BGY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C85 | C81 | sing | 1.53Å | 1.52Å | |
| C87 | C81 | sing | 1.53Å | 1.52Å | |
| C81 | C83 | sing | 1.53Å | 1.51Å | |
| C81 | O79 | sing | 1.45Å | 1.50Å | |
| O77 | C75 | doub | 1.22Å | 1.21Å | |
| C4 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| O79 | C75 | sing | 1.35Å | 1.34Å | |
| O5 | C6 | sing | 1.43Å | 1.44Å | |
| C75 | N64 | sing | 1.35Å | 1.36Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| N64 | C65 | sing | 1.47Å | 1.47Å | |
| N64 | C63 | sing | 1.47Å | 1.47Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.51Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C63 | C62 | sing | 1.53Å | 1.52Å | |
| C66 | C60 | sing | 1.53Å | 1.50Å | |
| C62 | C60 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C24 | sing | 1.51Å | 1.50Å | |
| C31 | N32 | sing | 1.47Å | 1.47Å | |
| C60 | C58 | sing | 1.53Å | 1.53Å | |
| C17 | N19 | sing | 1.47Å | 1.47Å | |
| C58 | C56 | sing | 1.51Å | 1.50Å | |
| C24 | N19 | sing | 1.35Å | 1.35Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
| N19 | N21 | sing | 1.40Å | 1.39Å | Aromatic |
| N32 | C56 | sing | 1.35Å | 1.36Å | |
| N32 | C33 | sing | 1.47Å | 1.45Å | |
| C56 | O73 | doub | 1.21Å | 1.23Å | |
| C23 | C33 | sing | 1.51Å | 1.48Å | |
| C23 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C39 | sing | 1.48Å | 1.48Å | |
| C39 | C45 | doub | 1.39Å | 1.39Å | Aromatic |
| C39 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| C45 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | I54 | sing | 2.09Å | 2.10Å | |
| C44 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | CL2 | sing | 1.74Å | 1.74Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C41 | H19 | sing | 1.08Å | 1.08Å | |
| C42 | H20 | sing | 1.08Å | 1.08Å | |
| C45 | H21 | sing | 1.08Å | 1.08Å | |
| C58 | H22 | sing | 1.09Å | 1.10Å | |
| C58 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C60 | H26 | sing | 1.09Å | 1.10Å | |
| C62 | H27 | sing | 1.09Å | 1.10Å | |
| C62 | H28 | sing | 1.09Å | 1.10Å | |
| C63 | H29 | sing | 1.09Å | 1.10Å | |
| C63 | H30 | sing | 1.09Å | 1.10Å | |
| C65 | H31 | sing | 1.09Å | 1.10Å | |
| C65 | H32 | sing | 1.09Å | 1.10Å | |
| C66 | H33 | sing | 1.09Å | 1.10Å | |
| C66 | H34 | sing | 1.09Å | 1.10Å | |
| C83 | H35 | sing | 1.09Å | 1.10Å | |
| C83 | H36 | sing | 1.09Å | 1.10Å | |
| C83 | H37 | sing | 1.09Å | 1.10Å | |
| C85 | H38 | sing | 1.09Å | 1.10Å | |
| C85 | H39 | sing | 1.09Å | 1.10Å | |
| C85 | H40 | sing | 1.09Å | 1.10Å | |
| C87 | H41 | sing | 1.09Å | 1.10Å | |
| C87 | H42 | sing | 1.09Å | 1.10Å | |
| C87 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C85 | C81 | C87 | 111.6° | 109.4° |
| C85 | C81 | C83 | 110.9° | 109.5° |
| C85 | C81 | O79 | 109.9° | 109.5° |
| C81 | C85 | H38 | 109.5° | 109.5° |
| C81 | C85 | H39 | 109.4° | 109.5° |
| C81 | C85 | H40 | 109.5° | 109.5° |
| C87 | C81 | C83 | 111.0° | 109.5° |
| C87 | C81 | O79 | 109.6° | 109.5° |
| C81 | C87 | H41 | 109.5° | 109.4° |
| C81 | C87 | H42 | 109.5° | 109.5° |
| C81 | C87 | H43 | 109.5° | 109.5° |
| C83 | C81 | O79 | 103.6° | 109.5° |
| C81 | C83 | H35 | 109.5° | 109.5° |
| C81 | C83 | H36 | 109.5° | 109.4° |
| C81 | C83 | H37 | 109.5° | 109.4° |
| C81 | O79 | C75 | 121.8° | 117.0° |
| O77 | C75 | O79 | 126.0° | 120.0° |
| O77 | C75 | N64 | 123.8° | 120.0° |
| O5 | C4 | C3 | 111.7° | 109.2° |
| C4 | O5 | C6 | 110.1° | 113.7° |
| O5 | C4 | H17 | 108.9° | 109.5° |
| O5 | C4 | H18 | 108.9° | 109.5° |
| C4 | C3 | N2 | 109.8° | 109.2° |
| C4 | C3 | H15 | 109.4° | 109.5° |
| C4 | C3 | H16 | 109.4° | 109.6° |
| C3 | C4 | H17 | 108.9° | 109.5° |
| C3 | C4 | H18 | 108.9° | 109.5° |
| O79 | C75 | N64 | 110.2° | 120.0° |
| O5 | C6 | C1 | 111.7° | 109.3° |
| O5 | C6 | H24 | 108.9° | 109.6° |
| O5 | C6 | H25 | 108.9° | 109.5° |
| C75 | N64 | C65 | 123.7° | 120.7° |
| C75 | N64 | C63 | 122.2° | 120.6° |
| C6 | C1 | N2 | 110.1° | 109.3° |
| C6 | C1 | H13 | 109.3° | 109.5° |
| C6 | C1 | H14 | 109.3° | 109.5° |
| C1 | C6 | H24 | 108.9° | 109.5° |
| C1 | C6 | H25 | 108.9° | 109.4° |
| C3 | N2 | C1 | 108.7° | 110.8° |
| C3 | N2 | C13 | 111.6° | 111.0° |
| N2 | C3 | H15 | 109.4° | 109.5° |
| N2 | C3 | H16 | 109.4° | 109.5° |
| C65 | N64 | C63 | 113.6° | 118.7° |
| N64 | C65 | C66 | 111.3° | 108.8° |
| N64 | C65 | H31 | 109.0° | 109.6° |
| N64 | C65 | H32 | 109.0° | 109.7° |
| N64 | C63 | C62 | 111.5° | 108.8° |
| N64 | C63 | H29 | 109.0° | 109.5° |
| N64 | C63 | H30 | 109.0° | 109.7° |
| C1 | N2 | C13 | 111.5° | 111.0° |
| N2 | C1 | H13 | 109.3° | 109.5° |
| N2 | C1 | H14 | 109.3° | 109.5° |
| N2 | C13 | C15 | 113.9° | 109.5° |
| N2 | C13 | H1 | 108.4° | 109.5° |
| N2 | C13 | H2 | 108.4° | 109.4° |
| C65 | C66 | C60 | 111.8° | 109.3° |
| C66 | C65 | H31 | 109.0° | 109.6° |
| C66 | C65 | H32 | 109.0° | 109.6° |
| C65 | C66 | H33 | 108.9° | 109.5° |
| C65 | C66 | H34 | 108.9° | 109.6° |
| C13 | C15 | C17 | 115.0° | 109.5° |
| C15 | C13 | H1 | 108.3° | 109.5° |
| C15 | C13 | H2 | 108.4° | 109.4° |
| C13 | C15 | H3 | 108.1° | 109.5° |
| C13 | C15 | H4 | 108.1° | 109.5° |
| C15 | C17 | N19 | 113.0° | 109.4° |
| C17 | C15 | H3 | 108.0° | 109.5° |
| C17 | C15 | H4 | 108.0° | 109.5° |
| C15 | C17 | H5 | 108.6° | 109.4° |
| C15 | C17 | H6 | 108.6° | 109.5° |
| C63 | C62 | C60 | 111.6° | 109.3° |
| C63 | C62 | H27 | 108.9° | 109.5° |
| C63 | C62 | H28 | 108.9° | 109.5° |
| C62 | C63 | H29 | 108.9° | 109.6° |
| C62 | C63 | H30 | 108.9° | 109.6° |
| C66 | C60 | C62 | 109.1° | 109.5° |
| C66 | C60 | C58 | 111.9° | 109.4° |
| C66 | C60 | H26 | 108.2° | 109.5° |
| C60 | C66 | H33 | 108.9° | 109.5° |
| C60 | C66 | H34 | 108.9° | 109.5° |
| C62 | C60 | C58 | 111.6° | 109.5° |
| C62 | C60 | H26 | 108.1° | 109.4° |
| C60 | C62 | H27 | 109.0° | 109.5° |
| C60 | C62 | H28 | 109.0° | 109.5° |
| C31 | C30 | C24 | 108.5° | 108.8° |
| C30 | C31 | N32 | 110.8° | 109.2° |
| C31 | C30 | H7 | 109.7° | 109.6° |
| C31 | C30 | H8 | 109.7° | 109.6° |
| C30 | C31 | H9 | 109.2° | 109.5° |
| C30 | C31 | H10 | 109.2° | 109.5° |
| C30 | C24 | N19 | 127.5° | 127.7° |
| C30 | C24 | C23 | 124.9° | 124.5° |
| C24 | C30 | H7 | 109.7° | 109.6° |
| C24 | C30 | H8 | 109.7° | 109.6° |
| C31 | N32 | C56 | 124.8° | 120.8° |
| C31 | N32 | C33 | 113.6° | 118.5° |
| N32 | C31 | H9 | 109.1° | 109.6° |
| N32 | C31 | H10 | 109.2° | 109.5° |
| C60 | C58 | C56 | 114.6° | 109.5° |
| C60 | C58 | H22 | 108.2° | 109.5° |
| C60 | C58 | H23 | 108.2° | 109.5° |
| C58 | C60 | H26 | 107.9° | 109.5° |
| C17 | N19 | C24 | 129.3° | 126.0° |
| C17 | N19 | N21 | 118.9° | 125.9° |
| N19 | C17 | H5 | 108.6° | 109.4° |
| N19 | C17 | H6 | 108.6° | 109.5° |
| C58 | C56 | N32 | 118.1° | 120.0° |
| C58 | C56 | O73 | 120.0° | 120.0° |
| C56 | C58 | H22 | 108.2° | 109.4° |
| C56 | C58 | H23 | 108.2° | 109.5° |
| N19 | C24 | C23 | 107.6° | 107.8° |
| C24 | N19 | N21 | 111.7° | 108.1° |
| C24 | C23 | C33 | 122.4° | 123.9° |
| C24 | C23 | C22 | 105.5° | 108.1° |
| N19 | N21 | C22 | 103.8° | 108.1° |
| C56 | N32 | C33 | 121.6° | 120.6° |
| N32 | C56 | O73 | 121.9° | 120.0° |
| N32 | C33 | C23 | 108.8° | 107.3° |
| N32 | C33 | H11 | 109.7° | 109.8° |
| N32 | C33 | H12 | 109.7° | 110.0° |
| C33 | C23 | C22 | 132.0° | 128.0° |
| C23 | C33 | H11 | 109.6° | 109.9° |
| C23 | C33 | H12 | 109.6° | 109.9° |
| C23 | C22 | N21 | 111.3° | 107.8° |
| C23 | C22 | C39 | 129.2° | 126.1° |
| N21 | C22 | C39 | 119.5° | 126.2° |
| C22 | C39 | C45 | 119.5° | 120.1° |
| C22 | C39 | C41 | 121.5° | 120.1° |
| C45 | C39 | C41 | 118.9° | 119.8° |
| C39 | C45 | C44 | 120.6° | 119.9° |
| C39 | C45 | H21 | 119.7° | 120.1° |
| C39 | C41 | C42 | 120.4° | 119.9° |
| C39 | C41 | H19 | 119.8° | 120.0° |
| C45 | C44 | I54 | 118.1° | 120.0° |
| C45 | C44 | C43 | 119.8° | 120.1° |
| C44 | C45 | H21 | 119.7° | 120.0° |
| C41 | C42 | C43 | 119.9° | 120.1° |
| C42 | C41 | H19 | 119.8° | 120.0° |
| C41 | C42 | H20 | 120.1° | 119.9° |
| I54 | C44 | C43 | 122.2° | 119.9° |
| C44 | C43 | C42 | 120.4° | 120.2° |
| C44 | C43 | CL2 | 121.1° | 119.9° |
| C42 | C43 | CL2 | 118.5° | 119.9° |
| C43 | C42 | H20 | 120.0° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C30 | H8 | 109.5° | 109.6° |
| H9 | C31 | H10 | 109.4° | 109.5° |
| H11 | C33 | H12 | 109.4° | 109.9° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.5° |
| H22 | C58 | H23 | 109.5° | 109.5° |
| H24 | C6 | H25 | 109.5° | 109.5° |
| H27 | C62 | H28 | 109.5° | 109.5° |
| H29 | C63 | H30 | 109.5° | 109.6° |
| H31 | C65 | H32 | 109.5° | 109.5° |
| H33 | C66 | H34 | 109.5° | 109.6° |
| H35 | C83 | H36 | 109.4° | 109.5° |
| H35 | C83 | H37 | 109.5° | 109.5° |
| H36 | C83 | H37 | 109.5° | 109.5° |
| H38 | C85 | H39 | 109.5° | 109.4° |
| H38 | C85 | H40 | 109.4° | 109.5° |
| H39 | C85 | H40 | 109.5° | 109.4° |
| H41 | C87 | H42 | 109.4° | 109.5° |
| H41 | C87 | H43 | 109.5° | 109.5° |
| H42 | C87 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C85 | C81 | C87 | C83 | 124.3° | 120.0° |
| C85 | C81 | C87 | O79 | 121.9° | 119.9° |
| C85 | C81 | C83 | O79 | 117.8° | 120.0° |
| C85 | C81 | O79 | C75 | 71.4° | 60.0° |
| C85 | C81 | C83 | H35 | 180.0° | 180.0° |
| C85 | C81 | C83 | H36 | 60.0° | 60.0° |
| C85 | C81 | C83 | H37 | 60.0° | 60.0° |
| C81 | C85 | H38 | H39 | 120.0° | 120.0° |
| C81 | C85 | H38 | H40 | 120.0° | 120.0° |
| C81 | C85 | H39 | H40 | 120.0° | 120.0° |
| C85 | C81 | C87 | H41 | 180.0° | 180.0° |
| C85 | C81 | C87 | H42 | 60.0° | 60.0° |
| C85 | C81 | C87 | H43 | 60.0° | 60.0° |
| C87 | C81 | C83 | O79 | 117.5° | 120.0° |
| C87 | C81 | O79 | C75 | 51.6° | 180.0° |
| C87 | C81 | C83 | H35 | 55.3° | 60.0° |
| C87 | C81 | C83 | H36 | 175.3° | 60.0° |
| C87 | C81 | C83 | H37 | 64.7° | 180.0° |
| C87 | C81 | C85 | H38 | 180.0° | 60.0° |
| C87 | C81 | C85 | H39 | 60.0° | 60.0° |
| C87 | C81 | C85 | H40 | 60.0° | 180.0° |
| C81 | C87 | H41 | H42 | 120.0° | 120.0° |
| C81 | C87 | H41 | H43 | 120.0° | 120.0° |
| C81 | C87 | H42 | H43 | 120.0° | 120.0° |
| C83 | C81 | O79 | C75 | 170.0° | 60.0° |
| C81 | C83 | H35 | H36 | 120.0° | 119.9° |
| C81 | C83 | H35 | H37 | 120.0° | 120.0° |
| C81 | C83 | H36 | H37 | 120.0° | 120.0° |
| C83 | C81 | C85 | H38 | 55.7° | 60.0° |
| C83 | C81 | C85 | H39 | 175.7° | 180.0° |
| C83 | C81 | C85 | H40 | 64.3° | 60.0° |
| C83 | C81 | C87 | H41 | 55.7° | 60.0° |
| C83 | C81 | C87 | H42 | 64.3° | 180.0° |
| C83 | C81 | C87 | H43 | 175.7° | 60.0° |
| C81 | O79 | C75 | O77 | 18.8° | 0.1° |
| C81 | O79 | C75 | N64 | 161.5° | 180.0° |
| O79 | C81 | C83 | H35 | 62.2° | 60.0° |
| O79 | C81 | C83 | H36 | 57.8° | 180.0° |
| O79 | C81 | C83 | H37 | 177.8° | 60.0° |
| O79 | C81 | C85 | H38 | 58.2° | 179.9° |
| O79 | C81 | C85 | H39 | 61.8° | 60.0° |
| O79 | C81 | C85 | H40 | 178.2° | 60.0° |
| O79 | C81 | C87 | H41 | 58.1° | 60.0° |
| O79 | C81 | C87 | H42 | 178.1° | 60.0° |
| O79 | C81 | C87 | H43 | 61.9° | 180.0° |
| O77 | C75 | O79 | N64 | 179.7° | 180.0° |
| O77 | C75 | N64 | C65 | 5.2° | 0.0° |
| O77 | C75 | N64 | C63 | 176.3° | 180.0° |
| O5 | C4 | C3 | H17 | 120.3° | 119.9° |
| O5 | C4 | C3 | H18 | 120.3° | 120.0° |
| C4 | O5 | C6 | C1 | 55.8° | 58.7° |
| O5 | C4 | C3 | N2 | 59.6° | 56.9° |
| O5 | C4 | C3 | H15 | 179.7° | 176.8° |
| O5 | C4 | C3 | H16 | 60.4° | 63.1° |
| O5 | C4 | H17 | H18 | 119.0° | 120.1° |
| C4 | O5 | C6 | H24 | 176.1° | 61.2° |
| C4 | O5 | C6 | H25 | 64.5° | 178.6° |
| C3 | C4 | O5 | C6 | 57.1° | 58.7° |
| C4 | C3 | N2 | H15 | 120.1° | 119.9° |
| C4 | C3 | N2 | H16 | 120.0° | 120.0° |
| C4 | C3 | N2 | C1 | 59.1° | 58.6° |
| C4 | C3 | N2 | C13 | 177.5° | 177.6° |
| C4 | C3 | H15 | H16 | 119.8° | 120.1° |
| C3 | C4 | H17 | H18 | 119.0° | 120.1° |
| O79 | C75 | N64 | C65 | 174.5° | 180.0° |
| O79 | C75 | N64 | C63 | 3.4° | 0.0° |
| O5 | C6 | C1 | H24 | 120.3° | 120.0° |
| O5 | C6 | C1 | H25 | 120.3° | 119.9° |
| O5 | C6 | C1 | N2 | 57.1° | 56.9° |
| O5 | C6 | C1 | H13 | 63.0° | 63.0° |
| O5 | C6 | C1 | H14 | 177.2° | 176.9° |
| C6 | O5 | C4 | H17 | 63.2° | 178.7° |
| C6 | O5 | C4 | H18 | 177.4° | 61.2° |
| O5 | C6 | H24 | H25 | 119.0° | 120.2° |
| C75 | N64 | C65 | C63 | 171.8° | 180.0° |
| C75 | N64 | C65 | C66 | 118.7° | 126.4° |
| C75 | N64 | C63 | C62 | 118.9° | 126.4° |
| C75 | N64 | C63 | H29 | 1.4° | 113.8° |
| C75 | N64 | C63 | H30 | 120.8° | 6.6° |
| C75 | N64 | C65 | H31 | 121.0° | 6.6° |
| C75 | N64 | C65 | H32 | 1.6° | 113.7° |
| C6 | C1 | N2 | C3 | 58.0° | 58.6° |
| C6 | C1 | N2 | H13 | 120.1° | 120.0° |
| C6 | C1 | N2 | H14 | 120.1° | 120.0° |
| C6 | C1 | N2 | C13 | 178.6° | 177.6° |
| C6 | C1 | H13 | H14 | 119.7° | 120.1° |
| C1 | C6 | H24 | H25 | 119.0° | 120.0° |
| C3 | N2 | C1 | C13 | 123.4° | 123.8° |
| C3 | N2 | C13 | C15 | 49.9° | 170.0° |
| C3 | N2 | C13 | H1 | 70.7° | 70.0° |
| C3 | N2 | C13 | H2 | 170.6° | 50.0° |
| C3 | N2 | C1 | H13 | 62.1° | 61.4° |
| C3 | N2 | C1 | H14 | 178.1° | 178.6° |
| N2 | C3 | H15 | H16 | 119.8° | 120.1° |
| N2 | C3 | C4 | H17 | 60.7° | 176.8° |
| N2 | C3 | C4 | H18 | 179.9° | 63.1° |
| N64 | C65 | C66 | H31 | 120.2° | 119.8° |
| N64 | C65 | C66 | H32 | 120.3° | 120.0° |
| C65 | N64 | C63 | C62 | 53.0° | 53.6° |
| N64 | C65 | C66 | C60 | 55.1° | 54.7° |
| C65 | N64 | C63 | H29 | 173.3° | 66.2° |
| C65 | N64 | C63 | H30 | 67.3° | 173.5° |
| N64 | C65 | H31 | H32 | 119.2° | 120.4° |
| N64 | C65 | C66 | H33 | 175.5° | 65.2° |
| N64 | C65 | C66 | H34 | 65.2° | 174.6° |
| C63 | N64 | C65 | C66 | 53.1° | 53.6° |
| N64 | C63 | C62 | H29 | 120.3° | 119.7° |
| N64 | C63 | C62 | H30 | 120.3° | 119.9° |
| N64 | C63 | C62 | C60 | 54.5° | 54.6° |
| N64 | C63 | C62 | H27 | 65.9° | 174.6° |
| N64 | C63 | C62 | H28 | 174.8° | 65.4° |
| N64 | C63 | H29 | H30 | 119.1° | 120.4° |
| C63 | N64 | C65 | H31 | 67.2° | 173.4° |
| C63 | N64 | C65 | H32 | 173.3° | 66.3° |
| C1 | N2 | C13 | C15 | 171.7° | 66.4° |
| C1 | N2 | C13 | H1 | 51.0° | 53.7° |
| C1 | N2 | C13 | H2 | 67.7° | 173.7° |
| N2 | C1 | H13 | H14 | 119.7° | 120.1° |
| C1 | N2 | C3 | H15 | 179.2° | 178.5° |
| C1 | N2 | C3 | H16 | 60.9° | 61.4° |
| N2 | C1 | C6 | H24 | 177.4° | 63.1° |
| N2 | C1 | C6 | H25 | 63.2° | 176.8° |
| N2 | C13 | C15 | H1 | 120.7° | 120.0° |
| N2 | C13 | C15 | H2 | 120.7° | 119.9° |
| N2 | C13 | C15 | C17 | 179.5° | 180.0° |
| N2 | C13 | H1 | H2 | 118.0° | 119.9° |
| N2 | C13 | C15 | H3 | 59.7° | 60.0° |
| N2 | C13 | C15 | H4 | 58.7° | 60.0° |
| C13 | N2 | C1 | H13 | 61.3° | 62.5° |
| C13 | N2 | C1 | H14 | 58.5° | 57.6° |
| C13 | N2 | C3 | H15 | 57.4° | 57.7° |
| C13 | N2 | C3 | H16 | 62.4° | 62.4° |
| C65 | C66 | C60 | H33 | 120.3° | 119.9° |
| C65 | C66 | C60 | H34 | 120.4° | 120.0° |
| C65 | C66 | C60 | C62 | 56.4° | 61.4° |
| C65 | C66 | C60 | C58 | 179.6° | 178.6° |
| C65 | C66 | C60 | H26 | 60.9° | 58.6° |
| C66 | C65 | H31 | H32 | 119.2° | 120.3° |
| C65 | C66 | H33 | H34 | 118.9° | 120.2° |
| C13 | C15 | C17 | H3 | 120.8° | 120.0° |
| C13 | C15 | C17 | H4 | 120.8° | 120.1° |
| C13 | C15 | C17 | N19 | 39.4° | 180.0° |
| C15 | C13 | H1 | H2 | 118.0° | 120.0° |
| C13 | C15 | H3 | H4 | 117.5° | 120.0° |
| C13 | C15 | C17 | H5 | 160.0° | 60.1° |
| C13 | C15 | C17 | H6 | 81.1° | 60.0° |
| C15 | C17 | N19 | H5 | 120.5° | 119.9° |
| C15 | C17 | N19 | H6 | 120.5° | 120.0° |
| C15 | C17 | N19 | C24 | 80.1° | 90.0° |
| C15 | C17 | N19 | N21 | 100.0° | 90.4° |
| C17 | C15 | C13 | H1 | 58.8° | 60.0° |
| C17 | C15 | C13 | H2 | 59.9° | 60.1° |
| C17 | C15 | H3 | H4 | 117.5° | 120.0° |
| C15 | C17 | H5 | H6 | 118.4° | 120.1° |
| C63 | C62 | C60 | C66 | 56.1° | 61.4° |
| C63 | C62 | C60 | H27 | 120.3° | 120.0° |
| C63 | C62 | C60 | H28 | 120.3° | 120.0° |
| C63 | C62 | C60 | C58 | 179.8° | 178.6° |
| C63 | C62 | C60 | H26 | 61.3° | 58.7° |
| C63 | C62 | H27 | H28 | 119.0° | 120.0° |
| C62 | C63 | H29 | H30 | 119.0° | 120.4° |
| C66 | C60 | C62 | C58 | 124.1° | 120.0° |
| C66 | C60 | C62 | H26 | 117.4° | 120.0° |
| C66 | C60 | C58 | H26 | 118.9° | 120.0° |
| C66 | C60 | C58 | C56 | 177.5° | 65.0° |
| C66 | C60 | C58 | H22 | 61.8° | 175.0° |
| C66 | C60 | C58 | H23 | 56.8° | 55.1° |
| C66 | C60 | C62 | H27 | 64.2° | 178.7° |
| C66 | C60 | C62 | H28 | 176.4° | 58.6° |
| C60 | C66 | C65 | H31 | 65.1° | 174.4° |
| C60 | C66 | C65 | H32 | 175.4° | 65.4° |
| C60 | C66 | H33 | H34 | 118.9° | 120.0° |
| C62 | C60 | C58 | H26 | 118.5° | 119.9° |
| C62 | C60 | C58 | C56 | 54.9° | 174.9° |
| C62 | C60 | C58 | H22 | 175.7° | 55.0° |
| C62 | C60 | C58 | H23 | 65.8° | 65.0° |
| C60 | C62 | H27 | H28 | 119.1° | 120.1° |
| C60 | C62 | C63 | H29 | 174.8° | 65.1° |
| C60 | C62 | C63 | H30 | 65.9° | 174.5° |
| C62 | C60 | C66 | H33 | 176.8° | 58.6° |
| C62 | C60 | C66 | H34 | 63.9° | 178.7° |
| C31 | C30 | C24 | H7 | 119.8° | 119.9° |
| C31 | C30 | C24 | H8 | 119.8° | 119.8° |
| C30 | C31 | N32 | H9 | 120.2° | 119.9° |
| C30 | C31 | N32 | H10 | 120.2° | 119.9° |
| C31 | C30 | C24 | N19 | 168.4° | 162.3° |
| C31 | C30 | C24 | C23 | 11.3° | 18.3° |
| C30 | C31 | N32 | C56 | 112.5° | 115.5° |
| C30 | C31 | N32 | C33 | 66.6° | 64.2° |
| C31 | C30 | H7 | H8 | 120.4° | 120.3° |
| C30 | C31 | H9 | H10 | 119.4° | 120.1° |
| C24 | C30 | C31 | N32 | 41.9° | 45.4° |
| C30 | C24 | N19 | C17 | 0.2° | 0.8° |
| C30 | C24 | N19 | C23 | 179.8° | 179.5° |
| C30 | C24 | N19 | N21 | 179.9° | 179.5° |
| C30 | C24 | C23 | C33 | 0.5° | 0.8° |
| C30 | C24 | C23 | C22 | 180.0° | 179.3° |
| C24 | C30 | H7 | H8 | 120.4° | 120.3° |
| C24 | C30 | C31 | H9 | 78.3° | 165.4° |
| C24 | C30 | C31 | H10 | 162.1° | 74.5° |
| C31 | N32 | C56 | C58 | 0.9° | 0.1° |
| C31 | N32 | C56 | C33 | 179.0° | 179.7° |
| C31 | N32 | C56 | O73 | 179.7° | 180.0° |
| C31 | N32 | C33 | C23 | 51.7° | 44.0° |
| N32 | C31 | C30 | H7 | 78.0° | 74.4° |
| N32 | C31 | C30 | H8 | 161.7° | 165.2° |
| N32 | C31 | H9 | H10 | 119.4° | 120.2° |
| C31 | N32 | C33 | H11 | 68.2° | 75.4° |
| C31 | N32 | C33 | H12 | 171.6° | 163.4° |
| C60 | C58 | C56 | H22 | 120.8° | 120.0° |
| C60 | C58 | C56 | H23 | 120.7° | 120.1° |
| C60 | C58 | C56 | N32 | 104.2° | 180.0° |
| C60 | C58 | C56 | O73 | 75.3° | 0.0° |
| C60 | C58 | H22 | H23 | 117.7° | 120.0° |
| C58 | C60 | C62 | H27 | 59.9° | 58.7° |
| C58 | C60 | C62 | H28 | 59.5° | 61.4° |
| C58 | C60 | C66 | H33 | 59.3° | 61.5° |
| C58 | C60 | C66 | H34 | 60.0° | 58.6° |
| C17 | N19 | C24 | N21 | 179.9° | 179.7° |
| C17 | N19 | C24 | C23 | 180.0° | 179.7° |
| C17 | N19 | N21 | C22 | 179.9° | 180.0° |
| N19 | C17 | C15 | H3 | 81.4° | 60.0° |
| N19 | C17 | C15 | H4 | 160.2° | 60.0° |
| N19 | C17 | H5 | H6 | 118.4° | 120.0° |
| C58 | C56 | N32 | O73 | 179.5° | 179.9° |
| C58 | C56 | N32 | C33 | 179.9° | 179.8° |
| C56 | C58 | H22 | H23 | 117.7° | 120.0° |
| C56 | C58 | C60 | H26 | 63.6° | 55.0° |
| N19 | C24 | C23 | C33 | 179.8° | 179.7° |
| N19 | C24 | C23 | C22 | 0.3° | 0.3° |
| C24 | N19 | N21 | C22 | 0.0° | 0.3° |
| C24 | N19 | C17 | H5 | 40.4° | 29.9° |
| C24 | N19 | C17 | H6 | 159.4° | 150.0° |
| N19 | C24 | C30 | H7 | 71.7° | 77.9° |
| N19 | C24 | C30 | H8 | 48.6° | 42.4° |
| C23 | C24 | N19 | N21 | 0.1° | 0.0° |
| C24 | C23 | C33 | N32 | 18.5° | 11.2° |
| C24 | C23 | C33 | C22 | 179.4° | 180.0° |
| C24 | C23 | C22 | N21 | 0.3° | 0.5° |
| C24 | C23 | C22 | C39 | 179.7° | 179.8° |
| C23 | C24 | C30 | H7 | 108.5° | 101.6° |
| C23 | C24 | C30 | H8 | 131.1° | 138.1° |
| C24 | C23 | C33 | H11 | 101.4° | 108.1° |
| C24 | C23 | C33 | H12 | 138.4° | 130.8° |
| N19 | N21 | C22 | C23 | 0.2° | 0.5° |
| N19 | N21 | C22 | C39 | 179.7° | 179.8° |
| N21 | N19 | C17 | H5 | 139.5° | 149.7° |
| N21 | N19 | C17 | H6 | 20.5° | 29.7° |
| C56 | N32 | C33 | C23 | 127.5° | 135.8° |
| C56 | N32 | C31 | H9 | 127.3° | 4.4° |
| C56 | N32 | C31 | H10 | 7.7° | 124.6° |
| C56 | N32 | C33 | H11 | 112.6° | 104.8° |
| C56 | N32 | C33 | H12 | 7.6° | 16.3° |
| N32 | C56 | C58 | H22 | 135.0° | 60.0° |
| N32 | C56 | C58 | H23 | 16.5° | 59.9° |
| C33 | N32 | C56 | O73 | 0.6° | 0.3° |
| N32 | C33 | C23 | H11 | 119.9° | 119.3° |
| N32 | C33 | C23 | H12 | 119.9° | 119.6° |
| N32 | C33 | C23 | C22 | 160.9° | 168.9° |
| C33 | N32 | C31 | H9 | 53.6° | 175.9° |
| C33 | N32 | C31 | H10 | 173.2° | 55.7° |
| N32 | C33 | H11 | H12 | 120.3° | 121.2° |
| O73 | C56 | C58 | H22 | 45.5° | 120.0° |
| O73 | C56 | C58 | H23 | 164.0° | 120.0° |
| C33 | C23 | C22 | N21 | 179.7° | 179.5° |
| C33 | C23 | C22 | C39 | 0.8° | 0.2° |
| C23 | C33 | H11 | H12 | 120.3° | 121.1° |
| C23 | C22 | N21 | C39 | 179.5° | 179.7° |
| C23 | C22 | C39 | C45 | 28.3° | 145.0° |
| C23 | C22 | C39 | C41 | 151.9° | 34.7° |
| C22 | C23 | C33 | H11 | 79.2° | 71.8° |
| C22 | C23 | C33 | H12 | 40.9° | 49.3° |
| N21 | C22 | C39 | C45 | 151.1° | 34.7° |
| N21 | C22 | C39 | C41 | 28.7° | 145.6° |
| C22 | C39 | C45 | C41 | 179.8° | 179.8° |
| C22 | C39 | C45 | C44 | 180.0° | 179.7° |
| C22 | C39 | C41 | C42 | 179.9° | 180.0° |
| C22 | C39 | C41 | H19 | 0.1° | 0.0° |
| C22 | C39 | C45 | H21 | 0.0° | 0.1° |
| C39 | C45 | C44 | H21 | 180.0° | 179.7° |
| C45 | C39 | C41 | C42 | 0.0° | 0.3° |
| C39 | C45 | C44 | I54 | 179.7° | 179.7° |
| C39 | C45 | C44 | C43 | 0.2° | 0.6° |
| C45 | C39 | C41 | H19 | 179.9° | 179.7° |
| C41 | C39 | C45 | C44 | 0.1° | 0.5° |
| C39 | C41 | C42 | H19 | 180.0° | 180.0° |
| C39 | C41 | C42 | C43 | 0.0° | 0.0° |
| C39 | C41 | C42 | H20 | 180.0° | 180.0° |
| C41 | C39 | C45 | H21 | 179.8° | 179.8° |
| C45 | C44 | I54 | C43 | 179.5° | 179.8° |
| C45 | C44 | C43 | C42 | 0.2° | 0.3° |
| C45 | C44 | C43 | CL2 | 179.9° | 179.7° |
| C41 | C42 | C43 | C44 | 0.1° | 0.1° |
| C41 | C42 | C43 | H20 | 180.0° | 180.0° |
| C41 | C42 | C43 | CL2 | 179.9° | 180.0° |
| I54 | C44 | C43 | C42 | 179.7° | 179.9° |
| I54 | C44 | C43 | CL2 | 0.5° | 0.0° |
| I54 | C44 | C45 | H21 | 0.2° | 0.0° |
| C44 | C43 | C42 | CL2 | 179.8° | 179.9° |
| C44 | C43 | C42 | H20 | 179.9° | 180.0° |
| C43 | C44 | C45 | H21 | 179.7° | 179.8° |
| C43 | C42 | C41 | H19 | 180.0° | 180.0° |
| CL2 | C43 | C42 | H20 | 0.1° | 0.0° |
| H1 | C13 | C15 | H3 | 179.6° | 60.0° |
| H1 | C13 | C15 | H4 | 62.0° | 180.0° |
| H2 | C13 | C15 | H3 | 60.9° | 180.0° |
| H2 | C13 | C15 | H4 | 179.3° | 60.0° |
| H3 | C15 | C17 | H5 | 39.2° | 179.9° |
| H3 | C15 | C17 | H6 | 158.1° | 60.0° |
| H4 | C15 | C17 | H5 | 79.2° | 59.9° |
| H4 | C15 | C17 | H6 | 39.7° | 180.0° |
| H7 | C30 | C31 | H9 | 161.8° | 45.5° |
| H7 | C30 | C31 | H10 | 42.2° | 165.7° |
| H8 | C30 | C31 | H9 | 41.5° | 74.8° |
| H8 | C30 | C31 | H10 | 78.1° | 45.3° |
| H13 | C1 | C6 | H24 | 57.3° | 176.9° |
| H13 | C1 | C6 | H25 | 176.7° | 56.9° |
| H14 | C1 | C6 | H24 | 62.5° | 56.8° |
| H14 | C1 | C6 | H25 | 56.8° | 63.2° |
| H15 | C3 | C4 | H17 | 59.4° | 63.3° |
| H15 | C3 | C4 | H18 | 60.0° | 56.9° |
| H16 | C3 | C4 | H17 | 179.3° | 56.8° |
| H16 | C3 | C4 | H18 | 59.9° | 176.9° |
| H19 | C41 | C42 | H20 | 0.0° | 0.0° |
| H22 | C58 | C60 | H26 | 57.1° | 65.0° |
| H23 | C58 | C60 | H26 | 175.7° | 175.1° |
| H26 | C60 | C62 | H27 | 178.4° | 61.3° |
| H26 | C60 | C62 | H28 | 59.0° | 178.6° |
| H26 | C60 | C66 | H33 | 59.4° | 178.6° |
| H26 | C60 | C66 | H34 | 178.7° | 61.3° |
| H27 | C62 | C63 | H29 | 54.4° | 54.9° |
| H27 | C62 | C63 | H30 | 173.8° | 65.5° |
| H28 | C62 | C63 | H29 | 64.9° | 174.9° |
| H28 | C62 | C63 | H30 | 54.5° | 54.6° |
| H31 | C65 | C66 | H33 | 55.3° | 54.5° |
| H31 | C65 | C66 | H34 | 174.5° | 65.7° |
| H32 | C65 | C66 | H33 | 64.2° | 174.7° |
| H32 | C65 | C66 | H34 | 55.1° | 54.6° |
| H35 | C83 | H36 | H37 | 120.0° | 120.1° |
| H38 | C85 | H39 | H40 | 120.0° | 120.0° |
| H41 | C87 | H42 | H43 | 120.0° | 120.0° |
