HU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C27 | sing | 1.53Å | 1.55Å | |
| C30 | C33 | sing | 1.53Å | 1.55Å | |
| C27 | C24 | sing | 1.53Å | 1.55Å | |
| CL1 | C45 | sing | 1.74Å | 1.74Å | |
| C33 | C36 | sing | 1.53Å | 1.55Å | |
| C45 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C36 | C22 | sing | 1.53Å | 1.56Å | |
| C43 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C13 | sing | 1.51Å | 1.52Å | |
| C46 | C39 | doub | 1.39Å | 1.42Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.41Å | Aromatic |
| C65 | C56 | sing | 1.53Å | 1.55Å | |
| C39 | C40 | sing | 1.39Å | 1.40Å | Aromatic |
| C39 | N12 | sing | 1.40Å | 1.40Å | |
| C13 | N12 | sing | 1.36Å | 1.34Å | Aromatic |
| C13 | N14 | doub | 1.30Å | 1.27Å | Aromatic |
| C40 | C49 | sing | 1.51Å | 1.52Å | |
| N12 | C11 | sing | 1.38Å | 1.34Å | Aromatic |
| C57 | C56 | sing | 1.53Å | 1.55Å | |
| N14 | C15 | sing | 1.35Å | 1.43Å | Aromatic |
| C56 | N54 | sing | 1.46Å | 1.46Å | |
| C56 | C61 | sing | 1.53Å | 1.56Å | |
| N54 | C52 | sing | 1.35Å | 1.34Å | |
| C52 | O53 | doub | 1.21Å | 1.23Å | |
| C52 | C49 | sing | 1.51Å | 1.49Å | |
| C11 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C6 | sing | 1.48Å | 1.51Å | |
| C15 | C16 | sing | 1.48Å | 1.47Å | |
| C4 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| CL2 | C3 | sing | 1.74Å | 1.73Å | |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N21 | doub | 1.32Å | 1.29Å | Aromatic |
| C16 | N17 | sing | 1.36Å | 1.30Å | Aromatic |
| N21 | N20 | sing | 1.28Å | 1.41Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| N17 | N19 | sing | 1.41Å | 1.34Å | Aromatic |
| N20 | N19 | doub | 1.29Å | 1.33Å | Aromatic |
| C2 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.34Å | |
| C41 | H1 | sing | 1.08Å | 1.08Å | |
| C43 | H2 | sing | 1.08Å | 1.08Å | |
| C46 | H3 | sing | 1.08Å | 1.08Å | |
| C49 | H4 | sing | 1.09Å | 1.10Å | |
| C49 | H5 | sing | 1.09Å | 1.10Å | |
| C57 | H6 | sing | 1.09Å | 1.10Å | |
| C57 | H7 | sing | 1.09Å | 1.10Å | |
| C57 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| N17 | H19 | sing | 0.97Å | 1.00Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| N54 | H24 | sing | 0.97Å | 1.00Å | |
| C61 | H25 | sing | 1.09Å | 1.10Å | |
| C61 | H26 | sing | 1.09Å | 1.10Å | |
| C61 | H27 | sing | 1.09Å | 1.10Å | |
| C65 | H28 | sing | 1.09Å | 1.10Å | |
| C65 | H29 | sing | 1.09Å | 1.10Å | |
| C65 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C30 | C33 | 110.8° | 109.5° |
| C30 | C27 | C24 | 110.5° | 109.5° |
| C30 | C27 | H12 | 109.2° | 109.5° |
| C30 | C27 | H13 | 109.2° | 109.5° |
| C27 | C30 | H14 | 109.1° | 109.5° |
| C27 | C30 | H15 | 109.1° | 109.5° |
| C30 | C33 | C36 | 110.8° | 109.5° |
| C33 | C30 | H14 | 109.1° | 109.4° |
| C33 | C30 | H15 | 109.2° | 109.4° |
| C30 | C33 | H20 | 109.1° | 109.4° |
| C30 | C33 | H21 | 109.1° | 109.5° |
| C27 | C24 | C22 | 109.4° | 109.5° |
| C27 | C24 | H10 | 109.5° | 109.5° |
| C27 | C24 | H11 | 109.5° | 109.5° |
| C24 | C27 | H12 | 109.2° | 109.4° |
| C24 | C27 | H13 | 109.2° | 109.5° |
| CL1 | C45 | C43 | 119.4° | 120.0° |
| CL1 | C45 | C46 | 119.9° | 120.0° |
| C33 | C36 | C22 | 109.4° | 109.5° |
| C36 | C33 | H20 | 109.1° | 109.5° |
| C36 | C33 | H21 | 109.2° | 109.5° |
| C33 | C36 | H22 | 109.5° | 109.5° |
| C33 | C36 | H23 | 109.5° | 109.5° |
| C43 | C45 | C46 | 120.7° | 120.0° |
| C45 | C43 | C41 | 120.0° | 120.1° |
| C45 | C43 | H2 | 120.0° | 120.0° |
| C45 | C46 | C39 | 119.5° | 119.9° |
| C45 | C46 | H3 | 120.3° | 120.1° |
| C24 | C22 | C36 | 110.5° | 109.4° |
| C24 | C22 | C13 | 111.7° | 109.5° |
| C24 | C22 | H9 | 107.0° | 109.5° |
| C22 | C24 | H10 | 109.5° | 109.4° |
| C22 | C24 | H11 | 109.5° | 109.5° |
| C36 | C22 | C13 | 112.8° | 109.5° |
| C36 | C22 | H9 | 107.0° | 109.5° |
| C22 | C36 | H22 | 109.5° | 109.5° |
| C22 | C36 | H23 | 109.5° | 109.5° |
| C43 | C41 | C40 | 120.2° | 120.1° |
| C43 | C41 | H1 | 119.9° | 119.9° |
| C41 | C43 | H2 | 120.0° | 119.9° |
| C22 | C13 | N12 | 124.3° | 125.3° |
| C22 | C13 | N14 | 124.7° | 125.3° |
| C13 | C22 | H9 | 107.4° | 109.4° |
| C46 | C39 | C40 | 119.9° | 119.9° |
| C46 | C39 | N12 | 119.3° | 120.0° |
| C39 | C46 | H3 | 120.3° | 120.0° |
| C41 | C40 | C39 | 119.8° | 120.0° |
| C41 | C40 | C49 | 120.4° | 120.0° |
| C40 | C41 | H1 | 119.9° | 120.0° |
| C65 | C56 | C57 | 108.9° | 109.5° |
| C65 | C56 | N54 | 113.3° | 109.5° |
| C65 | C56 | C61 | 111.5° | 109.5° |
| C56 | C65 | H28 | 109.5° | 109.5° |
| C56 | C65 | H29 | 109.5° | 109.5° |
| C56 | C65 | H30 | 109.5° | 109.4° |
| C40 | C39 | N12 | 120.9° | 120.1° |
| C39 | C40 | C49 | 119.8° | 120.0° |
| C39 | N12 | C13 | 126.6° | 126.3° |
| C39 | N12 | C11 | 126.1° | 126.4° |
| N12 | C13 | N14 | 111.0° | 109.5° |
| C13 | N12 | C11 | 107.3° | 107.3° |
| C13 | N14 | C15 | 108.5° | 109.6° |
| C40 | C49 | C52 | 116.1° | 109.5° |
| C40 | C49 | H4 | 107.8° | 109.5° |
| C40 | C49 | H5 | 107.8° | 109.5° |
| N12 | C11 | C15 | 109.3° | 106.2° |
| N12 | C11 | C6 | 122.8° | 127.0° |
| C57 | C56 | N54 | 106.8° | 109.5° |
| C57 | C56 | C61 | 108.2° | 109.5° |
| C56 | C57 | H6 | 109.5° | 109.5° |
| C56 | C57 | H7 | 109.5° | 109.5° |
| C56 | C57 | H8 | 109.5° | 109.5° |
| N14 | C15 | C11 | 103.9° | 107.5° |
| N14 | C15 | C16 | 122.2° | 126.2° |
| N54 | C56 | C61 | 107.8° | 109.5° |
| C56 | N54 | C52 | 124.9° | 120.0° |
| C56 | N54 | H24 | 117.5° | 120.0° |
| C56 | C61 | H25 | 109.5° | 109.5° |
| C56 | C61 | H26 | 109.5° | 109.5° |
| C56 | C61 | H27 | 109.4° | 109.4° |
| N54 | C52 | O53 | 126.3° | 120.0° |
| N54 | C52 | C49 | 112.6° | 120.1° |
| C52 | N54 | H24 | 117.5° | 120.0° |
| O53 | C52 | C49 | 121.1° | 120.0° |
| C52 | C49 | H4 | 107.8° | 109.5° |
| C52 | C49 | H5 | 107.8° | 109.5° |
| C15 | C11 | C6 | 127.8° | 126.8° |
| C11 | C15 | C16 | 133.7° | 126.3° |
| C11 | C6 | C4 | 121.8° | 120.1° |
| C11 | C6 | C7 | 118.8° | 120.1° |
| C15 | C16 | N21 | 122.2° | 126.5° |
| C15 | C16 | N17 | 123.0° | 126.6° |
| C6 | C4 | C3 | 119.8° | 119.9° |
| C4 | C6 | C7 | 119.3° | 119.8° |
| C6 | C4 | H16 | 120.1° | 120.1° |
| C4 | C3 | CL2 | 120.8° | 120.0° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C3 | C4 | H16 | 120.1° | 120.0° |
| CL2 | C3 | C2 | 118.9° | 120.0° |
| C6 | C7 | C9 | 121.0° | 119.9° |
| C6 | C7 | H17 | 119.5° | 120.1° |
| C3 | C2 | C9 | 120.5° | 120.3° |
| C3 | C2 | F1 | 118.8° | 119.8° |
| N21 | C16 | N17 | 114.4° | 106.9° |
| C16 | N21 | N20 | 103.4° | 110.5° |
| C16 | N17 | N19 | 105.9° | 105.1° |
| C16 | N17 | H19 | 127.1° | 127.4° |
| N21 | N20 | N19 | 107.5° | 110.6° |
| C7 | C9 | C2 | 118.9° | 120.1° |
| C9 | C7 | H17 | 119.5° | 120.0° |
| C7 | C9 | H18 | 120.6° | 120.0° |
| N17 | N19 | N20 | 108.6° | 106.9° |
| N19 | N17 | H19 | 127.0° | 127.5° |
| C9 | C2 | F1 | 120.6° | 119.9° |
| C2 | C9 | H18 | 120.6° | 119.9° |
| H4 | C49 | H5 | 109.5° | 109.4° |
| H6 | C57 | H7 | 109.5° | 109.4° |
| H6 | C57 | H8 | 109.5° | 109.5° |
| H7 | C57 | H8 | 109.5° | 109.4° |
| H10 | C24 | H11 | 109.5° | 109.4° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H20 | C33 | H21 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H25 | C61 | H26 | 109.5° | 109.5° |
| H25 | C61 | H27 | 109.5° | 109.5° |
| H26 | C61 | H27 | 109.5° | 109.5° |
| H28 | C65 | H29 | 109.5° | 109.5° |
| H28 | C65 | H30 | 109.5° | 109.4° |
| H29 | C65 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C30 | C33 | H14 | 120.2° | 120.0° |
| C27 | C30 | C33 | H15 | 120.2° | 120.0° |
| C30 | C27 | C24 | H12 | 120.2° | 120.0° |
| C30 | C27 | C24 | H13 | 120.2° | 120.0° |
| C27 | C30 | C33 | C36 | 57.2° | 60.0° |
| C30 | C27 | C24 | C22 | 58.1° | 60.0° |
| C30 | C27 | C24 | H10 | 61.9° | 180.0° |
| C30 | C27 | C24 | H11 | 178.1° | 60.0° |
| C30 | C27 | H12 | H13 | 119.5° | 120.0° |
| C27 | C30 | H14 | H15 | 119.4° | 120.1° |
| C27 | C30 | C33 | H20 | 63.0° | 60.0° |
| C27 | C30 | C33 | H21 | 177.4° | 179.9° |
| C33 | C30 | C27 | C24 | 57.4° | 60.0° |
| C30 | C33 | C36 | H20 | 120.2° | 120.0° |
| C30 | C33 | C36 | H21 | 120.2° | 120.1° |
| C30 | C33 | C36 | C22 | 57.5° | 60.0° |
| C33 | C30 | C27 | H12 | 177.5° | 60.0° |
| C33 | C30 | C27 | H13 | 62.8° | 180.0° |
| C33 | C30 | H14 | H15 | 119.4° | 119.9° |
| C30 | C33 | H20 | H21 | 119.3° | 120.0° |
| C30 | C33 | C36 | H22 | 177.5° | 60.1° |
| C30 | C33 | C36 | H23 | 62.5° | 180.0° |
| C27 | C24 | C22 | H10 | 120.0° | 120.0° |
| C27 | C24 | C22 | H11 | 120.0° | 120.1° |
| C27 | C24 | C22 | C36 | 59.2° | 60.0° |
| C27 | C24 | C22 | C13 | 174.3° | 180.0° |
| C27 | C24 | C22 | H9 | 57.0° | 60.0° |
| C27 | C24 | H10 | H11 | 120.0° | 120.0° |
| C24 | C27 | H12 | H13 | 119.5° | 120.0° |
| C24 | C27 | C30 | H14 | 177.6° | 180.0° |
| C24 | C27 | C30 | H15 | 62.8° | 60.0° |
| CL1 | C45 | C43 | C46 | 177.6° | 180.0° |
| CL1 | C45 | C43 | C41 | 177.3° | 180.0° |
| CL1 | C45 | C46 | C39 | 177.4° | 180.0° |
| CL1 | C45 | C43 | H2 | 2.6° | 0.0° |
| CL1 | C45 | C46 | H3 | 2.7° | 0.0° |
| C33 | C36 | C22 | C24 | 58.9° | 60.0° |
| C33 | C36 | C22 | H22 | 120.0° | 120.0° |
| C33 | C36 | C22 | H23 | 120.0° | 120.0° |
| C33 | C36 | C22 | C13 | 175.3° | 180.0° |
| C33 | C36 | C22 | H9 | 57.4° | 60.0° |
| C36 | C33 | C30 | H14 | 177.4° | 180.0° |
| C36 | C33 | C30 | H15 | 63.0° | 60.0° |
| C36 | C33 | H20 | H21 | 119.4° | 120.0° |
| C33 | C36 | H22 | H23 | 120.0° | 120.0° |
| C45 | C43 | C41 | H2 | 180.0° | 179.9° |
| C43 | C45 | C46 | C39 | 0.2° | 0.0° |
| C45 | C43 | C41 | C40 | 0.5° | 0.0° |
| C45 | C43 | C41 | H1 | 179.5° | 179.7° |
| C43 | C45 | C46 | H3 | 179.8° | 179.9° |
| C46 | C45 | C43 | C41 | 0.2° | 0.0° |
| C45 | C46 | C39 | H3 | 180.0° | 179.9° |
| C45 | C46 | C39 | C40 | 0.6° | 0.1° |
| C45 | C46 | C39 | N12 | 180.0° | 180.0° |
| C46 | C45 | C43 | H2 | 179.8° | 180.0° |
| C24 | C22 | C36 | C13 | 125.8° | 120.0° |
| C24 | C22 | C36 | H9 | 116.2° | 120.0° |
| C24 | C22 | C13 | H9 | 117.0° | 120.0° |
| C24 | C22 | C13 | N12 | 169.9° | 128.8° |
| C24 | C22 | C13 | N14 | 9.9° | 51.5° |
| C22 | C24 | H10 | H11 | 120.1° | 120.0° |
| C22 | C24 | C27 | H12 | 178.2° | 60.0° |
| C22 | C24 | C27 | H13 | 62.1° | 180.0° |
| C24 | C22 | C36 | H22 | 178.9° | 60.0° |
| C24 | C22 | C36 | H23 | 61.1° | 180.0° |
| C36 | C22 | C13 | H9 | 117.7° | 120.0° |
| C36 | C22 | C13 | N12 | 64.9° | 111.2° |
| C36 | C22 | C13 | N14 | 115.3° | 68.4° |
| C36 | C22 | C24 | H10 | 60.7° | 180.0° |
| C36 | C22 | C24 | H11 | 179.2° | 60.0° |
| C22 | C36 | C33 | H20 | 62.7° | 60.0° |
| C22 | C36 | C33 | H21 | 177.7° | 179.9° |
| C22 | C36 | H22 | H23 | 120.0° | 120.0° |
| C43 | C41 | C40 | H1 | 180.0° | 179.7° |
| C43 | C41 | C40 | C39 | 1.4° | 0.0° |
| C43 | C41 | C40 | C49 | 178.5° | 179.7° |
| C22 | C13 | N12 | C39 | 0.9° | 0.4° |
| C22 | C13 | N12 | N14 | 179.8° | 179.7° |
| C22 | C13 | N12 | C11 | 178.5° | 180.0° |
| C22 | C13 | N14 | C15 | 178.9° | 179.9° |
| C13 | C22 | C24 | H10 | 65.7° | 60.0° |
| C13 | C22 | C24 | H11 | 54.3° | 60.0° |
| C13 | C22 | C36 | H22 | 55.3° | 60.0° |
| C13 | C22 | C36 | H23 | 64.7° | 60.0° |
| C46 | C39 | C40 | C41 | 1.4° | 0.1° |
| C46 | C39 | C40 | N12 | 179.4° | 179.9° |
| C46 | C39 | N12 | C13 | 80.1° | 85.4° |
| C46 | C39 | C40 | C49 | 178.4° | 179.8° |
| C46 | C39 | N12 | C11 | 99.1° | 95.0° |
| C41 | C40 | C39 | C49 | 179.8° | 179.7° |
| C41 | C40 | C39 | N12 | 179.2° | 180.0° |
| C41 | C40 | C49 | C52 | 38.8° | 80.1° |
| C40 | C41 | C43 | H2 | 179.4° | 180.0° |
| C41 | C40 | C49 | H4 | 159.7° | 159.9° |
| C41 | C40 | C49 | H5 | 82.2° | 39.9° |
| C65 | C56 | C57 | N54 | 122.7° | 120.0° |
| C65 | C56 | C57 | C61 | 121.4° | 120.0° |
| C65 | C56 | N54 | C61 | 124.0° | 120.0° |
| C65 | C56 | N54 | C52 | 54.2° | 58.6° |
| C65 | C56 | C57 | H6 | 180.0° | 60.0° |
| C65 | C56 | C57 | H7 | 60.0° | 60.0° |
| C65 | C56 | C57 | H8 | 60.0° | 179.9° |
| C65 | C56 | N54 | H24 | 125.8° | 121.4° |
| C65 | C56 | C61 | H25 | 180.0° | 180.0° |
| C65 | C56 | C61 | H26 | 60.0° | 60.0° |
| C65 | C56 | C61 | H27 | 60.0° | 60.0° |
| C56 | C65 | H28 | H29 | 120.0° | 120.0° |
| C56 | C65 | H28 | H30 | 120.0° | 120.0° |
| C56 | C65 | H29 | H30 | 120.0° | 120.0° |
| C40 | C39 | N12 | C13 | 100.5° | 94.7° |
| C40 | C39 | N12 | C11 | 80.2° | 84.9° |
| C39 | C40 | C49 | C52 | 141.4° | 99.6° |
| C39 | C40 | C41 | H1 | 178.6° | 179.7° |
| C40 | C39 | C46 | H3 | 179.4° | 180.0° |
| C39 | C40 | C49 | H4 | 20.4° | 20.4° |
| C39 | C40 | C49 | H5 | 97.6° | 140.4° |
| C39 | N12 | C13 | C11 | 179.4° | 179.7° |
| C39 | N12 | C13 | N14 | 179.3° | 179.9° |
| N12 | C39 | C40 | C49 | 0.9° | 0.3° |
| C39 | N12 | C11 | C15 | 179.4° | 179.7° |
| C39 | N12 | C11 | C6 | 3.5° | 0.0° |
| N12 | C39 | C46 | H3 | 0.0° | 0.1° |
| N12 | C13 | N14 | C15 | 0.9° | 0.4° |
| C13 | N12 | C11 | C15 | 1.3° | 0.0° |
| C13 | N12 | C11 | C6 | 177.1° | 179.7° |
| N12 | C13 | C22 | H9 | 52.8° | 8.8° |
| N14 | C13 | N12 | C11 | 1.4° | 0.3° |
| C13 | N14 | C15 | C11 | 0.1° | 0.4° |
| C13 | N14 | C15 | C16 | 175.5° | 179.6° |
| N14 | C13 | C22 | H9 | 127.0° | 171.5° |
| C40 | C49 | C52 | N54 | 110.6° | 174.4° |
| C40 | C49 | C52 | O53 | 69.5° | 5.6° |
| C40 | C49 | C52 | H4 | 121.0° | 120.0° |
| C40 | C49 | C52 | H5 | 121.0° | 120.0° |
| C49 | C40 | C41 | H1 | 1.5° | 0.0° |
| C40 | C49 | H4 | H5 | 116.9° | 120.0° |
| N12 | C11 | C15 | N14 | 0.7° | 0.2° |
| N12 | C11 | C15 | C6 | 175.6° | 179.7° |
| N12 | C11 | C15 | C16 | 175.6° | 179.8° |
| N12 | C11 | C6 | C4 | 55.5° | 135.3° |
| N12 | C11 | C6 | C7 | 121.6° | 44.7° |
| C57 | C56 | N54 | C61 | 116.1° | 120.0° |
| C57 | C56 | N54 | C52 | 174.2° | 178.6° |
| C56 | C57 | H6 | H7 | 120.0° | 120.0° |
| C56 | C57 | H6 | H8 | 120.0° | 120.1° |
| C56 | C57 | H7 | H8 | 120.0° | 120.0° |
| C57 | C56 | N54 | H24 | 5.8° | 1.4° |
| C57 | C56 | C61 | H25 | 60.2° | 60.0° |
| C57 | C56 | C61 | H26 | 179.8° | 60.0° |
| C57 | C56 | C61 | H27 | 59.8° | 180.0° |
| C57 | C56 | C65 | H28 | 180.0° | 173.2° |
| C57 | C56 | C65 | H29 | 60.0° | 53.2° |
| C57 | C56 | C65 | H30 | 60.0° | 66.8° |
| N14 | C15 | C11 | C16 | 174.9° | 180.0° |
| N14 | C15 | C11 | C6 | 176.3° | 180.0° |
| N14 | C15 | C16 | N21 | 11.5° | 180.0° |
| N14 | C15 | C16 | N17 | 160.5° | 0.2° |
| C56 | N54 | C52 | H24 | 180.0° | 180.0° |
| C56 | N54 | C52 | O53 | 5.0° | 6.0° |
| C56 | N54 | C52 | C49 | 174.9° | 174.0° |
| N54 | C56 | C57 | H6 | 57.3° | 60.0° |
| N54 | C56 | C57 | H7 | 177.3° | 180.0° |
| N54 | C56 | C57 | H8 | 62.8° | 60.0° |
| N54 | C56 | C61 | H25 | 55.0° | 60.0° |
| N54 | C56 | C61 | H26 | 65.0° | 180.0° |
| N54 | C56 | C61 | H27 | 175.0° | 60.0° |
| N54 | C56 | C65 | H28 | 61.3° | 66.8° |
| N54 | C56 | C65 | H29 | 58.7° | 173.2° |
| N54 | C56 | C65 | H30 | 178.7° | 53.2° |
| C61 | C56 | N54 | C52 | 69.7° | 61.4° |
| C61 | C56 | C57 | H6 | 58.6° | 180.0° |
| C61 | C56 | C57 | H7 | 61.4° | 60.0° |
| C61 | C56 | C57 | H8 | 178.6° | 59.9° |
| C61 | C56 | N54 | H24 | 110.3° | 118.6° |
| C56 | C61 | H25 | H26 | 120.0° | 120.0° |
| C56 | C61 | H25 | H27 | 120.0° | 120.0° |
| C56 | C61 | H26 | H27 | 120.0° | 120.0° |
| C61 | C56 | C65 | H28 | 60.7° | 53.2° |
| C61 | C56 | C65 | H29 | 179.4° | 66.8° |
| C61 | C56 | C65 | H30 | 59.3° | 173.2° |
| N54 | C52 | O53 | C49 | 179.9° | 180.0° |
| N54 | C52 | C49 | H4 | 10.3° | 65.6° |
| N54 | C52 | C49 | H5 | 128.4° | 54.3° |
| O53 | C52 | C49 | H4 | 169.6° | 114.4° |
| O53 | C52 | C49 | H5 | 51.5° | 125.7° |
| O53 | C52 | N54 | H24 | 175.0° | 174.0° |
| C52 | C49 | H4 | H5 | 117.0° | 120.0° |
| C49 | C52 | N54 | H24 | 5.2° | 5.9° |
| C15 | C11 | C6 | C4 | 129.4° | 45.1° |
| C15 | C11 | C6 | C7 | 53.5° | 135.0° |
| C11 | C15 | C16 | N21 | 174.4° | 0.0° |
| C11 | C15 | C16 | N17 | 13.6° | 179.8° |
| C6 | C11 | C15 | C16 | 8.8° | 0.0° |
| C11 | C6 | C4 | C7 | 177.1° | 180.0° |
| C11 | C6 | C4 | C3 | 178.5° | 180.0° |
| C11 | C6 | C7 | C9 | 179.5° | 179.9° |
| C11 | C6 | C4 | H16 | 1.5° | 0.0° |
| C11 | C6 | C7 | H17 | 0.5° | 0.1° |
| C15 | C16 | N21 | N17 | 172.7° | 179.8° |
| C15 | C16 | N21 | N20 | 176.5° | 179.9° |
| C15 | C16 | N17 | N19 | 176.5° | 180.0° |
| C15 | C16 | N17 | H19 | 3.5° | 0.1° |
| C6 | C4 | C3 | H16 | 180.0° | 180.0° |
| C6 | C4 | C3 | CL2 | 179.1° | 180.0° |
| C6 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C6 | C7 | C9 | 2.3° | 0.0° |
| C4 | C6 | C7 | H17 | 177.7° | 179.9° |
| C4 | C3 | CL2 | C2 | 178.4° | 180.0° |
| C3 | C4 | C6 | C7 | 1.4° | 0.0° |
| C4 | C3 | C2 | C9 | 2.0° | 0.0° |
| C4 | C3 | C2 | F1 | 179.7° | 179.7° |
| CL2 | C3 | C2 | C9 | 179.6° | 180.0° |
| CL2 | C3 | C2 | F1 | 1.3° | 0.3° |
| CL2 | C3 | C4 | H16 | 0.9° | 0.0° |
| C6 | C7 | C9 | H17 | 180.0° | 180.0° |
| C6 | C7 | C9 | C2 | 1.0° | 0.0° |
| C7 | C6 | C4 | H16 | 178.6° | 180.0° |
| C6 | C7 | C9 | H18 | 179.0° | 179.7° |
| C3 | C2 | C9 | C7 | 1.1° | 0.0° |
| C3 | C2 | C9 | F1 | 178.2° | 179.8° |
| C2 | C3 | C4 | H16 | 179.3° | 180.0° |
| C3 | C2 | C9 | H18 | 178.8° | 179.7° |
| N21 | C16 | N17 | N19 | 3.8° | 0.2° |
| C16 | N21 | N20 | N19 | 2.3° | 0.3° |
| N21 | C16 | N17 | H19 | 176.1° | 179.9° |
| N17 | C16 | N21 | N20 | 3.8° | 0.3° |
| C16 | N17 | N19 | H19 | 180.0° | 180.0° |
| C16 | N17 | N19 | N20 | 2.1° | 0.0° |
| N21 | N20 | N19 | N17 | 0.1° | 0.2° |
| C7 | C9 | C2 | H18 | 180.0° | 179.7° |
| C7 | C9 | C2 | F1 | 179.4° | 179.7° |
| N20 | N19 | N17 | H19 | 177.9° | 179.9° |
| C2 | C9 | C7 | H17 | 178.9° | 179.9° |
| F1 | C2 | C9 | H18 | 0.6° | 0.0° |
| H1 | C41 | C43 | H2 | 0.6° | 0.3° |
| H6 | C57 | H7 | H8 | 120.0° | 119.9° |
| H9 | C22 | C24 | H10 | 177.0° | 60.0° |
| H9 | C22 | C24 | H11 | 63.0° | 179.9° |
| H9 | C22 | C36 | H22 | 62.7° | 179.9° |
| H9 | C22 | C36 | H23 | 177.3° | 60.0° |
| H10 | C24 | C27 | H12 | 58.3° | 60.0° |
| H10 | C24 | C27 | H13 | 177.9° | 60.0° |
| H11 | C24 | C27 | H12 | 61.8° | 180.0° |
| H11 | C24 | C27 | H13 | 57.9° | 60.0° |
| H12 | C27 | C30 | H14 | 62.3° | 60.0° |
| H12 | C27 | C30 | H15 | 57.3° | 179.9° |
| H13 | C27 | C30 | H14 | 57.4° | 60.0° |
| H13 | C27 | C30 | H15 | 177.0° | 60.0° |
| H14 | C30 | C33 | H20 | 57.1° | 60.0° |
| H14 | C30 | C33 | H21 | 62.4° | 59.9° |
| H15 | C30 | C33 | H20 | 176.8° | 180.0° |
| H15 | C30 | C33 | H21 | 57.2° | 60.1° |
| H17 | C7 | C9 | H18 | 1.0° | 0.2° |
| H20 | C33 | C36 | H22 | 57.3° | 180.0° |
| H20 | C33 | C36 | H23 | 177.3° | 60.0° |
| H21 | C33 | C36 | H22 | 62.3° | 60.0° |
| H21 | C33 | C36 | H23 | 57.7° | 60.0° |
| H25 | C61 | H26 | H27 | 120.0° | 120.0° |
| H28 | C65 | H29 | H30 | 120.0° | 120.0° |
