BG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F60 | C54 | sing | 1.40Å | 1.33Å | |
| F58 | C54 | sing | 1.40Å | 1.33Å | |
| F56 | C54 | sing | 1.40Å | 1.30Å | |
| C54 | C45 | sing | 1.51Å | 1.50Å | |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.41Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.38Å | Aromatic |
| C62 | C44 | sing | 1.51Å | 1.51Å | |
| C62 | N64 | sing | 1.46Å | 1.46Å | |
| C44 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| N64 | C66 | sing | 1.35Å | 1.34Å | |
| C47 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C43 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C66 | O76 | doub | 1.22Å | 1.24Å | |
| C66 | C68 | sing | 1.47Å | 1.47Å | |
| C41 | C32 | sing | 1.48Å | 1.47Å | |
| C68 | C70 | doub | 1.33Å | 1.34Å | |
| C74 | C70 | sing | 1.51Å | 1.49Å | |
| C70 | C72 | sing | 1.51Å | 1.51Å | |
| C32 | N33 | doub | 1.32Å | 1.33Å | Aromatic |
| C32 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| N33 | N34 | sing | 1.40Å | 1.37Å | Aromatic |
| O17 | C15 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C25 | N19 | sing | 1.47Å | 1.45Å | |
| C24 | C23 | doub | 1.36Å | 1.35Å | Aromatic |
| C15 | N19 | sing | 1.35Å | 1.34Å | |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| N34 | C23 | sing | 1.35Å | 1.35Å | Aromatic |
| N34 | C39 | sing | 1.47Å | 1.45Å | |
| N19 | C21 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C39 | C78 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C13 | C1 | sing | 1.53Å | 1.53Å | |
| C84 | N82 | sing | 1.47Å | 1.45Å | |
| C80 | C78 | sing | 1.53Å | 1.52Å | |
| C80 | N82 | sing | 1.47Å | 1.47Å | |
| C3 | N4 | sing | 1.47Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| N82 | C86 | sing | 1.47Å | 1.46Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.08Å | 1.08Å | |
| C46 | H21 | sing | 1.08Å | 1.08Å | |
| C47 | H22 | sing | 1.08Å | 1.08Å | |
| C62 | H23 | sing | 1.09Å | 1.10Å | |
| C62 | H24 | sing | 1.09Å | 1.10Å | |
| C68 | H25 | sing | 1.08Å | 1.08Å | |
| C72 | H26 | sing | 1.09Å | 1.10Å | |
| C72 | H27 | sing | 1.09Å | 1.10Å | |
| C72 | H28 | sing | 1.09Å | 1.10Å | |
| C74 | H29 | sing | 1.09Å | 1.10Å | |
| C74 | H30 | sing | 1.09Å | 1.10Å | |
| C74 | H31 | sing | 1.09Å | 1.10Å | |
| C78 | H32 | sing | 1.09Å | 1.10Å | |
| C78 | H33 | sing | 1.09Å | 1.10Å | |
| C80 | H34 | sing | 1.09Å | 1.10Å | |
| C80 | H35 | sing | 1.09Å | 1.10Å | |
| C84 | H36 | sing | 1.09Å | 1.10Å | |
| C84 | H37 | sing | 1.09Å | 1.10Å | |
| C84 | H38 | sing | 1.09Å | 1.10Å | |
| C86 | H39 | sing | 1.09Å | 1.10Å | |
| C86 | H40 | sing | 1.09Å | 1.10Å | |
| C86 | H41 | sing | 1.09Å | 1.10Å | |
| N4 | H42 | sing | 1.01Å | 1.00Å | |
| N64 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F60 | C54 | F58 | 105.2° | 109.4° |
| F60 | C54 | F56 | 105.5° | 109.5° |
| F60 | C54 | C45 | 112.7° | 109.5° |
| F58 | C54 | F56 | 107.6° | 109.4° |
| F58 | C54 | C45 | 111.8° | 109.5° |
| F56 | C54 | C45 | 113.5° | 109.5° |
| C54 | C45 | C46 | 119.2° | 119.9° |
| C54 | C45 | C44 | 121.5° | 119.9° |
| C46 | C45 | C44 | 119.3° | 120.2° |
| C45 | C46 | C47 | 121.0° | 120.1° |
| C45 | C46 | H21 | 119.5° | 119.9° |
| C45 | C44 | C62 | 121.4° | 119.9° |
| C45 | C44 | C43 | 119.0° | 120.2° |
| C46 | C47 | C41 | 120.3° | 119.9° |
| C47 | C46 | H21 | 119.5° | 120.0° |
| C46 | C47 | H22 | 119.9° | 120.1° |
| C44 | C62 | N64 | 107.7° | 109.4° |
| C62 | C44 | C43 | 119.6° | 119.9° |
| C44 | C62 | H23 | 109.9° | 109.5° |
| C44 | C62 | H24 | 109.9° | 109.5° |
| C62 | N64 | C66 | 121.7° | 120.0° |
| N64 | C62 | H23 | 109.9° | 109.4° |
| N64 | C62 | H24 | 109.9° | 109.5° |
| C62 | N64 | H44 | 119.1° | 120.1° |
| C44 | C43 | C41 | 121.4° | 119.9° |
| C44 | C43 | H20 | 119.3° | 120.1° |
| N64 | C66 | O76 | 121.8° | 120.0° |
| N64 | C66 | C68 | 114.3° | 120.0° |
| C66 | N64 | H44 | 119.1° | 120.0° |
| C47 | C41 | C43 | 119.1° | 119.8° |
| C47 | C41 | C32 | 121.4° | 120.1° |
| C41 | C47 | H22 | 119.8° | 120.1° |
| C43 | C41 | C32 | 119.5° | 120.1° |
| C41 | C43 | H20 | 119.3° | 120.1° |
| O76 | C66 | C68 | 123.9° | 120.0° |
| C66 | C68 | C70 | 127.9° | 120.0° |
| C66 | C68 | H25 | 116.1° | 120.0° |
| C41 | C32 | N33 | 119.9° | 126.1° |
| C41 | C32 | C24 | 129.0° | 126.1° |
| C68 | C70 | C74 | 124.0° | 120.0° |
| C68 | C70 | C72 | 121.5° | 120.0° |
| C70 | C68 | H25 | 116.1° | 120.0° |
| C74 | C70 | C72 | 114.5° | 120.0° |
| C70 | C74 | H29 | 109.5° | 109.5° |
| C70 | C74 | H30 | 109.5° | 109.4° |
| C70 | C74 | H31 | 109.5° | 109.5° |
| C70 | C72 | H26 | 109.5° | 109.5° |
| C70 | C72 | H27 | 109.5° | 109.4° |
| C70 | C72 | H28 | 109.5° | 109.5° |
| N33 | C32 | C24 | 111.1° | 107.8° |
| C32 | N33 | N34 | 104.0° | 108.1° |
| C32 | C24 | C25 | 132.5° | 128.0° |
| C32 | C24 | C23 | 105.2° | 108.1° |
| N33 | N34 | C23 | 112.0° | 108.1° |
| N33 | N34 | C39 | 119.3° | 125.9° |
| O17 | C15 | N19 | 121.4° | 120.0° |
| O17 | C15 | C13 | 121.1° | 120.0° |
| C24 | C25 | N19 | 107.7° | 107.3° |
| C25 | C24 | C23 | 122.2° | 123.9° |
| C24 | C25 | H16 | 109.9° | 109.9° |
| C24 | C25 | H17 | 109.9° | 109.9° |
| C25 | N19 | C15 | 121.3° | 120.9° |
| C25 | N19 | C21 | 113.9° | 118.3° |
| N19 | C25 | H16 | 109.9° | 109.9° |
| N19 | C25 | H17 | 109.9° | 109.9° |
| C24 | C23 | N34 | 107.6° | 107.9° |
| C24 | C23 | C22 | 125.2° | 124.4° |
| N19 | C15 | C13 | 117.5° | 120.0° |
| C15 | N19 | C21 | 124.8° | 120.8° |
| C15 | C13 | C1 | 115.6° | 109.5° |
| C15 | C13 | H10 | 107.9° | 109.5° |
| C15 | C13 | H11 | 107.9° | 109.5° |
| C23 | N34 | C39 | 128.8° | 125.9° |
| N34 | C23 | C22 | 127.2° | 127.7° |
| N34 | C39 | C78 | 112.1° | 109.5° |
| N34 | C39 | H18 | 108.8° | 109.4° |
| N34 | C39 | H19 | 108.8° | 109.5° |
| N19 | C21 | C22 | 111.4° | 109.1° |
| N19 | C21 | H12 | 109.0° | 109.5° |
| N19 | C21 | H13 | 109.0° | 109.6° |
| C23 | C22 | C21 | 109.1° | 108.9° |
| C23 | C22 | H14 | 109.6° | 109.6° |
| C23 | C22 | H15 | 109.6° | 109.6° |
| C39 | C78 | C80 | 113.3° | 109.4° |
| C78 | C39 | H18 | 108.8° | 109.5° |
| C78 | C39 | H19 | 108.8° | 109.5° |
| C39 | C78 | H32 | 108.5° | 109.5° |
| C39 | C78 | H33 | 108.5° | 109.5° |
| C3 | C2 | C1 | 112.9° | 109.3° |
| C2 | C3 | N4 | 111.1° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.5° |
| C3 | C2 | H3 | 108.6° | 109.5° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C2 | C3 | H5 | 109.1° | 109.4° |
| C2 | C1 | C13 | 111.6° | 109.6° |
| C2 | C1 | C6 | 109.0° | 109.2° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.5° |
| C1 | C2 | H3 | 108.6° | 109.5° |
| C13 | C1 | C6 | 111.3° | 109.5° |
| C13 | C1 | H1 | 108.3° | 109.5° |
| C1 | C13 | H10 | 107.9° | 109.5° |
| C1 | C13 | H11 | 107.9° | 109.5° |
| C84 | N82 | C80 | 110.5° | 111.0° |
| C84 | N82 | C86 | 109.7° | 111.0° |
| N82 | C84 | H36 | 109.5° | 109.4° |
| N82 | C84 | H37 | 109.5° | 109.4° |
| N82 | C84 | H38 | 109.5° | 109.5° |
| C78 | C80 | N82 | 113.9° | 109.5° |
| C80 | C78 | H32 | 108.5° | 109.5° |
| C80 | C78 | H33 | 108.5° | 109.4° |
| C78 | C80 | H34 | 108.4° | 109.5° |
| C78 | C80 | H35 | 108.4° | 109.4° |
| C80 | N82 | C86 | 110.7° | 111.0° |
| N82 | C80 | H34 | 108.4° | 109.5° |
| N82 | C80 | H35 | 108.3° | 109.4° |
| C3 | N4 | C5 | 111.6° | 111.2° |
| N4 | C3 | H4 | 109.1° | 109.5° |
| N4 | C3 | H5 | 109.0° | 109.4° |
| C3 | N4 | H42 | 109.0° | 111.0° |
| C1 | C6 | C5 | 113.2° | 109.3° |
| C6 | C1 | H1 | 108.1° | 109.5° |
| C1 | C6 | H8 | 108.5° | 109.5° |
| C1 | C6 | H9 | 108.5° | 109.5° |
| C22 | C21 | H12 | 109.0° | 109.5° |
| C22 | C21 | H13 | 109.0° | 109.6° |
| C21 | C22 | H14 | 109.6° | 109.5° |
| C21 | C22 | H15 | 109.6° | 109.6° |
| N82 | C86 | H39 | 109.5° | 109.5° |
| N82 | C86 | H40 | 109.5° | 109.5° |
| N82 | C86 | H41 | 109.5° | 109.5° |
| N4 | C5 | C6 | 110.6° | 109.5° |
| N4 | C5 | H6 | 109.2° | 109.5° |
| N4 | C5 | H7 | 109.2° | 109.4° |
| C5 | N4 | H42 | 108.9° | 111.0° |
| C6 | C5 | H6 | 109.2° | 109.5° |
| C6 | C5 | H7 | 109.2° | 109.4° |
| C5 | C6 | H8 | 108.5° | 109.5° |
| C5 | C6 | H9 | 108.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.6° |
| H14 | C22 | H15 | 109.5° | 109.6° |
| H16 | C25 | H17 | 109.5° | 109.9° |
| H18 | C39 | H19 | 109.5° | 109.4° |
| H23 | C62 | H24 | 109.5° | 109.4° |
| H26 | C72 | H27 | 109.5° | 109.5° |
| H26 | C72 | H28 | 109.5° | 109.5° |
| H27 | C72 | H28 | 109.5° | 109.5° |
| H29 | C74 | H30 | 109.4° | 109.5° |
| H29 | C74 | H31 | 109.5° | 109.5° |
| H30 | C74 | H31 | 109.4° | 109.5° |
| H32 | C78 | H33 | 109.5° | 109.5° |
| H34 | C80 | H35 | 109.5° | 109.5° |
| H36 | C84 | H37 | 109.4° | 109.4° |
| H36 | C84 | H38 | 109.5° | 109.5° |
| H37 | C84 | H38 | 109.5° | 109.5° |
| H39 | C86 | H40 | 109.4° | 109.4° |
| H39 | C86 | H41 | 109.5° | 109.5° |
| H40 | C86 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F60 | C54 | F58 | F56 | 112.1° | 120.0° |
| F60 | C54 | F58 | C45 | 122.7° | 120.0° |
| F60 | C54 | F56 | C45 | 123.9° | 120.0° |
| F60 | C54 | C45 | C46 | 1.7° | 120.0° |
| F60 | C54 | C45 | C44 | 179.4° | 60.3° |
| F58 | C54 | F56 | C45 | 124.2° | 120.0° |
| F58 | C54 | C45 | C46 | 116.6° | 120.0° |
| F58 | C54 | C45 | C44 | 62.4° | 59.7° |
| F56 | C54 | C45 | C46 | 121.5° | 0.1° |
| F56 | C54 | C45 | C44 | 59.5° | 179.7° |
| C54 | C45 | C46 | C44 | 179.0° | 179.7° |
| C54 | C45 | C46 | C47 | 179.5° | 180.0° |
| C54 | C45 | C44 | C62 | 1.5° | 0.3° |
| C54 | C45 | C44 | C43 | 179.6° | 179.7° |
| C54 | C45 | C46 | H21 | 0.5° | 0.2° |
| C45 | C46 | C47 | H21 | 180.0° | 179.8° |
| C46 | C45 | C44 | C62 | 179.6° | 180.0° |
| C46 | C45 | C44 | C43 | 0.7° | 0.0° |
| C45 | C46 | C47 | C41 | 0.0° | 0.5° |
| C45 | C46 | C47 | H22 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 0.5° | 0.2° |
| C45 | C44 | C62 | C43 | 178.9° | 180.0° |
| C45 | C44 | C62 | N64 | 110.7° | 80.0° |
| C45 | C44 | C43 | C41 | 0.4° | 0.0° |
| C45 | C44 | C43 | H20 | 179.6° | 180.0° |
| C44 | C45 | C46 | H21 | 179.5° | 179.9° |
| C45 | C44 | C62 | H23 | 129.6° | 160.0° |
| C45 | C44 | C62 | H24 | 9.1° | 40.0° |
| C46 | C47 | C41 | H22 | 180.0° | 179.6° |
| C46 | C47 | C41 | C43 | 0.3° | 0.4° |
| C46 | C47 | C41 | C32 | 179.8° | 179.8° |
| C44 | C62 | N64 | H23 | 119.7° | 120.0° |
| C44 | C62 | N64 | H24 | 119.7° | 120.1° |
| C44 | C62 | N64 | C66 | 114.8° | 180.0° |
| C62 | C44 | C43 | C41 | 179.3° | 180.0° |
| C62 | C44 | C43 | H20 | 0.7° | 0.0° |
| C44 | C62 | H23 | H24 | 120.8° | 120.0° |
| C44 | C62 | N64 | H44 | 65.2° | 0.1° |
| N64 | C62 | C44 | C43 | 68.2° | 100.0° |
| C62 | N64 | C66 | H44 | 180.0° | 179.9° |
| C62 | N64 | C66 | O76 | 0.7° | 0.1° |
| C62 | N64 | C66 | C68 | 178.9° | 180.0° |
| N64 | C62 | H23 | H24 | 120.8° | 120.0° |
| C44 | C43 | C41 | C47 | 0.1° | 0.2° |
| C44 | C43 | C41 | H20 | 180.0° | 179.9° |
| C44 | C43 | C41 | C32 | 179.6° | 180.0° |
| C43 | C44 | C62 | H23 | 51.5° | 20.0° |
| C43 | C44 | C62 | H24 | 172.0° | 140.0° |
| N64 | C66 | O76 | C68 | 179.6° | 180.0° |
| N64 | C66 | C68 | C70 | 134.5° | 174.0° |
| C66 | N64 | C62 | H23 | 4.9° | 60.0° |
| C66 | N64 | C62 | H24 | 125.5° | 59.9° |
| N64 | C66 | C68 | H25 | 45.5° | 6.0° |
| C47 | C41 | C43 | C32 | 179.5° | 179.8° |
| C47 | C41 | C32 | N33 | 40.4° | 144.7° |
| C47 | C41 | C32 | C24 | 139.5° | 35.2° |
| C47 | C41 | C43 | H20 | 179.9° | 179.7° |
| C41 | C47 | C46 | H21 | 180.0° | 179.7° |
| C43 | C41 | C32 | N33 | 140.1° | 35.0° |
| C43 | C41 | C32 | C24 | 40.0° | 145.0° |
| C43 | C41 | C47 | H22 | 179.7° | 180.0° |
| O76 | C66 | C68 | C70 | 45.9° | 6.0° |
| O76 | C66 | C68 | H25 | 134.1° | 174.0° |
| O76 | C66 | N64 | H44 | 179.3° | 180.0° |
| C66 | C68 | C70 | H25 | 180.0° | 180.0° |
| C66 | C68 | C70 | C74 | 0.7° | 172.9° |
| C66 | C68 | C70 | C72 | 179.6° | 7.2° |
| C68 | C66 | N64 | H44 | 1.1° | 0.0° |
| C41 | C32 | N33 | C24 | 179.9° | 180.0° |
| C41 | C32 | N33 | N34 | 179.6° | 180.0° |
| C41 | C32 | C24 | C25 | 0.1° | 0.3° |
| C41 | C32 | C24 | C23 | 179.7° | 179.8° |
| C32 | C41 | C43 | H20 | 0.4° | 0.0° |
| C32 | C41 | C47 | H22 | 0.2° | 0.2° |
| C68 | C70 | C74 | C72 | 179.8° | 180.0° |
| C68 | C70 | C72 | H26 | 180.0° | 84.4° |
| C68 | C70 | C72 | H27 | 60.0° | 155.6° |
| C68 | C70 | C72 | H28 | 60.0° | 35.6° |
| C68 | C70 | C74 | H29 | 180.0° | 90.0° |
| C68 | C70 | C74 | H30 | 60.0° | 150.0° |
| C68 | C70 | C74 | H31 | 60.0° | 30.0° |
| C74 | C70 | C68 | H25 | 179.3° | 7.1° |
| C74 | C70 | C72 | H26 | 0.2° | 95.6° |
| C74 | C70 | C72 | H27 | 119.8° | 24.3° |
| C74 | C70 | C72 | H28 | 120.2° | 144.4° |
| C70 | C74 | H29 | H30 | 120.0° | 120.0° |
| C70 | C74 | H29 | H31 | 120.0° | 120.0° |
| C70 | C74 | H30 | H31 | 120.0° | 120.0° |
| C72 | C70 | C68 | H25 | 0.4° | 172.8° |
| C70 | C72 | H26 | H27 | 120.0° | 120.0° |
| C70 | C72 | H26 | H28 | 120.0° | 120.0° |
| C70 | C72 | H27 | H28 | 120.0° | 120.0° |
| C72 | C70 | C74 | H29 | 0.2° | 90.0° |
| C72 | C70 | C74 | H30 | 120.2° | 30.0° |
| C72 | C70 | C74 | H31 | 119.8° | 150.0° |
| N33 | C32 | C24 | C25 | 179.8° | 179.7° |
| N33 | C32 | C24 | C23 | 0.2° | 0.2° |
| C32 | N33 | N34 | C23 | 0.3° | 0.1° |
| C32 | N33 | N34 | C39 | 179.7° | 179.8° |
| C24 | C32 | N33 | N34 | 0.3° | 0.0° |
| C32 | C24 | C25 | C23 | 179.5° | 179.9° |
| C32 | C24 | C25 | N19 | 157.6° | 168.9° |
| C32 | C24 | C23 | N34 | 0.0° | 0.3° |
| C32 | C24 | C23 | C22 | 180.0° | 179.7° |
| C32 | C24 | C25 | H16 | 37.9° | 71.6° |
| C32 | C24 | C25 | H17 | 82.7° | 49.5° |
| N33 | N34 | C23 | C24 | 0.2° | 0.2° |
| N33 | N34 | C23 | C39 | 179.3° | 180.0° |
| N33 | N34 | C23 | C22 | 179.8° | 179.7° |
| N33 | N34 | C39 | C78 | 97.7° | 90.0° |
| N33 | N34 | C39 | H18 | 22.7° | 30.0° |
| N33 | N34 | C39 | H19 | 141.9° | 150.0° |
| O17 | C15 | N19 | C25 | 0.4° | 0.0° |
| O17 | C15 | N19 | C13 | 179.8° | 180.0° |
| O17 | C15 | N19 | C21 | 179.6° | 180.0° |
| O17 | C15 | C13 | C1 | 57.7° | 0.0° |
| O17 | C15 | C13 | H10 | 178.6° | 120.0° |
| O17 | C15 | C13 | H11 | 63.2° | 120.0° |
| C24 | C25 | N19 | H16 | 119.7° | 119.5° |
| C24 | C25 | N19 | H17 | 119.7° | 119.5° |
| C24 | C25 | N19 | C15 | 124.9° | 135.8° |
| C25 | C24 | C23 | N34 | 179.6° | 179.7° |
| C24 | C25 | N19 | C21 | 54.4° | 44.2° |
| C25 | C24 | C23 | C22 | 0.4° | 0.4° |
| C24 | C25 | H16 | H17 | 120.8° | 121.1° |
| N19 | C25 | C24 | C23 | 21.9° | 11.2° |
| C25 | N19 | C15 | C21 | 179.2° | 180.0° |
| C25 | N19 | C15 | C13 | 179.4° | 180.0° |
| C25 | N19 | C21 | C22 | 65.6° | 64.5° |
| C25 | N19 | C21 | H12 | 174.1° | 175.6° |
| C25 | N19 | C21 | H13 | 54.7° | 55.5° |
| N19 | C25 | H16 | H17 | 120.8° | 121.0° |
| C24 | C23 | N34 | C22 | 180.0° | 180.0° |
| C24 | C23 | N34 | C39 | 179.5° | 179.7° |
| C24 | C23 | C22 | C21 | 7.3° | 17.9° |
| C24 | C23 | C22 | H14 | 127.3° | 137.7° |
| C24 | C23 | C22 | H15 | 112.6° | 102.0° |
| C23 | C24 | C25 | H16 | 141.6° | 108.3° |
| C23 | C24 | C25 | H17 | 97.8° | 130.6° |
| N19 | C15 | C13 | C1 | 122.5° | 180.0° |
| C15 | N19 | C21 | C22 | 113.7° | 115.5° |
| N19 | C15 | C13 | H10 | 1.6° | 60.0° |
| N19 | C15 | C13 | H11 | 116.6° | 60.0° |
| C15 | N19 | C21 | H12 | 6.6° | 4.4° |
| C15 | N19 | C21 | H13 | 126.1° | 124.5° |
| C15 | N19 | C25 | H16 | 5.1° | 104.8° |
| C15 | N19 | C25 | H17 | 115.4° | 16.3° |
| C13 | C15 | N19 | C21 | 0.2° | 0.0° |
| C15 | C13 | C1 | C2 | 35.0° | 65.2° |
| C15 | C13 | C1 | H10 | 120.9° | 120.0° |
| C15 | C13 | C1 | H11 | 120.9° | 120.0° |
| C15 | C13 | C1 | C6 | 156.9° | 175.0° |
| C15 | C13 | C1 | H1 | 84.4° | 54.9° |
| C15 | C13 | H10 | H11 | 117.2° | 120.0° |
| C23 | N34 | C39 | C78 | 81.5° | 90.0° |
| N34 | C23 | C22 | C21 | 172.6° | 162.1° |
| N34 | C23 | C22 | H14 | 52.7° | 42.3° |
| N34 | C23 | C22 | H15 | 67.4° | 78.0° |
| C23 | N34 | C39 | H18 | 158.0° | 150.0° |
| C23 | N34 | C39 | H19 | 38.8° | 30.1° |
| C39 | N34 | C23 | C22 | 0.5° | 0.3° |
| N34 | C39 | C78 | H18 | 120.4° | 120.0° |
| N34 | C39 | C78 | H19 | 120.4° | 120.0° |
| N34 | C39 | C78 | C80 | 55.5° | 180.0° |
| N34 | C39 | H18 | H19 | 118.8° | 119.9° |
| N34 | C39 | C78 | H32 | 176.1° | 60.0° |
| N34 | C39 | C78 | H33 | 65.0° | 60.1° |
| N19 | C21 | C22 | C23 | 37.3° | 45.4° |
| N19 | C21 | C22 | H12 | 120.3° | 119.9° |
| N19 | C21 | C22 | H13 | 120.3° | 120.0° |
| N19 | C21 | H12 | H13 | 119.1° | 120.2° |
| N19 | C21 | C22 | H14 | 157.3° | 165.2° |
| N19 | C21 | C22 | H15 | 82.6° | 74.5° |
| C21 | N19 | C25 | H16 | 174.1° | 75.2° |
| C21 | N19 | C25 | H17 | 65.3° | 163.7° |
| C23 | C22 | C21 | H14 | 119.9° | 119.8° |
| C23 | C22 | C21 | H15 | 119.9° | 119.9° |
| C23 | C22 | C21 | H12 | 157.6° | 165.3° |
| C23 | C22 | C21 | H13 | 82.9° | 74.5° |
| C23 | C22 | H14 | H15 | 120.2° | 120.4° |
| C39 | C78 | C80 | H32 | 120.6° | 120.0° |
| C39 | C78 | C80 | H33 | 120.6° | 120.0° |
| C39 | C78 | C80 | N82 | 162.9° | 180.0° |
| C78 | C39 | H18 | H19 | 118.8° | 120.1° |
| C39 | C78 | H32 | H33 | 118.3° | 120.1° |
| C39 | C78 | C80 | H34 | 76.4° | 59.9° |
| C39 | C78 | C80 | H35 | 42.2° | 60.0° |
| C3 | C2 | C1 | H2 | 120.5° | 120.0° |
| C3 | C2 | C1 | H3 | 120.5° | 119.9° |
| C3 | C2 | C1 | C13 | 177.1° | 177.6° |
| C2 | C3 | N4 | H4 | 120.3° | 120.0° |
| C2 | C3 | N4 | H5 | 120.3° | 120.0° |
| C3 | C2 | C1 | C6 | 59.6° | 57.6° |
| C2 | C3 | N4 | C5 | 45.0° | 61.8° |
| C3 | C2 | C1 | H1 | 57.9° | 62.3° |
| C3 | C2 | H2 | H3 | 118.5° | 120.1° |
| C2 | C3 | H4 | H5 | 119.3° | 120.0° |
| C2 | C3 | N4 | H42 | 75.4° | 174.2° |
| C2 | C1 | C13 | C6 | 121.9° | 119.8° |
| C2 | C1 | C13 | H1 | 119.4° | 120.1° |
| C1 | C2 | C3 | N4 | 17.1° | 59.2° |
| C2 | C1 | C6 | H1 | 117.8° | 119.9° |
| C2 | C1 | C6 | C5 | 40.2° | 57.6° |
| C1 | C2 | H2 | H3 | 118.4° | 120.1° |
| C1 | C2 | C3 | H4 | 103.2° | 60.9° |
| C1 | C2 | C3 | H5 | 137.4° | 179.1° |
| C2 | C1 | C6 | H8 | 80.3° | 62.3° |
| C2 | C1 | C6 | H9 | 160.7° | 177.6° |
| C2 | C1 | C13 | H10 | 85.9° | 174.7° |
| C2 | C1 | C13 | H11 | 155.9° | 54.7° |
| C13 | C1 | C6 | H1 | 118.8° | 120.1° |
| C13 | C1 | C6 | C5 | 163.7° | 177.6° |
| C13 | C1 | C2 | H2 | 62.4° | 62.4° |
| C13 | C1 | C2 | H3 | 56.6° | 57.7° |
| C13 | C1 | C6 | H8 | 43.1° | 57.7° |
| C13 | C1 | C6 | H9 | 75.8° | 62.4° |
| C1 | C13 | H10 | H11 | 117.2° | 120.0° |
| C84 | N82 | C80 | C78 | 160.8° | 66.1° |
| C84 | N82 | C80 | C86 | 121.8° | 124.0° |
| C84 | N82 | C80 | H34 | 78.6° | 54.0° |
| C84 | N82 | C80 | H35 | 40.1° | 174.0° |
| N82 | C84 | H36 | H37 | 120.0° | 119.9° |
| N82 | C84 | H36 | H38 | 120.0° | 120.0° |
| N82 | C84 | H37 | H38 | 120.0° | 120.0° |
| C84 | N82 | C86 | H39 | 180.0° | 176.0° |
| C84 | N82 | C86 | H40 | 60.0° | 56.1° |
| C84 | N82 | C86 | H41 | 60.0° | 63.9° |
| C78 | C80 | N82 | H34 | 120.7° | 120.1° |
| C78 | C80 | N82 | H35 | 120.7° | 120.0° |
| C78 | C80 | N82 | C86 | 77.5° | 170.0° |
| C80 | C78 | C39 | H18 | 64.9° | 60.0° |
| C80 | C78 | C39 | H19 | 175.9° | 60.0° |
| C80 | C78 | H32 | H33 | 118.2° | 119.9° |
| C78 | C80 | H34 | H35 | 118.0° | 120.0° |
| N82 | C80 | C78 | H32 | 42.3° | 60.0° |
| N82 | C80 | C78 | H33 | 76.5° | 60.0° |
| N82 | C80 | H34 | H35 | 118.0° | 120.0° |
| C80 | N82 | C84 | H36 | 180.0° | 60.0° |
| C80 | N82 | C84 | H37 | 60.0° | 180.0° |
| C80 | N82 | C84 | H38 | 60.0° | 60.0° |
| C80 | N82 | C86 | H39 | 57.7° | 60.0° |
| C80 | N82 | C86 | H40 | 62.3° | 180.0° |
| C80 | N82 | C86 | H41 | 177.8° | 60.0° |
| C3 | N4 | C5 | H42 | 120.4° | 124.1° |
| C3 | N4 | C5 | C6 | 64.3° | 61.7° |
| N4 | C3 | C2 | H2 | 103.4° | 179.2° |
| N4 | C3 | C2 | H3 | 137.6° | 60.7° |
| N4 | C3 | H4 | H5 | 119.2° | 120.0° |
| C3 | N4 | C5 | H6 | 175.6° | 178.2° |
| C3 | N4 | C5 | H7 | 55.9° | 58.2° |
| C1 | C6 | C5 | N4 | 18.9° | 59.1° |
| C1 | C6 | C5 | H8 | 120.5° | 119.9° |
| C1 | C6 | C5 | H9 | 120.5° | 120.0° |
| C6 | C1 | C2 | H2 | 60.9° | 177.6° |
| C6 | C1 | C2 | H3 | 179.9° | 62.3° |
| C1 | C6 | C5 | H6 | 139.0° | 179.2° |
| C1 | C6 | C5 | H7 | 101.3° | 60.8° |
| C1 | C6 | H8 | H9 | 118.3° | 120.1° |
| C6 | C1 | C13 | H10 | 36.0° | 55.0° |
| C6 | C1 | C13 | H11 | 82.2° | 65.0° |
| C22 | C21 | H12 | H13 | 119.1° | 120.2° |
| C21 | C22 | H14 | H15 | 120.2° | 120.3° |
| C86 | N82 | C80 | H34 | 43.2° | 70.0° |
| C86 | N82 | C80 | H35 | 161.9° | 50.0° |
| C86 | N82 | C84 | H36 | 57.7° | 63.9° |
| C86 | N82 | C84 | H37 | 62.3° | 56.0° |
| C86 | N82 | C84 | H38 | 177.7° | 176.0° |
| N82 | C86 | H39 | H40 | 120.0° | 120.0° |
| N82 | C86 | H39 | H41 | 120.0° | 120.1° |
| N82 | C86 | H40 | H41 | 120.0° | 120.0° |
| N4 | C5 | C6 | H6 | 120.2° | 120.1° |
| N4 | C5 | C6 | H7 | 120.2° | 120.0° |
| C5 | N4 | C3 | H4 | 165.3° | 58.3° |
| C5 | N4 | C3 | H5 | 75.3° | 178.3° |
| N4 | C5 | H6 | H7 | 119.5° | 120.0° |
| N4 | C5 | C6 | H8 | 139.4° | 60.8° |
| N4 | C5 | C6 | H9 | 101.7° | 179.1° |
| C5 | C6 | C1 | H1 | 77.5° | 62.3° |
| C6 | C5 | H6 | H7 | 119.5° | 119.9° |
| C5 | C6 | H8 | H9 | 118.3° | 120.1° |
| C6 | C5 | N4 | H42 | 56.1° | 174.2° |
| H1 | C1 | C2 | H2 | 178.4° | 57.7° |
| H1 | C1 | C2 | H3 | 62.6° | 177.8° |
| H1 | C1 | C6 | H8 | 161.9° | 177.8° |
| H1 | C1 | C6 | H9 | 43.0° | 57.7° |
| H1 | C1 | C13 | H10 | 154.7° | 65.2° |
| H1 | C1 | C13 | H11 | 36.5° | 174.8° |
| H2 | C2 | C3 | H4 | 136.4° | 59.1° |
| H2 | C2 | C3 | H5 | 16.9° | 60.8° |
| H3 | C2 | C3 | H4 | 17.4° | 179.3° |
| H3 | C2 | C3 | H5 | 102.1° | 59.3° |
| H4 | C3 | N4 | H42 | 44.9° | 65.8° |
| H5 | C3 | N4 | H42 | 164.4° | 54.2° |
| H6 | C5 | C6 | H8 | 100.4° | 59.3° |
| H6 | C5 | C6 | H9 | 18.5° | 60.8° |
| H6 | C5 | N4 | H42 | 64.1° | 54.1° |
| H7 | C5 | C6 | H8 | 19.2° | 179.2° |
| H7 | C5 | C6 | H9 | 138.2° | 59.2° |
| H7 | C5 | N4 | H42 | 176.2° | 65.8° |
| H12 | C21 | C22 | H14 | 82.4° | 74.9° |
| H12 | C21 | C22 | H15 | 37.7° | 45.3° |
| H13 | C21 | C22 | H14 | 37.0° | 45.3° |
| H13 | C21 | C22 | H15 | 157.1° | 165.5° |
| H18 | C39 | C78 | H32 | 55.7° | 60.0° |
| H18 | C39 | C78 | H33 | 174.5° | 180.0° |
| H19 | C39 | C78 | H32 | 63.5° | 180.0° |
| H19 | C39 | C78 | H33 | 55.3° | 60.0° |
| H21 | C46 | C47 | H22 | 0.0° | 0.1° |
| H23 | C62 | N64 | H44 | 175.1° | 120.0° |
| H24 | C62 | N64 | H44 | 54.5° | 120.0° |
| H26 | C72 | H27 | H28 | 120.0° | 120.0° |
| H29 | C74 | H30 | H31 | 120.0° | 120.0° |
| H32 | C78 | C80 | H34 | 163.0° | 179.9° |
| H32 | C78 | C80 | H35 | 78.3° | 60.0° |
| H33 | C78 | C80 | H34 | 44.1° | 60.0° |
| H33 | C78 | C80 | H35 | 162.8° | 180.0° |
| H36 | C84 | H37 | H38 | 120.0° | 120.1° |
| H39 | C86 | H40 | H41 | 120.0° | 120.0° |
