E4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C78 | C76 | sing | 1.53Å | 1.50Å | |
| C76 | C82 | sing | 1.53Å | 1.52Å | |
| C76 | C69 | sing | 1.51Å | 1.53Å | |
| C70 | C69 | doub | 1.38Å | 1.38Å | Aromatic |
| C70 | C72 | sing | 1.38Å | 1.38Å | Aromatic |
| C69 | C67 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | C74 | doub | 1.38Å | 1.38Å | Aromatic |
| C67 | C66 | doub | 1.38Å | 1.39Å | Aromatic |
| C74 | C66 | sing | 1.38Å | 1.39Å | Aromatic |
| C66 | C59 | sing | 1.51Å | 1.53Å | |
| C60 | C59 | sing | 1.53Å | 1.54Å | |
| C60 | C63 | sing | 1.53Å | 1.50Å | |
| C59 | C63 | sing | 1.53Å | 1.56Å | |
| C59 | N57 | sing | 1.47Å | 1.47Å | |
| N57 | C54 | sing | 1.47Å | 1.47Å | |
| O52 | C50 | sing | 1.43Å | 1.43Å | |
| C54 | C50 | sing | 1.53Å | 1.53Å | |
| O49 | C48 | doub | 1.22Å | 1.23Å | |
| C50 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.48Å | 1.46Å | |
| O43 | C42 | doub | 1.21Å | 1.22Å | |
| C48 | N1 | sing | 1.36Å | 1.35Å | |
| C48 | C36 | sing | 1.48Å | 1.50Å | |
| C16 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.50Å | |
| C37 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C39 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | C39 | sing | 1.47Å | 1.49Å | |
| C42 | C44 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O18 | sing | 1.36Å | 1.39Å | |
| C33 | N31 | sing | 1.42Å | 1.38Å | |
| O18 | C19 | sing | 1.43Å | 1.42Å | |
| N31 | C28 | sing | 1.48Å | 1.43Å | |
| C19 | C22 | sing | 1.53Å | 1.48Å | |
| C28 | C25 | sing | 1.53Å | 1.49Å | |
| C25 | C22 | sing | 1.53Å | 1.50Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C40 | H17 | sing | 1.08Å | 1.08Å | |
| C44 | H18 | sing | 1.09Å | 1.10Å | |
| C44 | H19 | sing | 1.09Å | 1.10Å | |
| C44 | H20 | sing | 1.09Å | 1.10Å | |
| C50 | H21 | sing | 1.09Å | 1.10Å | |
| C54 | H22 | sing | 1.09Å | 1.10Å | |
| C54 | H23 | sing | 1.09Å | 1.10Å | |
| C60 | H24 | sing | 1.09Å | 1.10Å | |
| C60 | H25 | sing | 1.09Å | 1.10Å | |
| C63 | H26 | sing | 1.09Å | 1.10Å | |
| C63 | H27 | sing | 1.09Å | 1.10Å | |
| C67 | H28 | sing | 1.08Å | 1.08Å | |
| C70 | H29 | sing | 1.08Å | 1.08Å | |
| C72 | H30 | sing | 1.08Å | 1.08Å | |
| C74 | H31 | sing | 1.08Å | 1.08Å | |
| C76 | H32 | sing | 1.09Å | 1.10Å | |
| C78 | H33 | sing | 1.09Å | 1.10Å | |
| C78 | H34 | sing | 1.09Å | 1.10Å | |
| C78 | H35 | sing | 1.09Å | 1.10Å | |
| C82 | H36 | sing | 1.09Å | 1.10Å | |
| C82 | H37 | sing | 1.09Å | 1.10Å | |
| C82 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.08Å | 1.08Å | |
| N1 | H40 | sing | 0.97Å | 1.00Å | |
| N31 | H41 | sing | 0.97Å | 1.00Å | |
| N57 | H42 | sing | 1.01Å | 1.00Å | |
| O52 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C78 | C76 | C82 | 110.7° | 109.5° |
| C78 | C76 | C69 | 111.3° | 109.5° |
| C78 | C76 | H32 | 107.1° | 109.4° |
| C76 | C78 | H33 | 109.5° | 109.5° |
| C76 | C78 | H34 | 109.5° | 109.5° |
| C76 | C78 | H35 | 109.5° | 109.4° |
| C82 | C76 | C69 | 113.8° | 109.5° |
| C82 | C76 | H32 | 106.8° | 109.5° |
| C76 | C82 | H36 | 109.5° | 109.4° |
| C76 | C82 | H37 | 109.5° | 109.5° |
| C76 | C82 | H38 | 109.5° | 109.5° |
| C76 | C69 | C70 | 118.8° | 120.0° |
| C76 | C69 | C67 | 122.3° | 120.0° |
| C69 | C76 | H32 | 106.8° | 109.5° |
| C69 | C70 | C72 | 120.9° | 120.0° |
| C70 | C69 | C67 | 118.9° | 120.0° |
| C69 | C70 | H29 | 119.6° | 120.0° |
| C70 | C72 | C74 | 120.1° | 120.0° |
| C72 | C70 | H29 | 119.6° | 120.0° |
| C70 | C72 | H30 | 120.0° | 120.0° |
| C69 | C67 | C66 | 120.5° | 120.0° |
| C69 | C67 | H28 | 119.7° | 120.0° |
| C72 | C74 | C66 | 120.1° | 120.0° |
| C74 | C72 | H30 | 120.0° | 120.0° |
| C72 | C74 | H31 | 119.9° | 120.0° |
| C67 | C66 | C74 | 119.5° | 120.0° |
| C67 | C66 | C59 | 118.9° | 120.0° |
| C66 | C67 | H28 | 119.7° | 120.0° |
| C74 | C66 | C59 | 121.6° | 120.0° |
| C66 | C74 | H31 | 119.9° | 120.0° |
| C66 | C59 | C60 | 107.5° | 117.5° |
| C66 | C59 | C63 | 131.2° | 117.5° |
| C66 | C59 | N57 | 113.8° | 115.6° |
| C59 | C60 | C63 | 61.7° | 60.0° |
| C60 | C59 | C63 | 58.1° | 60.0° |
| C60 | C59 | N57 | 118.6° | 117.5° |
| C59 | C60 | H24 | 119.7° | 117.5° |
| C59 | C60 | H25 | 119.7° | 117.5° |
| C60 | C63 | C59 | 60.3° | 60.0° |
| C63 | C60 | H24 | 119.7° | 117.5° |
| C63 | C60 | H25 | 119.7° | 117.5° |
| C60 | C63 | H26 | 119.9° | 117.5° |
| C60 | C63 | H27 | 119.9° | 117.5° |
| C63 | C59 | N57 | 113.3° | 117.5° |
| C59 | C63 | H26 | 119.9° | 117.5° |
| C59 | C63 | H27 | 119.9° | 117.5° |
| C59 | N57 | C54 | 114.5° | 111.0° |
| C59 | N57 | H42 | 108.2° | 111.0° |
| N57 | C54 | C50 | 109.4° | 109.4° |
| N57 | C54 | H22 | 109.5° | 109.5° |
| N57 | C54 | H23 | 109.5° | 109.5° |
| C54 | N57 | H42 | 108.2° | 111.0° |
| O52 | C50 | C54 | 109.7° | 109.4° |
| O52 | C50 | C3 | 110.2° | 109.5° |
| O52 | C50 | H21 | 109.3° | 109.5° |
| C50 | O52 | H44 | 109.5° | 114.0° |
| C54 | C50 | C3 | 111.7° | 109.5° |
| C54 | C50 | H21 | 108.0° | 109.5° |
| C50 | C54 | H22 | 109.5° | 109.4° |
| C50 | C54 | H23 | 109.5° | 109.4° |
| O49 | C48 | N1 | 121.6° | 120.1° |
| O49 | C48 | C36 | 120.6° | 120.2° |
| C50 | C3 | C5 | 109.3° | 109.4° |
| C50 | C3 | N1 | 111.1° | 109.4° |
| C50 | C3 | H1 | 108.4° | 109.6° |
| C3 | C50 | H21 | 108.0° | 109.5° |
| C5 | C3 | N1 | 110.0° | 109.4° |
| C3 | C5 | C8 | 113.5° | 109.3° |
| C5 | C3 | H1 | 108.5° | 109.5° |
| C3 | C5 | H2 | 108.5° | 109.5° |
| C3 | C5 | H3 | 108.4° | 109.5° |
| C3 | N1 | C48 | 122.2° | 115.8° |
| N1 | C3 | H1 | 109.4° | 109.5° |
| C3 | N1 | H40 | 118.9° | 122.2° |
| O43 | C42 | C39 | 120.3° | 120.0° |
| O43 | C42 | C44 | 120.3° | 120.0° |
| N1 | C48 | C36 | 117.8° | 119.7° |
| C48 | N1 | H40 | 118.9° | 122.0° |
| C48 | C36 | C37 | 119.1° | 119.6° |
| C48 | C36 | C34 | 121.4° | 120.7° |
| C14 | C16 | C8 | 120.6° | 120.1° |
| C16 | C14 | C12 | 120.6° | 120.1° |
| C16 | C14 | H5 | 119.7° | 120.0° |
| C14 | C16 | H6 | 119.7° | 120.0° |
| C16 | C8 | C5 | 121.0° | 120.2° |
| C16 | C8 | C9 | 118.9° | 120.2° |
| C8 | C16 | H6 | 119.7° | 119.9° |
| C5 | C8 | C9 | 120.1° | 119.6° |
| C8 | C5 | H2 | 108.4° | 109.5° |
| C8 | C5 | H3 | 108.5° | 109.5° |
| C36 | C37 | C39 | 120.1° | 120.0° |
| C37 | C36 | C34 | 119.4° | 119.7° |
| C36 | C37 | H16 | 120.0° | 120.0° |
| C37 | C39 | C42 | 120.8° | 120.0° |
| C37 | C39 | C40 | 119.8° | 119.9° |
| C39 | C37 | H16 | 119.9° | 120.0° |
| C14 | C12 | C11 | 119.0° | 119.9° |
| C14 | C12 | H4 | 120.5° | 120.1° |
| C12 | C14 | H5 | 119.7° | 119.9° |
| C39 | C42 | C44 | 119.3° | 120.0° |
| C42 | C39 | C40 | 119.4° | 120.1° |
| C42 | C44 | H18 | 109.5° | 109.5° |
| C42 | C44 | H19 | 109.5° | 109.5° |
| C42 | C44 | H20 | 109.5° | 109.5° |
| C8 | C9 | C11 | 120.2° | 119.8° |
| C8 | C9 | H39 | 119.9° | 120.0° |
| C36 | C34 | C33 | 120.6° | 120.0° |
| C36 | C34 | H15 | 119.7° | 120.0° |
| C39 | C40 | C33 | 120.4° | 119.7° |
| C39 | C40 | H17 | 119.8° | 120.1° |
| C12 | C11 | C9 | 120.6° | 120.0° |
| C12 | C11 | O18 | 121.0° | 119.9° |
| C11 | C12 | H4 | 120.5° | 120.0° |
| C9 | C11 | O18 | 118.4° | 120.1° |
| C11 | C9 | H39 | 119.9° | 120.2° |
| C34 | C33 | C40 | 119.6° | 120.6° |
| C34 | C33 | N31 | 120.7° | 120.7° |
| C33 | C34 | H15 | 119.7° | 120.0° |
| C40 | C33 | N31 | 119.7° | 118.7° |
| C33 | C40 | H17 | 119.8° | 120.2° |
| C11 | O18 | C19 | 118.3° | 116.5° |
| C33 | N31 | C28 | 123.4° | 115.3° |
| C33 | N31 | H41 | 105.9° | 122.3° |
| O18 | C19 | C22 | 106.3° | 109.5° |
| O18 | C19 | H7 | 110.3° | 109.5° |
| O18 | C19 | H8 | 110.2° | 109.5° |
| N31 | C28 | C25 | 111.6° | 109.1° |
| N31 | C28 | H13 | 108.9° | 109.5° |
| N31 | C28 | H14 | 108.9° | 109.6° |
| C28 | N31 | H41 | 105.9° | 122.4° |
| C19 | C22 | C25 | 109.2° | 109.2° |
| C22 | C19 | H7 | 110.2° | 109.5° |
| C22 | C19 | H8 | 110.3° | 109.5° |
| C19 | C22 | H9 | 109.5° | 109.5° |
| C19 | C22 | H10 | 109.5° | 109.5° |
| C28 | C25 | C22 | 110.7° | 109.4° |
| C28 | C25 | H11 | 109.2° | 109.5° |
| C28 | C25 | H12 | 109.2° | 109.4° |
| C25 | C28 | H13 | 108.9° | 109.5° |
| C25 | C28 | H14 | 108.9° | 109.5° |
| C25 | C22 | H9 | 109.6° | 109.6° |
| C25 | C22 | H10 | 109.5° | 109.6° |
| C22 | C25 | H11 | 109.1° | 109.5° |
| C22 | C25 | H12 | 109.2° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.4° | 109.5° |
| H13 | C28 | H14 | 109.4° | 109.6° |
| H18 | C44 | H19 | 109.5° | 109.4° |
| H18 | C44 | H20 | 109.4° | 109.5° |
| H19 | C44 | H20 | 109.5° | 109.5° |
| H22 | C54 | H23 | 109.5° | 109.5° |
| H24 | C60 | H25 | 109.4° | 115.6° |
| H26 | C63 | H27 | 109.5° | 115.6° |
| H33 | C78 | H34 | 109.5° | 109.5° |
| H33 | C78 | H35 | 109.5° | 109.5° |
| H34 | C78 | H35 | 109.4° | 109.5° |
| H36 | C82 | H37 | 109.5° | 109.5° |
| H36 | C82 | H38 | 109.5° | 109.5° |
| H37 | C82 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C78 | C76 | C82 | C69 | 126.1° | 120.0° |
| C78 | C76 | C82 | H32 | 116.3° | 120.0° |
| C78 | C76 | C69 | H32 | 116.6° | 120.0° |
| C78 | C76 | C69 | C70 | 64.2° | 57.3° |
| C78 | C76 | C69 | C67 | 116.2° | 122.6° |
| C76 | C78 | H33 | H34 | 120.0° | 120.0° |
| C76 | C78 | H33 | H35 | 120.0° | 120.0° |
| C76 | C78 | H34 | H35 | 120.0° | 119.9° |
| C78 | C76 | C82 | H36 | 180.0° | 63.4° |
| C78 | C76 | C82 | H37 | 60.0° | 176.6° |
| C78 | C76 | C82 | H38 | 60.0° | 56.6° |
| C82 | C76 | C69 | H32 | 117.6° | 120.0° |
| C82 | C76 | C69 | C70 | 170.0° | 62.7° |
| C82 | C76 | C69 | C67 | 9.6° | 117.4° |
| C82 | C76 | C78 | H33 | 180.0° | 65.3° |
| C82 | C76 | C78 | H34 | 60.0° | 174.7° |
| C82 | C76 | C78 | H35 | 60.0° | 54.7° |
| C76 | C82 | H36 | H37 | 120.0° | 120.0° |
| C76 | C82 | H36 | H38 | 120.0° | 120.0° |
| C76 | C82 | H37 | H38 | 120.0° | 120.0° |
| C76 | C69 | C70 | C67 | 179.6° | 180.0° |
| C76 | C69 | C70 | C72 | 179.2° | 180.0° |
| C76 | C69 | C67 | C66 | 178.9° | 180.0° |
| C76 | C69 | C67 | H28 | 1.1° | 0.0° |
| C76 | C69 | C70 | H29 | 0.8° | 0.0° |
| C69 | C76 | C78 | H33 | 52.5° | 174.7° |
| C69 | C76 | C78 | H34 | 67.5° | 54.7° |
| C69 | C76 | C78 | H35 | 172.5° | 65.3° |
| C69 | C76 | C82 | H36 | 53.8° | 56.6° |
| C69 | C76 | C82 | H37 | 173.9° | 63.4° |
| C69 | C76 | C82 | H38 | 66.2° | 176.6° |
| C69 | C70 | C72 | H29 | 180.0° | 180.0° |
| C69 | C70 | C72 | C74 | 0.3° | 0.2° |
| C70 | C69 | C67 | C66 | 0.7° | 0.1° |
| C70 | C69 | C67 | H28 | 179.3° | 180.0° |
| C69 | C70 | C72 | H30 | 179.7° | 180.0° |
| C70 | C69 | C76 | H32 | 52.4° | 177.3° |
| C72 | C70 | C69 | C67 | 0.4° | 0.0° |
| C70 | C72 | C74 | H30 | 180.0° | 179.8° |
| C70 | C72 | C74 | C66 | 0.4° | 0.5° |
| C70 | C72 | C74 | H31 | 179.6° | 180.0° |
| C69 | C67 | C66 | H28 | 180.0° | 179.9° |
| C69 | C67 | C66 | C74 | 0.8° | 0.3° |
| C69 | C67 | C66 | C59 | 179.9° | 180.0° |
| C67 | C69 | C70 | H29 | 179.6° | 180.0° |
| C67 | C69 | C76 | H32 | 127.3° | 2.7° |
| C72 | C74 | C66 | C67 | 0.7° | 0.5° |
| C72 | C74 | C66 | H31 | 180.0° | 179.5° |
| C72 | C74 | C66 | C59 | 179.7° | 179.7° |
| C74 | C72 | C70 | H29 | 179.7° | 179.8° |
| C67 | C66 | C74 | C59 | 179.0° | 179.7° |
| C67 | C66 | C59 | C60 | 72.0° | 148.6° |
| C67 | C66 | C59 | C63 | 134.6° | 142.8° |
| C67 | C66 | C59 | N57 | 61.5° | 2.9° |
| C67 | C66 | C74 | H31 | 179.3° | 179.9° |
| C74 | C66 | C59 | C60 | 109.0° | 31.1° |
| C74 | C66 | C59 | C63 | 46.3° | 37.5° |
| C74 | C66 | C59 | N57 | 117.5° | 176.8° |
| C74 | C66 | C67 | H28 | 179.2° | 179.7° |
| C66 | C74 | C72 | H30 | 179.6° | 179.7° |
| C66 | C59 | C60 | C63 | 128.1° | 107.5° |
| C66 | C59 | C60 | N57 | 130.9° | 145.1° |
| C66 | C59 | C63 | N57 | 163.9° | 145.0° |
| C66 | C59 | N57 | C54 | 80.9° | 87.7° |
| C66 | C59 | C60 | H24 | 18.1° | 0.0° |
| C66 | C59 | C60 | H25 | 122.0° | 145.0° |
| C66 | C59 | C63 | H26 | 23.7° | 145.0° |
| C66 | C59 | C63 | H27 | 164.6° | 0.0° |
| C59 | C66 | C67 | H28 | 0.1° | 0.0° |
| C59 | C66 | C74 | H31 | 0.3° | 0.2° |
| C66 | C59 | N57 | H42 | 158.4° | 148.4° |
| C59 | C60 | C63 | H24 | 109.9° | 107.4° |
| C59 | C60 | C63 | H25 | 109.9° | 107.5° |
| C60 | C59 | C63 | N57 | 110.3° | 107.5° |
| C60 | C59 | N57 | C54 | 151.1° | 126.6° |
| C59 | C60 | H24 | H25 | 143.8° | 145.6° |
| C59 | C60 | C63 | H26 | 109.5° | 107.5° |
| C59 | C60 | C63 | H27 | 109.5° | 107.5° |
| C60 | C59 | N57 | H42 | 30.3° | 2.7° |
| C63 | C60 | H24 | H25 | 143.8° | 145.7° |
| C60 | C63 | H26 | H27 | 144.6° | 145.7° |
| C63 | C59 | N57 | C54 | 85.9° | 58.0° |
| C59 | C63 | H26 | H27 | 144.6° | 145.7° |
| C63 | C59 | N57 | H42 | 34.8° | 65.9° |
| C59 | N57 | C54 | H42 | 120.7° | 123.9° |
| C59 | N57 | C54 | C50 | 154.9° | 175.2° |
| C59 | N57 | C54 | H22 | 34.9° | 64.8° |
| C59 | N57 | C54 | H23 | 85.1° | 55.3° |
| N57 | C59 | C60 | H24 | 149.1° | 145.0° |
| N57 | C59 | C60 | H25 | 8.9° | 0.0° |
| N57 | C59 | C63 | H26 | 140.2° | 0.0° |
| N57 | C59 | C63 | H27 | 0.7° | 145.0° |
| N57 | C54 | C50 | O52 | 35.6° | 60.7° |
| N57 | C54 | C50 | H22 | 120.0° | 120.0° |
| N57 | C54 | C50 | H23 | 120.0° | 120.0° |
| N57 | C54 | C50 | C3 | 158.1° | 179.3° |
| N57 | C54 | C50 | H21 | 83.4° | 59.3° |
| N57 | C54 | H22 | H23 | 120.0° | 120.1° |
| O52 | C50 | C54 | C3 | 122.4° | 120.0° |
| O52 | C50 | C54 | H21 | 119.0° | 120.0° |
| O52 | C50 | C3 | H21 | 119.2° | 120.0° |
| O52 | C50 | C3 | C5 | 59.9° | 56.5° |
| O52 | C50 | C3 | N1 | 178.5° | 176.3° |
| O52 | C50 | C3 | H1 | 58.2° | 63.6° |
| O52 | C50 | C54 | H22 | 84.4° | 179.3° |
| O52 | C50 | C54 | H23 | 155.6° | 59.3° |
| C54 | C50 | C3 | H21 | 118.6° | 120.0° |
| C54 | C50 | C3 | C5 | 178.0° | 176.4° |
| C54 | C50 | C3 | N1 | 56.3° | 63.7° |
| C54 | C50 | C3 | H1 | 63.9° | 56.4° |
| C50 | C54 | H22 | H23 | 120.0° | 119.9° |
| C50 | C54 | N57 | H42 | 84.4° | 60.8° |
| C54 | C50 | O52 | H44 | 180.0° | 60.0° |
| O49 | C48 | N1 | C3 | 0.3° | 10.5° |
| O49 | C48 | N1 | C36 | 179.8° | 180.0° |
| O49 | C48 | C36 | C37 | 17.8° | 1.4° |
| O49 | C48 | C36 | C34 | 161.1° | 179.2° |
| O49 | C48 | N1 | H40 | 179.8° | 169.5° |
| C50 | C3 | C5 | N1 | 122.3° | 119.9° |
| C50 | C3 | C5 | H1 | 118.1° | 120.1° |
| C50 | C3 | N1 | H1 | 119.7° | 120.1° |
| C50 | C3 | N1 | C48 | 109.8° | 108.1° |
| C50 | C3 | C5 | C8 | 162.4° | 37.8° |
| C50 | C3 | C5 | H2 | 41.8° | 82.2° |
| C50 | C3 | C5 | H3 | 77.0° | 157.7° |
| C3 | C50 | C54 | H22 | 38.1° | 59.3° |
| C3 | C50 | C54 | H23 | 81.9° | 60.6° |
| C50 | C3 | N1 | H40 | 70.2° | 72.0° |
| C3 | C50 | O52 | H44 | 56.7° | 60.0° |
| C5 | C3 | N1 | H1 | 119.1° | 120.0° |
| C5 | C3 | N1 | C48 | 129.0° | 132.0° |
| C3 | C5 | C8 | C16 | 82.1° | 116.3° |
| C3 | C5 | C8 | H2 | 120.6° | 120.0° |
| C3 | C5 | C8 | H3 | 120.6° | 120.0° |
| C3 | C5 | C8 | C9 | 98.0° | 63.8° |
| C3 | C5 | H2 | H3 | 118.2° | 120.1° |
| C5 | C3 | C50 | H21 | 59.4° | 63.5° |
| C5 | C3 | N1 | H40 | 51.0° | 47.9° |
| C3 | N1 | C48 | H40 | 180.0° | 179.9° |
| C3 | N1 | C48 | C36 | 179.6° | 169.5° |
| N1 | C3 | C5 | C8 | 40.0° | 82.1° |
| N1 | C3 | C5 | H2 | 80.5° | 157.9° |
| N1 | C3 | C5 | H3 | 160.6° | 37.8° |
| N1 | C3 | C50 | H21 | 62.3° | 56.3° |
| O43 | C42 | C39 | C37 | 45.4° | 180.0° |
| O43 | C42 | C39 | C44 | 178.9° | 179.9° |
| O43 | C42 | C39 | C40 | 135.5° | 0.1° |
| O43 | C42 | C44 | H18 | 0.0° | 90.0° |
| O43 | C42 | C44 | H19 | 120.0° | 30.0° |
| O43 | C42 | C44 | H20 | 120.0° | 150.0° |
| N1 | C48 | C36 | C37 | 162.0° | 178.6° |
| N1 | C48 | C36 | C34 | 19.0° | 0.7° |
| C48 | N1 | C3 | H1 | 9.9° | 12.0° |
| C48 | C36 | C37 | C34 | 179.0° | 177.9° |
| C48 | C36 | C37 | C39 | 179.3° | 175.9° |
| C48 | C36 | C34 | C33 | 179.4° | 175.5° |
| C48 | C36 | C34 | H15 | 0.6° | 4.4° |
| C48 | C36 | C37 | H16 | 0.7° | 4.2° |
| C36 | C48 | N1 | H40 | 0.4° | 10.6° |
| C14 | C16 | C8 | H6 | 180.0° | 179.9° |
| C14 | C16 | C8 | C5 | 179.9° | 179.7° |
| C16 | C14 | C12 | H5 | 180.0° | 179.9° |
| C14 | C16 | C8 | C9 | 0.0° | 0.3° |
| C16 | C14 | C12 | C11 | 0.1° | 0.4° |
| C16 | C14 | C12 | H4 | 179.9° | 179.7° |
| C16 | C8 | C5 | C9 | 179.9° | 180.0° |
| C8 | C16 | C14 | C12 | 0.3° | 0.1° |
| C16 | C8 | C9 | C11 | 0.4° | 0.4° |
| C16 | C8 | C5 | H2 | 157.3° | 3.7° |
| C16 | C8 | C5 | H3 | 38.5° | 123.8° |
| C8 | C16 | C14 | H5 | 179.7° | 180.0° |
| C16 | C8 | C9 | H39 | 179.6° | 179.7° |
| C5 | C8 | C9 | C11 | 179.6° | 179.7° |
| C8 | C5 | C3 | H1 | 79.6° | 157.9° |
| C8 | C5 | H2 | H3 | 118.2° | 120.0° |
| C5 | C8 | C16 | H6 | 0.1° | 0.2° |
| C5 | C8 | C9 | H39 | 0.4° | 0.3° |
| C36 | C37 | C39 | H16 | 180.0° | 180.0° |
| C36 | C37 | C39 | C42 | 179.1° | 179.7° |
| C36 | C37 | C39 | C40 | 0.0° | 0.4° |
| C37 | C36 | C34 | C33 | 0.5° | 2.3° |
| C37 | C36 | C34 | H15 | 179.6° | 177.7° |
| C37 | C39 | C42 | C40 | 179.1° | 179.9° |
| C37 | C39 | C42 | C44 | 133.5° | 0.1° |
| C39 | C37 | C36 | C34 | 0.4° | 2.0° |
| C37 | C39 | C40 | C33 | 0.2° | 1.0° |
| C37 | C39 | C40 | H17 | 179.8° | 179.0° |
| C14 | C12 | C11 | H4 | 180.0° | 179.9° |
| C14 | C12 | C11 | C9 | 0.4° | 0.4° |
| C14 | C12 | C11 | O18 | 178.7° | 179.8° |
| C12 | C14 | C16 | H6 | 179.7° | 179.9° |
| C42 | C39 | C40 | C33 | 179.3° | 179.0° |
| C42 | C39 | C37 | H16 | 0.9° | 0.3° |
| C42 | C39 | C40 | H17 | 0.7° | 1.1° |
| C39 | C42 | C44 | H18 | 178.9° | 90.0° |
| C39 | C42 | C44 | H19 | 58.9° | 150.0° |
| C39 | C42 | C44 | H20 | 61.1° | 30.0° |
| C44 | C42 | C39 | C40 | 45.6° | 180.0° |
| C42 | C44 | H18 | H19 | 120.0° | 120.0° |
| C42 | C44 | H18 | H20 | 120.0° | 120.0° |
| C42 | C44 | H19 | H20 | 120.0° | 120.0° |
| C8 | C9 | C11 | C12 | 0.6° | 0.0° |
| C8 | C9 | C11 | H39 | 180.0° | 179.9° |
| C8 | C9 | C11 | O18 | 179.0° | 179.8° |
| C9 | C8 | C5 | H2 | 22.6° | 176.2° |
| C9 | C8 | C5 | H3 | 141.4° | 56.2° |
| C9 | C8 | C16 | H6 | 179.9° | 179.7° |
| C36 | C34 | C33 | H15 | 180.0° | 180.0° |
| C36 | C34 | C33 | C40 | 0.2° | 1.0° |
| C36 | C34 | C33 | N31 | 178.4° | 179.9° |
| C34 | C36 | C37 | H16 | 179.7° | 177.9° |
| C39 | C40 | C33 | C34 | 0.1° | 0.7° |
| C39 | C40 | C33 | H17 | 180.0° | 180.0° |
| C39 | C40 | C33 | N31 | 178.8° | 178.3° |
| C40 | C39 | C37 | H16 | 180.0° | 179.6° |
| C12 | C11 | C9 | O18 | 178.3° | 179.8° |
| C12 | C11 | O18 | C19 | 68.6° | 128.2° |
| C11 | C12 | C14 | H5 | 179.9° | 179.7° |
| C12 | C11 | C9 | H39 | 179.3° | 180.0° |
| C9 | C11 | O18 | C19 | 113.1° | 51.6° |
| C9 | C11 | C12 | H4 | 179.6° | 179.7° |
| C34 | C33 | C40 | N31 | 178.7° | 179.0° |
| C34 | C33 | N31 | C28 | 68.7° | 18.5° |
| C34 | C33 | C40 | H17 | 179.9° | 179.3° |
| C34 | C33 | N31 | H41 | 169.4° | 161.5° |
| C40 | C33 | N31 | C28 | 112.6° | 160.5° |
| C40 | C33 | C34 | H15 | 179.8° | 179.0° |
| C40 | C33 | N31 | H41 | 9.3° | 19.5° |
| C11 | O18 | C19 | C22 | 145.7° | 120.2° |
| O18 | C11 | C12 | H4 | 1.3° | 0.1° |
| C11 | O18 | C19 | H7 | 94.8° | 119.8° |
| C11 | O18 | C19 | H8 | 26.2° | 0.2° |
| O18 | C11 | C9 | H39 | 1.0° | 0.1° |
| C33 | N31 | C28 | H41 | 121.9° | 179.9° |
| C33 | N31 | C28 | C25 | 104.9° | 71.8° |
| C33 | N31 | C28 | H13 | 15.4° | 168.3° |
| C33 | N31 | C28 | H14 | 134.7° | 48.1° |
| N31 | C33 | C34 | H15 | 1.5° | 0.1° |
| N31 | C33 | C40 | H17 | 1.3° | 1.7° |
| O18 | C19 | C22 | H7 | 119.5° | 120.0° |
| O18 | C19 | C22 | H8 | 119.5° | 120.1° |
| O18 | C19 | C22 | C25 | 101.3° | 151.3° |
| O18 | C19 | H7 | H8 | 121.5° | 120.0° |
| O18 | C19 | C22 | H9 | 18.7° | 88.7° |
| O18 | C19 | C22 | H10 | 138.8° | 31.4° |
| N31 | C28 | C25 | H13 | 120.3° | 119.9° |
| N31 | C28 | C25 | H14 | 120.3° | 120.0° |
| N31 | C28 | C25 | C22 | 160.8° | 179.1° |
| N31 | C28 | C25 | H11 | 79.0° | 59.1° |
| N31 | C28 | C25 | H12 | 40.6° | 61.0° |
| N31 | C28 | H13 | H14 | 119.0° | 120.2° |
| C19 | C22 | C25 | C28 | 64.6° | 169.1° |
| C19 | C22 | C25 | H9 | 119.9° | 119.9° |
| C19 | C22 | C25 | H10 | 119.9° | 119.9° |
| C22 | C19 | H7 | H8 | 121.5° | 120.0° |
| C19 | C22 | H9 | H10 | 120.1° | 120.1° |
| C19 | C22 | C25 | H11 | 175.2° | 49.1° |
| C19 | C22 | C25 | H12 | 55.6° | 71.0° |
| C28 | C25 | C22 | H11 | 120.2° | 119.9° |
| C28 | C25 | C22 | H12 | 120.2° | 119.9° |
| C28 | C25 | C22 | H9 | 175.5° | 71.0° |
| C28 | C25 | C22 | H10 | 55.3° | 49.2° |
| C28 | C25 | H11 | H12 | 119.4° | 120.0° |
| C25 | C28 | H13 | H14 | 119.0° | 120.2° |
| C25 | C28 | N31 | H41 | 133.2° | 108.1° |
| C25 | C22 | C19 | H7 | 139.2° | 88.7° |
| C25 | C22 | C19 | H8 | 18.2° | 31.3° |
| C25 | C22 | H9 | H10 | 120.2° | 120.2° |
| C22 | C25 | H11 | H12 | 119.4° | 120.1° |
| C22 | C25 | C28 | H13 | 40.5° | 61.1° |
| C22 | C25 | C28 | H14 | 78.8° | 59.1° |
| H1 | C3 | C5 | H2 | 159.9° | 37.9° |
| H1 | C3 | C5 | H3 | 41.0° | 82.2° |
| H1 | C3 | C50 | H21 | 177.5° | 176.4° |
| H1 | C3 | N1 | H40 | 170.1° | 167.9° |
| H4 | C12 | C14 | H5 | 0.1° | 0.2° |
| H5 | C14 | C16 | H6 | 0.3° | 0.0° |
| H7 | C19 | C22 | H9 | 100.8° | 31.3° |
| H7 | C19 | C22 | H10 | 19.3° | 151.4° |
| H8 | C19 | C22 | H9 | 138.2° | 151.2° |
| H8 | C19 | C22 | H10 | 101.7° | 88.7° |
| H9 | C22 | C25 | H11 | 55.3° | 169.0° |
| H9 | C22 | C25 | H12 | 64.3° | 48.9° |
| H10 | C22 | C25 | H11 | 64.9° | 70.8° |
| H10 | C22 | C25 | H12 | 175.6° | 169.1° |
| H11 | C25 | C28 | H13 | 160.7° | 179.0° |
| H11 | C25 | C28 | H14 | 41.3° | 60.9° |
| H12 | C25 | C28 | H13 | 79.7° | 58.9° |
| H12 | C25 | C28 | H14 | 160.9° | 179.1° |
| H13 | C28 | N31 | H41 | 106.5° | 11.7° |
| H14 | C28 | N31 | H41 | 12.8° | 132.0° |
| H18 | C44 | H19 | H20 | 120.0° | 120.0° |
| H21 | C50 | C54 | H22 | 156.6° | 60.7° |
| H21 | C50 | C54 | H23 | 36.6° | 179.3° |
| H21 | C50 | O52 | H44 | 61.7° | 180.0° |
| H22 | C54 | N57 | H42 | 155.6° | 59.1° |
| H23 | C54 | N57 | H42 | 35.6° | 179.2° |
| H24 | C60 | C63 | H26 | 0.4° | 145.1° |
| H24 | C60 | C63 | H27 | 140.5° | 0.0° |
| H25 | C60 | C63 | H26 | 140.6° | 0.0° |
| H25 | C60 | C63 | H27 | 0.4° | 145.1° |
| H29 | C70 | C72 | H30 | 0.3° | 0.0° |
| H30 | C72 | C74 | H31 | 0.4° | 0.2° |
| H32 | C76 | C78 | H33 | 63.9° | 54.7° |
| H32 | C76 | C78 | H34 | 176.1° | 65.4° |
| H32 | C76 | C78 | H35 | 56.1° | 174.7° |
| H32 | C76 | C82 | H36 | 63.8° | 176.6° |
| H32 | C76 | C82 | H37 | 56.3° | 56.6° |
| H32 | C76 | C82 | H38 | 176.2° | 63.4° |
| H33 | C78 | H34 | H35 | 120.0° | 120.0° |
| H36 | C82 | H37 | H38 | 120.0° | 120.0° |
