19 | H14 | 2.6° | 0.0° |
| C21 | C20 | C23 | H15 | 2.0° | 0.0° |
| C20 | C23 | C24 | H15 | 180.0° | 179.4° |
| C23 | C20 | C21 | N22 | 71.1° | 146.9° |
| C23 | C20 | C19 | H14 | 178.7° | 180.0° |
| C20 | C23 | C24 | H16 | 178.8° | 179.4° |
| C40 | C30 | N31 | C32 | 40.7° | 120.1° |
| C40 | C30 | N31 | C29 | 165.8° | 179.9° |
| C40 | C30 | N31 | C39 | 129.1° | 115.7° |
| C40 | C30 | C29 | C28 | 9.4° | 0.1° |
| C40 | C30 | C29 | H22 | 170.6° | 180.0° |
| C30 | C40 | C46 | H43 | 175.0° | 180.0° |
| C30 | C40 | N41 | H47 | 24.8° | 25.6° |
| C25 | C26 | C12 | H8 | 53.3° | 60.1° |
| C26 | C25 | C15 | H13 | 62.1° | 60.1° |
| C26 | C25 | H17 | H18 | 118.9° | 119.9° |
| C25 | C26 | H19 | H20 | 120.3° | 120.0° |
| C02 | N11 | C27 | C28 | 108.2° | 123.9° |
| N11 | C02 | N03 | C04 | 42.0° | 175.1° |
| C02 | N11 | C12 | H8 | 172.2° | 175.4° |
| N11 | C02 | N03 | H44 | 138.0° | 4.9° |
| N03 | C02 | N11 | C27 | 17.4° | 5.8° |
| C02 | N03 | C04 | C05 | 127.5° | 175.0° |
| C02 | N03 | C04 | H44 | 180.0° | 180.0° |
| C02 | N03 | C04 | H1 | 9.1° | 55.0° |
| C02 | N03 | C04 | H2 | 114.0° | 65.0° |
| N11 | C27 | C28 | C29 | 177.1° | 179.7° |
| C27 | N11 | C12 | H8 | 3.8° | 4.5° |
| N11 | C27 | C28 | H21 | 2.9° | 0.3° |
| N11 | C27 | C46 | H43 | 5.5° | 0.3° |
| C04 | C05 | C10 | C09 | 179.5° | 179.7° |
| C05 | C04 | N03 | H1 | 118.5° | 120.0° |
| C05 | C04 | N03 | H2 | 118.5° | 120.0° |
| C05 | C04 | H1 | H2 | 124.4° | 119.9° |
| C04 | C05 | C06 | H3 | 0.6° | 0.1° |
| C04 | C05 | C10 | H7 | 0.5° | 0.1° |
| C05 | C04 | N03 | H44 | 52.5° | 5.0° |
| C05 | C10 | C09 | H7 | 180.0° | 179.7° |
| C10 | C05 | C04 | N03 | 74.8° | 94.9° |
| C10 | C05 | C04 | H1 | 166.8° | 145.0° |
| C10 | C05 | C04 | H2 | 43.7° | 25.1° |
| C10 | C05 | C06 | H3 | 179.4° | 179.7° |
| C05 | C10 | C09 | H6 | 179.6° | 179.7° |
| C27 | C28 | C29 | C30 | 0.4° | 0.1° |
| C27 | C28 | C29 | H21 | 180.0° | 179.9° |
| C27 | C28 | C29 | H22 | 179.6° | 180.0° |
| C28 | C27 | C46 | H43 | 175.5° | 180.0° |
| C10 | C09 | C08 | H5 | 179.9° | 179.8° |
| N03 | C04 | H1 | H2 | 124.4° | 120.0° |
| N31 | C32 | C33 | H23 | 120.6° | 119.9° |
| N31 | C32 | C33 | H24 | 120.6° | 120.1° |
| C32 | N31 | C30 | C39 | 169.8° | 124.2° |
| C32 | N31 | C30 | C29 | 153.4° | 60.0° |
| N31 | C32 | C33 | C34 | 49.4° | 59.2° |
| C32 | N31 | C39 | C38 | 11.8° | 61.7° |
| N31 | C32 | H23 | H24 | 118.1° | 120.0° |
| N31 | C32 | C33 | H25 | 169.5° | 179.1° |
| N31 | C32 | C33 | H26 | 70.7° | 60.8° |
| C32 | N31 | C39 | H36 | 132.6° | 58.3° |
| C32 | N31 | C39 | H37 | 109.0° | 178.2° |
| C33 | C32 | N31 | C30 | 167.3° | 174.1° |
| C33 | C32 | N31 | C39 | 23.9° | 61.8° |
| C32 | C33 | C34 | H25 | 120.1° | 119.9° |
| C32 | C33 | C34 | H26 | 120.1° | 120.0° |
| C32 | C33 | C34 | N35 | 175.5° | 177.6° |
| C32 | C33 | C34 | C38 | 63.3° | 57.7° |
| C33 | C32 | H23 | H24 | 118.1° | 120.0° |
| C32 | C33 | H25 | H26 | 119.6° | 120.1° |
| C32 | C33 | C34 | H27 | 54.5° | 62.3° |
| N31 | C30 | C29 | C28 | 176.4° | 180.0° |
| C30 | N31 | C39 | C38 | 178.5° | 174.2° |
| N31 | C30 | C29 | H22 | 3.7° | 0.1° |
| C30 | N31 | C32 | H23 | 72.1° | 54.2° |
| C30 | N31 | C32 | H24 | 46.6° | 65.8° |
| C30 | N31 | C39 | H36 | 57.7° | 65.8° |
| C30 | N31 | C39 | H37 | 60.6° | 54.1° |
| C29 | C30 | N31 | C39 | 36.8° | 64.2° |
| C30 | C29 | C28 | H22 | 180.0° | 179.9° |
| C30 | C29 | C28 | H21 | 179.6° | 180.0° |
| N31 | C39 | C38 | C34 | 26.4° | 59.1° |
| N31 | C39 | C38 | H36 | 120.8° | 119.9° |
| N31 | C39 | C38 | H37 | 120.8° | 120.0° |
| C39 | N31 | C32 | H23 | 96.7° | 178.3° |
| C39 | N31 | C32 | H24 | 144.5° | 58.3° |
| N31 | C39 | C38 | H34 | 147.3° | 179.1° |
| N31 | C39 | C38 | H35 | 94.6° | 60.8° |
| N31 | C39 | H36 | H37 | 117.5° | 120.0° |
| C33 | C34 | N35 | C38 | 120.7° | 119.7° |
| C33 | C34 | N35 | H27 | 120.7° | 120.1° |
| C33 | C34 | C38 | H27 | 117.8° | 119.9° |
| C33 | C34 | N35 | C37 | 161.9° | 56.0° |
| C33 | C34 | C38 | C39 | 52.3° | 57.7° |
| C33 | C34 | N35 | C36 | 36.7° | 180.0° |
| C34 | C33 | C32 | H23 | 71.1° | 179.2° |
| C34 | C33 | C32 | H24 | 170.1° | 60.8° |
| C34 | C33 | H25 | H26 | 119.6° | 120.2° |
| C33 | C34 | C38 | H34 | 173.3° | 177.6° |
| C33 | C34 | C38 | H35 | 68.7° | 62.3° |
| N35 | C34 | C38 | H27 | 118.9° | 120.2° |
| C34 | N35 | C37 | C36 | 127.0° | 124.0° |
| N35 | C34 | C38 | C39 | 175.6° | 177.6° |
| N35 | C34 | C33 | H25 | 55.4° | 62.5° |
| N35 | C34 | C33 | H26 | 64.4° | 57.6° |
| C34 | N35 | C36 | H28 | 180.0° | 60.0° |
| C34 | N35 | C36 | H29 | 60.0° | 180.0° |
| C34 | N35 | C36 | H30 | 60.0° | 60.0° |
| C34 | N35 | C37 | H31 | 180.0° | 60.0° |
| C34 | N35 | C37 | H32 | 60.0° | 180.0° |
| C34 | N35 | C37 | H33 | 60.0° | 60.0° |
| N35 | C34 | C38 | H34 | 63.5° | 62.5° |
| N35 | C34 | C38 | H35 | 54.6° | 57.6° |
| C38 | C34 | N35 | C37 | 77.4° | 175.7° |
| C34 | C38 | C39 | H34 | 121.0° | 120.0° |
| C34 | C38 | C39 | H35 | 121.0° | 120.0° |
| C38 | C34 | N35 | C36 | 157.4° | 60.3° |
| C38 | C34 | C33 | H25 | 176.6° | 177.6° |
| C38 | C34 | C33 | H26 | 56.8° | 62.3° |
| C34 | C38 | H34 | H35 | 117.0° | 120.1° |
| C34 | C38 | C39 | H36 | 147.2° | 60.8° |
| C34 | C38 | C39 | H37 | 94.4° | 179.2° |
| C37 | N35 | C34 | H27 | 41.2° | 64.1° |
| C37 | N35 | C36 | H28 | 53.2° | 63.9° |
| C37 | N35 | C36 | H29 | 66.8° | 56.0° |
| C37 | N35 | C36 | H30 | 173.2° | 176.0° |
| N35 | C37 | H31 | H32 | 120.0° | 120.0° |
| N35 | C37 | H31 | H33 | 120.0° | 120.0° |
| N35 | C37 | H32 | H33 | 119.9° | 119.9° |
| C39 | C38 | C34 | H27 | 65.5° | 62.3° |
| C39 | C38 | H34 | H35 | 117.0° | 120.0° |
| C38 | C39 | H36 | H37 | 117.5° | 120.0° |
| C36 | N35 | C34 | H27 | 84.0° | 59.9° |
| N35 | C36 | H28 | H29 | 120.0° | 119.9° |
| N35 | C36 | H28 | H30 | 120.0° | 120.0° |
| N35 | C36 | H29 | H30 | 120.0° | 120.0° |
| C36 | N35 | C37 | H31 | 53.0° | 176.1° |
| C36 | N35 | C37 | H32 | 173.0° | 56.0° |
| C36 | N35 | C37 | H33 | 67.1° | 63.9° |
| H1 | C04 | N03 | H44 | 170.9° | 125.0° |
| H2 | C04 | N03 | H44 | 66.0° | 115.0° |
| H3 | C06 | C07 | H4 | 0.1° | 0.0° |
| H4 | C07 | C08 | H5 | 0.2° | 0.0° |
| H5 | C08 | C09 | H6 | 0.1° | 0.1° |
| H6 | C09 | C10 | H7 | 0.3° | 0.1° |
| H8 | C12 | C13 | H9 | 64.4° | 180.0° |
| H8 | C12 | C13 | H10 | 175.9° | 60.0° |
| H8 | C12 | C26 | H19 | 66.6° | 60.0° |
| H8 | C12 | C26 | H20 | 173.2° | 180.0° |
| H9 | C13 | C14 | H11 | 67.3° | 60.0° |
| H9 | C13 | C14 | H12 | 51.9° | 180.0° |
| H10 | C13 | C14 | H11 | 52.4° | 60.0° |
| H10 | C13 | C14 | H12 | 171.5° | 60.0° |
| H11 | C14 | C15 | H13 | 55.3° | 60.0° |
| H12 | C14 | C15 | H13 | 174.4° | 180.0° |
| H13 | C15 | C25 | H17 | 58.3° | 60.0° |
| H13 | C15 | C25 | H18 | 177.6° | 180.0° |
| H13 | C15 | N16 | H45 | 37.0° | 145.0° |
| H15 | C23 | C24 | H16 | 1.2° | 0.0° |
| H17 | C25 | C26 | H19 | 62.0° | 59.9° |
| H17 | C25 | C26 | H20 | 58.2° | 60.1° |
| H18 | C25 | C26 | H19 | 57.3° | 60.0° |
| H18 | C25 | C26 | H20 | 177.5° | 180.0° |
| H21 | C28 | C29 | H22 | 0.4° | 0.0° |
| H23 | C32 | C33 | H25 | 49.0° | 60.9° |
| H23 | C32 | C33 | H26 | 168.7° | 59.1° |
| H24 | C32 | C33 | H25 | 69.8° | 59.1° |
| H24 | C32 | C33 | H26 | 49.9° | 179.1° |
| H25 | C33 | C34 | H27 | 65.6° | 57.6° |
| H26 | C33 | C34 | H27 | 174.6° | 177.7° |
| H27 | C34 | C38 | H34 | 55.5° | 57.7° |
| H27 | C34 | C38 | H35 | 173.5° | 177.7° |
| H28 | C36 | H29 | H30 | 120.0° | 120.1° |
| H31 | C37 | H32 | H33 | 120.0° | 120.0° |
| H34 | C38 | C39 | H36 | 91.8° | 59.2° |
| H34 | C38 | C39 | H37 | 26.5° | 60.8° |
| H35 | C38 | C39 | H36 | 26.2° | 179.2° |
| H35 | C38 | C39 | H37 | 144.6° | 59.2° |
| H38 | C43 | C44 | H40 | 59.1° | 175.0° |
| H38 | C43 | C44 | H41 | 60.9° | 55.0° |
| H38 | C43 | C44 | H42 | 179.1° | 65.0° |
| H39 | C43 | C44 | H40 | 59.1° | 64.9° |
| H39 | C43 | C44 | H41 | 179.1° | 175.1° |
| H39 | C43 | C44 | H42 | 60.9° | 55.1° |
| H40 | C44 | H41 | H42 | 120.0° | 120.0° |
