HUE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C81 | C78 | sing | 1.53Å | 1.56Å | |
| C81 | C84 | sing | 1.53Å | 1.56Å | |
| C30 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C78 | C75 | sing | 1.53Å | 1.56Å | |
| C75 | C73 | sing | 1.53Å | 1.56Å | |
| C26 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| N19 | C17 | doub | 1.30Å | 1.25Å | Aromatic |
| N19 | C20 | sing | 1.35Å | 1.43Å | Aromatic |
| C41 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C84 | C87 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N16 | sing | 1.35Å | 1.30Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.51Å | |
| C21 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C87 | C73 | sing | 1.53Å | 1.56Å | |
| C20 | C15 | doub | 1.39Å | 1.35Å | Aromatic |
| C11 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C63 | N66 | sing | 1.47Å | 1.49Å | |
| C63 | C60 | sing | 1.53Å | 1.56Å | |
| CL2 | C43 | sing | 1.74Å | 1.74Å | |
| C73 | N66 | sing | 1.47Å | 1.50Å | |
| C24 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C15 | sing | 1.38Å | 1.33Å | Aromatic |
| N16 | C32 | sing | 1.46Å | 1.48Å | |
| C15 | C9 | sing | 1.47Å | 1.48Å | |
| N66 | C67 | sing | 1.47Å | 1.48Å | |
| C38 | C32 | sing | 1.51Å | 1.54Å | |
| C38 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C32 | sing | 1.53Å | 1.56Å | |
| C60 | N59 | sing | 1.47Å | 1.49Å | |
| C2 | CL1 | sing | 1.74Å | 1.74Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.50Å | Aromatic |
| C10 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.35Å | Aromatic |
| C44 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C67 | C70 | sing | 1.53Å | 1.54Å | |
| N59 | C70 | sing | 1.47Å | 1.48Å | |
| N59 | C56 | sing | 1.47Å | 1.49Å | |
| C5 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.38Å | 1.34Å | Aromatic |
| C8 | N6 | sing | 1.38Å | 1.31Å | Aromatic |
| C8 | C49 | sing | 1.46Å | 1.46Å | |
| C56 | C53 | sing | 1.53Å | 1.55Å | |
| N51 | C49 | sing | 1.35Å | 1.35Å | |
| N51 | C53 | sing | 1.47Å | 1.46Å | |
| C49 | O50 | doub | 1.22Å | 1.23Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C41 | H2 | sing | 1.08Å | 1.08Å | |
| C44 | H3 | sing | 1.08Å | 1.08Å | |
| C46 | H4 | sing | 1.08Å | 1.08Å | |
| C53 | H5 | sing | 1.09Å | 1.10Å | |
| C53 | H6 | sing | 1.09Å | 1.10Å | |
| C56 | H7 | sing | 1.09Å | 1.10Å | |
| C56 | H8 | sing | 1.09Å | 1.10Å | |
| C60 | H9 | sing | 1.09Å | 1.10Å | |
| C60 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.08Å | 1.08Å | |
| N51 | H25 | sing | 0.97Å | 1.00Å | |
| C63 | H27 | sing | 1.09Å | 1.10Å | |
| C63 | H28 | sing | 1.09Å | 1.10Å | |
| C67 | H30 | sing | 1.09Å | 1.10Å | |
| C67 | H31 | sing | 1.09Å | 1.10Å | |
| C70 | H32 | sing | 1.09Å | 1.10Å | |
| C70 | H33 | sing | 1.09Å | 1.10Å | |
| C73 | H34 | sing | 1.09Å | 1.10Å | |
| C75 | H35 | sing | 1.09Å | 1.10Å | |
| C75 | H36 | sing | 1.09Å | 1.10Å | |
| C78 | H37 | sing | 1.09Å | 1.10Å | |
| C78 | H38 | sing | 1.09Å | 1.10Å | |
| C81 | H39 | sing | 1.09Å | 1.10Å | |
| C81 | H40 | sing | 1.09Å | 1.10Å | |
| C84 | H41 | sing | 1.09Å | 1.10Å | |
| C84 | H42 | sing | 1.09Å | 1.10Å | |
| C87 | H43 | sing | 1.09Å | 1.10Å | |
| C87 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C28 | C26 | 119.8° | 120.1° |
| C28 | C30 | C21 | 120.1° | 119.9° |
| C30 | C28 | H17 | 120.1° | 119.9° |
| C28 | C30 | H18 | 119.9° | 120.1° |
| C28 | C26 | C24 | 120.8° | 120.2° |
| C28 | C26 | H16 | 119.6° | 119.9° |
| C26 | C28 | H17 | 120.1° | 119.9° |
| C78 | C81 | C84 | 113.6° | 109.5° |
| C81 | C78 | C75 | 112.5° | 109.5° |
| C81 | C78 | H37 | 108.7° | 109.5° |
| C81 | C78 | H38 | 108.7° | 109.5° |
| C78 | C81 | H39 | 108.4° | 109.4° |
| C78 | C81 | H40 | 108.4° | 109.4° |
| C81 | C84 | C87 | 112.2° | 109.5° |
| C84 | C81 | H39 | 108.5° | 109.5° |
| C84 | C81 | H40 | 108.5° | 109.5° |
| C81 | C84 | H41 | 108.8° | 109.4° |
| C81 | C84 | H42 | 108.8° | 109.5° |
| C30 | C21 | C20 | 117.6° | 120.1° |
| C30 | C21 | C22 | 119.9° | 119.7° |
| C21 | C30 | H18 | 119.9° | 120.1° |
| C78 | C75 | C73 | 110.5° | 109.5° |
| C78 | C75 | H35 | 109.2° | 109.5° |
| C78 | C75 | H36 | 109.2° | 109.4° |
| C75 | C78 | H37 | 108.7° | 109.4° |
| C75 | C78 | H38 | 108.7° | 109.5° |
| C75 | C73 | C87 | 108.4° | 109.5° |
| C75 | C73 | N66 | 111.9° | 109.5° |
| C75 | C73 | H34 | 106.0° | 109.5° |
| C73 | C75 | H35 | 109.2° | 109.5° |
| C73 | C75 | H36 | 109.2° | 109.5° |
| C26 | C24 | C22 | 119.4° | 120.2° |
| C26 | C24 | H15 | 120.3° | 119.9° |
| C24 | C26 | H16 | 119.6° | 119.9° |
| C17 | N19 | C20 | 109.9° | 109.6° |
| N19 | C17 | N16 | 110.0° | 109.7° |
| N19 | C17 | H13 | 125.0° | 125.2° |
| N19 | C20 | C21 | 123.4° | 126.3° |
| N19 | C20 | C15 | 102.3° | 107.3° |
| C39 | C41 | C43 | 119.3° | 120.0° |
| C41 | C39 | C38 | 120.3° | 120.0° |
| C39 | C41 | H2 | 120.4° | 120.1° |
| C41 | C39 | H24 | 119.8° | 119.9° |
| C41 | C43 | CL2 | 119.9° | 120.1° |
| C41 | C43 | C44 | 120.9° | 120.0° |
| C43 | C41 | H2 | 120.3° | 120.0° |
| C84 | C87 | C73 | 108.5° | 109.5° |
| C87 | C84 | H41 | 108.8° | 109.5° |
| C87 | C84 | H42 | 108.8° | 109.5° |
| C84 | C87 | H43 | 109.7° | 109.4° |
| C84 | C87 | H44 | 109.7° | 109.5° |
| C39 | C38 | C32 | 122.6° | 120.0° |
| C39 | C38 | C46 | 119.9° | 120.1° |
| C38 | C39 | H24 | 119.9° | 120.0° |
| C17 | N16 | C15 | 109.1° | 107.3° |
| C17 | N16 | C32 | 124.3° | 126.4° |
| N16 | C17 | H13 | 125.0° | 125.2° |
| C20 | C21 | C22 | 122.5° | 120.2° |
| C21 | C20 | C15 | 134.2° | 126.4° |
| C21 | C22 | C24 | 120.0° | 119.8° |
| C21 | C22 | H14 | 120.0° | 120.1° |
| C87 | C73 | N66 | 117.1° | 109.5° |
| C87 | C73 | H34 | 106.0° | 109.5° |
| C73 | C87 | H43 | 109.7° | 109.5° |
| C73 | C87 | H44 | 109.7° | 109.5° |
| C20 | C15 | N16 | 108.7° | 106.1° |
| C20 | C15 | C9 | 128.6° | 127.0° |
| C13 | C11 | C10 | 116.9° | 119.8° |
| C11 | C13 | C2 | 120.3° | 120.5° |
| C13 | C11 | H11 | 121.6° | 120.1° |
| C11 | C13 | H12 | 119.8° | 119.8° |
| C11 | C10 | C9 | 134.9° | 133.5° |
| C11 | C10 | C5 | 122.4° | 120.0° |
| C10 | C11 | H11 | 121.6° | 120.1° |
| C13 | C2 | CL1 | 119.9° | 119.7° |
| C13 | C2 | C3 | 122.5° | 120.6° |
| C2 | C13 | H12 | 119.9° | 119.7° |
| N66 | C63 | C60 | 112.3° | 109.4° |
| C63 | N66 | C73 | 122.7° | 111.0° |
| C63 | N66 | C67 | 112.3° | 110.9° |
| N66 | C63 | H27 | 108.8° | 109.5° |
| N66 | C63 | H28 | 108.8° | 109.5° |
| C63 | C60 | N59 | 113.0° | 109.4° |
| C63 | C60 | H9 | 108.6° | 109.5° |
| C63 | C60 | H10 | 108.6° | 109.4° |
| C60 | C63 | H27 | 108.8° | 109.5° |
| C60 | C63 | H28 | 108.7° | 109.5° |
| CL2 | C43 | C44 | 119.1° | 120.0° |
| C73 | N66 | C67 | 108.8° | 111.0° |
| N66 | C73 | H34 | 106.7° | 109.5° |
| C24 | C22 | H14 | 120.0° | 120.1° |
| C22 | C24 | H15 | 120.3° | 119.9° |
| C43 | C44 | C46 | 119.6° | 120.0° |
| C43 | C44 | H3 | 120.2° | 120.0° |
| C15 | N16 | C32 | 126.6° | 126.3° |
| N16 | C15 | C9 | 122.7° | 126.9° |
| N16 | C32 | C38 | 106.2° | 109.5° |
| N16 | C32 | C34 | 113.6° | 109.4° |
| N16 | C32 | H20 | 107.3° | 109.5° |
| C15 | C9 | C10 | 121.5° | 126.8° |
| C15 | C9 | C8 | 132.5° | 126.8° |
| N66 | C67 | C70 | 110.5° | 109.4° |
| N66 | C67 | H30 | 109.2° | 109.4° |
| N66 | C67 | H31 | 109.2° | 109.4° |
| C32 | C38 | C46 | 117.5° | 119.9° |
| C38 | C32 | C34 | 116.2° | 109.4° |
| C38 | C32 | H20 | 106.6° | 109.5° |
| C38 | C46 | C44 | 119.9° | 120.0° |
| C38 | C46 | H4 | 120.1° | 120.0° |
| C34 | C32 | H20 | 106.4° | 109.5° |
| C32 | C34 | H21 | 109.5° | 109.5° |
| C32 | C34 | H22 | 109.5° | 109.5° |
| C32 | C34 | H23 | 109.5° | 109.5° |
| C60 | N59 | C70 | 110.9° | 110.9° |
| C60 | N59 | C56 | 115.1° | 111.0° |
| N59 | C60 | H9 | 108.6° | 109.5° |
| N59 | C60 | H10 | 108.6° | 109.5° |
| CL1 | C2 | C3 | 117.6° | 119.6° |
| C2 | C3 | C5 | 116.2° | 119.8° |
| C2 | C3 | H1 | 121.9° | 120.1° |
| C9 | C10 | C5 | 102.7° | 106.5° |
| C10 | C9 | C8 | 105.9° | 106.4° |
| C10 | C5 | C3 | 121.8° | 119.2° |
| C10 | C5 | N6 | 110.0° | 108.1° |
| C9 | C8 | N6 | 110.3° | 108.9° |
| C9 | C8 | C49 | 126.7° | 125.5° |
| C46 | C44 | H3 | 120.2° | 120.0° |
| C44 | C46 | H4 | 120.1° | 120.0° |
| C67 | C70 | N59 | 108.0° | 109.4° |
| C70 | C67 | H30 | 109.2° | 109.5° |
| C70 | C67 | H31 | 109.2° | 109.5° |
| C67 | C70 | H32 | 109.9° | 109.5° |
| C67 | C70 | H33 | 109.9° | 109.4° |
| C70 | N59 | C56 | 112.3° | 111.0° |
| N59 | C70 | H32 | 109.8° | 109.5° |
| N59 | C70 | H33 | 109.8° | 109.5° |
| N59 | C56 | C53 | 111.0° | 109.5° |
| N59 | C56 | H7 | 109.1° | 109.4° |
| N59 | C56 | H8 | 109.1° | 109.5° |
| C3 | C5 | N6 | 128.2° | 132.7° |
| C5 | C3 | H1 | 121.9° | 120.1° |
| C5 | N6 | C8 | 111.0° | 110.2° |
| C5 | N6 | H19 | 124.5° | 125.0° |
| N6 | C8 | C49 | 123.0° | 125.6° |
| C8 | N6 | H19 | 124.5° | 124.8° |
| C8 | C49 | N51 | 119.3° | 120.0° |
| C8 | C49 | O50 | 115.9° | 120.0° |
| C56 | C53 | N51 | 106.6° | 109.5° |
| C56 | C53 | H5 | 110.2° | 109.5° |
| C56 | C53 | H6 | 110.2° | 109.4° |
| C53 | C56 | H7 | 109.1° | 109.5° |
| C53 | C56 | H8 | 109.1° | 109.5° |
| C49 | N51 | C53 | 124.5° | 120.0° |
| N51 | C49 | O50 | 124.7° | 120.0° |
| C49 | N51 | H25 | 117.8° | 120.0° |
| N51 | C53 | H5 | 110.2° | 109.5° |
| N51 | C53 | H6 | 110.2° | 109.5° |
| C53 | N51 | H25 | 117.8° | 120.0° |
| H5 | C53 | H6 | 109.5° | 109.5° |
| H7 | C56 | H8 | 109.5° | 109.5° |
| H9 | C60 | H10 | 109.4° | 109.5° |
| H21 | C34 | H22 | 109.4° | 109.4° |
| H21 | C34 | H23 | 109.4° | 109.4° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H27 | C63 | H28 | 109.5° | 109.5° |
| H30 | C67 | H31 | 109.5° | 109.5° |
| H32 | C70 | H33 | 109.5° | 109.6° |
| H35 | C75 | H36 | 109.5° | 109.5° |
| H37 | C78 | H38 | 109.5° | 109.5° |
| H39 | C81 | H40 | 109.5° | 109.5° |
| H41 | C84 | H42 | 109.5° | 109.5° |
| H43 | C87 | H44 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C28 | C26 | H17 | 180.0° | 179.3° |
| C28 | C30 | C21 | H18 | 180.0° | 179.4° |
| C30 | C28 | C26 | C24 | 0.3° | 0.4° |
| C28 | C30 | C21 | C20 | 179.5° | 179.7° |
| C28 | C30 | C21 | C22 | 0.2° | 0.5° |
| C30 | C28 | C26 | H16 | 179.7° | 179.7° |
| C26 | C28 | C30 | C21 | 0.2° | 0.6° |
| C28 | C26 | C24 | H16 | 180.0° | 179.9° |
| C28 | C26 | C24 | C22 | 0.4° | 0.1° |
| C28 | C26 | C24 | H15 | 179.6° | 179.9° |
| C26 | C28 | C30 | H18 | 179.8° | 180.0° |
| C78 | C81 | C84 | H39 | 120.6° | 120.0° |
| C78 | C81 | C84 | H40 | 120.6° | 120.0° |
| C81 | C78 | C75 | H37 | 120.4° | 120.0° |
| C81 | C78 | C75 | H38 | 120.4° | 120.0° |
| C81 | C78 | C75 | C73 | 53.0° | 60.0° |
| C78 | C81 | C84 | C87 | 48.8° | 60.0° |
| C81 | C78 | C75 | H35 | 67.2° | 180.0° |
| C81 | C78 | C75 | H36 | 173.1° | 60.0° |
| C81 | C78 | H37 | H38 | 118.6° | 120.0° |
| C78 | C81 | H39 | H40 | 118.1° | 119.9° |
| C78 | C81 | C84 | H41 | 71.6° | 60.0° |
| C78 | C81 | C84 | H42 | 169.3° | 180.0° |
| C84 | C81 | C78 | C75 | 46.1° | 60.0° |
| C81 | C84 | C87 | H41 | 120.4° | 120.0° |
| C81 | C84 | C87 | H42 | 120.4° | 120.0° |
| C81 | C84 | C87 | C73 | 57.6° | 60.0° |
| C84 | C81 | C78 | H37 | 166.5° | 60.0° |
| C84 | C81 | C78 | H38 | 74.4° | 180.0° |
| C84 | C81 | H39 | H40 | 118.2° | 120.1° |
| C81 | C84 | H41 | H42 | 118.8° | 120.0° |
| C81 | C84 | C87 | H43 | 177.5° | 60.0° |
| C81 | C84 | C87 | H44 | 62.2° | 180.0° |
| C30 | C21 | C20 | N19 | 28.1° | 144.8° |
| C30 | C21 | C20 | C22 | 179.3° | 179.8° |
| C30 | C21 | C20 | C15 | 153.8° | 35.3° |
| C30 | C21 | C22 | C24 | 0.3° | 0.2° |
| C30 | C21 | C22 | H14 | 179.7° | 179.8° |
| C21 | C30 | C28 | H17 | 179.8° | 179.9° |
| C78 | C75 | C73 | H35 | 120.2° | 120.0° |
| C78 | C75 | C73 | H36 | 120.2° | 120.0° |
| C78 | C75 | C73 | C87 | 62.4° | 60.0° |
| C78 | C75 | C73 | N66 | 167.0° | 180.0° |
| C78 | C75 | C73 | H34 | 51.1° | 60.0° |
| C78 | C75 | H35 | H36 | 119.6° | 120.0° |
| C75 | C78 | H37 | H38 | 118.6° | 120.0° |
| C75 | C78 | C81 | H39 | 166.7° | 180.0° |
| C75 | C78 | C81 | H40 | 74.5° | 60.0° |
| C75 | C73 | C87 | C84 | 64.2° | 60.0° |
| C75 | C73 | C87 | N66 | 127.7° | 120.0° |
| C75 | C73 | C87 | H34 | 113.5° | 120.0° |
| C75 | C73 | N66 | C63 | 21.8° | 175.0° |
| C75 | C73 | N66 | H34 | 115.5° | 120.0° |
| C75 | C73 | N66 | C67 | 112.2° | 61.2° |
| C73 | C75 | H35 | H36 | 119.5° | 120.0° |
| C73 | C75 | C78 | H37 | 173.4° | 60.0° |
| C73 | C75 | C78 | H38 | 67.5° | 180.0° |
| C75 | C73 | C87 | H43 | 175.9° | 60.0° |
| C75 | C73 | C87 | H44 | 55.6° | 180.0° |
| C26 | C24 | C22 | C21 | 0.4° | 0.1° |
| C26 | C24 | C22 | H15 | 180.0° | 180.0° |
| C26 | C24 | C22 | H14 | 179.6° | 180.0° |
| C24 | C26 | C28 | H17 | 179.8° | 179.7° |
| N19 | C17 | N16 | H13 | 180.0° | 179.7° |
| C17 | N19 | C20 | C21 | 179.4° | 179.9° |
| C17 | N19 | C20 | C15 | 0.9° | 0.1° |
| N19 | C17 | N16 | C15 | 0.6° | 0.2° |
| N19 | C17 | N16 | C32 | 178.5° | 180.0° |
| C20 | N19 | C17 | N16 | 0.9° | 0.0° |
| N19 | C20 | C21 | C15 | 178.1° | 180.0° |
| N19 | C20 | C21 | C22 | 151.2° | 35.0° |
| N19 | C20 | C15 | N16 | 0.5° | 0.3° |
| N19 | C20 | C15 | C9 | 178.3° | 179.9° |
| C20 | N19 | C17 | H13 | 179.1° | 179.8° |
| C39 | C41 | C43 | H2 | 180.0° | 179.8° |
| C41 | C39 | C38 | H24 | 180.0° | 180.0° |
| C39 | C41 | C43 | CL2 | 179.8° | 180.0° |
| C39 | C41 | C43 | C44 | 0.0° | 0.0° |
| C41 | C39 | C38 | C32 | 179.0° | 180.0° |
| C41 | C39 | C38 | C46 | 1.0° | 0.0° |
| C43 | C41 | C39 | C38 | 0.7° | 0.0° |
| C41 | C43 | CL2 | C44 | 179.9° | 180.0° |
| C41 | C43 | C44 | C46 | 0.4° | 0.0° |
| C41 | C43 | C44 | H3 | 179.6° | 180.0° |
| C43 | C41 | C39 | H24 | 179.3° | 180.0° |
| C84 | C87 | C73 | H43 | 119.9° | 120.0° |
| C84 | C87 | C73 | H44 | 119.9° | 120.1° |
| C84 | C87 | C73 | N66 | 168.1° | 180.0° |
| C84 | C87 | C73 | H34 | 49.3° | 60.0° |
| C87 | C84 | C81 | H39 | 169.5° | 180.0° |
| C87 | C84 | C81 | H40 | 71.8° | 60.0° |
| C87 | C84 | H41 | H42 | 118.7° | 120.0° |
| C84 | C87 | H43 | H44 | 120.4° | 120.0° |
| C39 | C38 | C32 | N16 | 54.7° | 60.0° |
| C39 | C38 | C32 | C46 | 178.1° | 180.0° |
| C39 | C38 | C32 | C34 | 72.8° | 60.0° |
| C39 | C38 | C46 | C44 | 0.6° | 0.0° |
| C38 | C39 | C41 | H2 | 179.3° | 179.8° |
| C39 | C38 | C46 | H4 | 179.4° | 180.0° |
| C39 | C38 | C32 | H20 | 168.8° | 180.0° |
| C17 | N16 | C15 | C20 | 0.1° | 0.3° |
| C17 | N16 | C15 | C32 | 177.8° | 179.8° |
| C17 | N16 | C15 | C9 | 178.0° | 180.0° |
| C17 | N16 | C32 | C38 | 117.4° | 59.9° |
| C17 | N16 | C32 | C34 | 11.6° | 60.1° |
| C17 | N16 | C32 | H20 | 128.9° | 179.9° |
| C20 | C21 | C22 | C24 | 179.6° | 180.0° |
| C21 | C20 | C15 | N16 | 178.8° | 179.8° |
| C21 | C20 | C15 | C9 | 3.3° | 0.1° |
| C20 | C21 | C22 | H14 | 0.4° | 0.0° |
| C20 | C21 | C30 | H18 | 0.5° | 0.3° |
| C22 | C21 | C20 | C15 | 26.9° | 144.9° |
| C21 | C22 | C24 | H14 | 180.0° | 179.9° |
| C21 | C22 | C24 | H15 | 179.6° | 180.0° |
| C22 | C21 | C30 | H18 | 179.8° | 179.9° |
| C87 | C73 | N66 | C63 | 104.2° | 65.0° |
| C87 | C73 | N66 | H34 | 118.4° | 120.0° |
| C87 | C73 | N66 | C67 | 121.8° | 58.8° |
| C87 | C73 | C75 | H35 | 57.8° | 180.0° |
| C87 | C73 | C75 | H36 | 177.5° | 60.0° |
| C73 | C87 | C84 | H41 | 62.8° | 60.0° |
| C73 | C87 | C84 | H42 | 178.1° | 180.0° |
| C73 | C87 | H43 | H44 | 120.4° | 120.0° |
| C20 | C15 | N16 | C9 | 178.0° | 179.7° |
| C20 | C15 | N16 | C32 | 177.8° | 179.9° |
| C20 | C15 | C9 | C10 | 71.4° | 89.9° |
| C20 | C15 | C9 | C8 | 113.2° | 90.0° |
| C13 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C13 | C2 | H12 | 180.0° | 179.9° |
| C11 | C13 | C2 | CL1 | 179.9° | 179.9° |
| C11 | C13 | C2 | C3 | 0.4° | 0.2° |
| C13 | C11 | C10 | C9 | 178.9° | 180.0° |
| C13 | C11 | C10 | C5 | 0.2° | 0.3° |
| C10 | C11 | C13 | C2 | 0.3° | 0.1° |
| C11 | C10 | C9 | C15 | 3.3° | 0.4° |
| C11 | C10 | C9 | C5 | 179.2° | 179.7° |
| C11 | C10 | C9 | C8 | 179.8° | 179.7° |
| C11 | C10 | C5 | C3 | 0.2° | 0.3° |
| C11 | C10 | C5 | N6 | 179.8° | 179.8° |
| C10 | C11 | C13 | H12 | 179.7° | 180.0° |
| C13 | C2 | CL1 | C3 | 179.8° | 179.8° |
| C13 | C2 | C3 | C5 | 0.3° | 0.2° |
| C13 | C2 | C3 | H1 | 179.7° | 179.8° |
| C2 | C13 | C11 | H11 | 179.7° | 180.0° |
| N66 | C63 | C60 | H27 | 120.4° | 120.0° |
| N66 | C63 | C60 | H28 | 120.4° | 120.0° |
| C63 | N66 | C73 | C67 | 134.0° | 123.8° |
| N66 | C63 | C60 | N59 | 46.2° | 58.4° |
| C63 | N66 | C67 | C70 | 57.0° | 59.3° |
| N66 | C63 | C60 | H9 | 74.3° | 178.3° |
| N66 | C63 | C60 | H10 | 166.7° | 61.6° |
| N66 | C63 | H27 | H28 | 118.7° | 120.1° |
| C63 | N66 | C67 | H30 | 63.1° | 60.7° |
| C63 | N66 | C67 | H31 | 177.2° | 179.3° |
| C63 | N66 | C73 | H34 | 137.4° | 55.0° |
| C60 | C63 | N66 | C73 | 179.5° | 176.8° |
| C60 | C63 | N66 | C67 | 47.9° | 59.3° |
| C63 | C60 | N59 | H9 | 120.5° | 120.0° |
| C63 | C60 | N59 | H10 | 120.6° | 119.9° |
| C63 | C60 | N59 | C70 | 53.9° | 59.3° |
| C63 | C60 | N59 | C56 | 177.3° | 176.9° |
| C63 | C60 | H9 | H10 | 118.4° | 120.0° |
| C60 | C63 | H27 | H28 | 118.7° | 120.0° |
| CL2 | C43 | C44 | C46 | 179.7° | 180.0° |
| CL2 | C43 | C41 | H2 | 0.2° | 0.2° |
| CL2 | C43 | C44 | H3 | 0.3° | 0.0° |
| C73 | N66 | C67 | C70 | 163.8° | 176.8° |
| C73 | N66 | C63 | H27 | 59.0° | 63.2° |
| C73 | N66 | C63 | H28 | 60.1° | 56.8° |
| C73 | N66 | C67 | H30 | 76.1° | 63.2° |
| C73 | N66 | C67 | H31 | 43.6° | 56.8° |
| N66 | C73 | C75 | H35 | 72.8° | 60.0° |
| N66 | C73 | C75 | H36 | 46.8° | 60.0° |
| N66 | C73 | C87 | H43 | 48.2° | 60.0° |
| N66 | C73 | C87 | H44 | 72.1° | 60.0° |
| C22 | C24 | C26 | H16 | 179.6° | 180.0° |
| C43 | C44 | C46 | C38 | 0.1° | 0.0° |
| C43 | C44 | C46 | H3 | 180.0° | 180.0° |
| C44 | C43 | C41 | H2 | 180.0° | 179.8° |
| C43 | C44 | C46 | H4 | 179.9° | 180.0° |
| C15 | N16 | C32 | C38 | 60.1° | 119.8° |
| C15 | N16 | C32 | C34 | 171.0° | 120.2° |
| N16 | C15 | C9 | C10 | 106.3° | 89.7° |
| N16 | C15 | C9 | C8 | 69.1° | 90.4° |
| C15 | N16 | C17 | H13 | 179.4° | 180.0° |
| C15 | N16 | C32 | H20 | 53.7° | 0.2° |
| C32 | N16 | C15 | C9 | 0.2° | 0.3° |
| N16 | C32 | C38 | C34 | 127.4° | 120.0° |
| N16 | C32 | C38 | H20 | 114.2° | 120.1° |
| N16 | C32 | C38 | C46 | 123.4° | 120.0° |
| N16 | C32 | C34 | H20 | 117.8° | 120.0° |
| C32 | N16 | C17 | H13 | 1.5° | 0.3° |
| N16 | C32 | C34 | H21 | 180.0° | 180.0° |
| N16 | C32 | C34 | H22 | 60.0° | 60.0° |
| N16 | C32 | C34 | H23 | 60.0° | 60.0° |
| C15 | C9 | C10 | C8 | 176.5° | 179.9° |
| C15 | C9 | C10 | C5 | 177.4° | 180.0° |
| C15 | C9 | C8 | N6 | 176.6° | 179.9° |
| C15 | C9 | C8 | C49 | 3.5° | 0.0° |
| N66 | C67 | C70 | H30 | 120.2° | 119.9° |
| N66 | C67 | C70 | H31 | 120.2° | 119.9° |
| N66 | C67 | C70 | N59 | 63.3° | 58.4° |
| C67 | N66 | C63 | H27 | 168.3° | 60.7° |
| C67 | N66 | C63 | H28 | 72.6° | 179.3° |
| N66 | C67 | H30 | H31 | 119.5° | 120.0° |
| N66 | C67 | C70 | H32 | 176.9° | 61.5° |
| N66 | C67 | C70 | H33 | 56.5° | 178.3° |
| C67 | N66 | C73 | H34 | 3.3° | 178.8° |
| C38 | C32 | C34 | H20 | 118.5° | 120.0° |
| C32 | C38 | C46 | C44 | 178.7° | 180.0° |
| C32 | C38 | C46 | H4 | 1.3° | 0.0° |
| C38 | C32 | C34 | H21 | 56.3° | 60.0° |
| C38 | C32 | C34 | H22 | 176.3° | 180.0° |
| C38 | C32 | C34 | H23 | 63.6° | 60.0° |
| C32 | C38 | C39 | H24 | 1.0° | 0.0° |
| C46 | C38 | C32 | C34 | 109.1° | 120.0° |
| C38 | C46 | C44 | H4 | 180.0° | 179.9° |
| C38 | C46 | C44 | H3 | 179.9° | 180.0° |
| C46 | C38 | C32 | H20 | 9.3° | 0.0° |
| C46 | C38 | C39 | H24 | 179.0° | 180.0° |
| C32 | C34 | H21 | H22 | 120.0° | 120.0° |
| C32 | C34 | H21 | H23 | 120.0° | 120.0° |
| C32 | C34 | H22 | H23 | 120.0° | 120.1° |
| C60 | N59 | C70 | C67 | 61.3° | 59.4° |
| C60 | N59 | C70 | C56 | 130.4° | 123.8° |
| C60 | N59 | C56 | C53 | 155.0° | 170.0° |
| C60 | N59 | C56 | H7 | 84.7° | 50.0° |
| C60 | N59 | C56 | H8 | 34.8° | 70.0° |
| N59 | C60 | H9 | H10 | 118.4° | 120.1° |
| N59 | C60 | C63 | H27 | 166.6° | 61.6° |
| N59 | C60 | C63 | H28 | 74.2° | 178.4° |
| C60 | N59 | C70 | H32 | 178.9° | 60.6° |
| C60 | N59 | C70 | H33 | 58.5° | 179.3° |
| CL1 | C2 | C3 | C5 | 179.9° | 179.9° |
| CL1 | C2 | C3 | H1 | 0.1° | 0.0° |
| CL1 | C2 | C13 | H12 | 0.1° | 0.1° |
| C2 | C3 | C5 | C10 | 0.3° | 0.1° |
| C2 | C3 | C5 | H1 | 180.0° | 179.9° |
| C2 | C3 | C5 | N6 | 179.7° | 180.0° |
| C3 | C2 | C13 | H12 | 179.6° | 179.7° |
| C9 | C10 | C5 | C3 | 179.1° | 179.9° |
| C9 | C10 | C5 | N6 | 0.9° | 0.0° |
| C10 | C9 | C8 | N6 | 0.7° | 0.0° |
| C10 | C9 | C8 | C49 | 179.4° | 180.0° |
| C9 | C10 | C11 | H11 | 1.1° | 0.1° |
| C5 | C10 | C9 | C8 | 1.0° | 0.0° |
| C10 | C5 | C3 | N6 | 180.0° | 179.9° |
| C10 | C5 | N6 | C8 | 0.5° | 0.0° |
| C10 | C5 | C3 | H1 | 179.7° | 180.0° |
| C5 | C10 | C11 | H11 | 179.8° | 179.8° |
| C10 | C5 | N6 | H19 | 179.5° | 180.0° |
| C9 | C8 | N6 | C5 | 0.2° | 0.0° |
| C9 | C8 | N6 | C49 | 179.9° | 180.0° |
| C9 | C8 | C49 | N51 | 13.5° | 180.0° |
| C9 | C8 | C49 | O50 | 166.9° | 0.0° |
| C9 | C8 | N6 | H19 | 179.9° | 180.0° |
| C67 | C70 | N59 | H32 | 119.8° | 120.0° |
| C67 | C70 | N59 | H33 | 119.8° | 119.9° |
| C67 | C70 | N59 | C56 | 168.3° | 176.8° |
| C70 | C67 | H30 | H31 | 119.5° | 120.1° |
| C67 | C70 | H32 | H33 | 120.7° | 120.0° |
| C70 | N59 | C56 | C53 | 76.8° | 66.3° |
| C70 | N59 | C56 | H7 | 43.4° | 173.8° |
| C70 | N59 | C56 | H8 | 162.9° | 53.8° |
| C70 | N59 | C60 | H9 | 66.7° | 179.3° |
| C70 | N59 | C60 | H10 | 174.4° | 60.6° |
| N59 | C70 | C67 | H30 | 56.8° | 61.5° |
| N59 | C70 | C67 | H31 | 176.5° | 178.4° |
| N59 | C70 | H32 | H33 | 120.7° | 120.1° |
| N59 | C56 | C53 | H7 | 120.2° | 119.9° |
| N59 | C56 | C53 | H8 | 120.2° | 120.0° |
| N59 | C56 | C53 | N51 | 56.9° | 180.0° |
| N59 | C56 | C53 | H5 | 62.7° | 60.0° |
| N59 | C56 | C53 | H6 | 176.5° | 60.1° |
| N59 | C56 | H7 | H8 | 119.3° | 120.0° |
| C56 | N59 | C60 | H9 | 62.2° | 56.9° |
| C56 | N59 | C60 | H10 | 56.7° | 63.2° |
| C56 | N59 | C70 | H32 | 48.5° | 63.2° |
| C56 | N59 | C70 | H33 | 71.9° | 56.9° |
| C3 | C5 | N6 | C8 | 179.5° | 179.9° |
| C3 | C5 | N6 | H19 | 0.5° | 0.1° |
| C5 | N6 | C8 | H19 | 180.0° | 180.0° |
| C5 | N6 | C8 | C49 | 180.0° | 180.0° |
| N6 | C5 | C3 | H1 | 0.3° | 0.1° |
| N6 | C8 | C49 | N51 | 166.3° | 0.0° |
| N6 | C8 | C49 | O50 | 13.3° | 180.0° |
| C8 | C49 | N51 | O50 | 179.6° | 180.0° |
| C8 | C49 | N51 | C53 | 179.6° | 180.0° |
| C49 | C8 | N6 | H19 | 0.0° | 0.0° |
| C8 | C49 | N51 | H25 | 0.5° | 0.1° |
| C56 | C53 | N51 | C49 | 168.0° | 179.9° |
| C56 | C53 | N51 | H5 | 119.5° | 120.0° |
| C56 | C53 | N51 | H6 | 119.5° | 120.0° |
| C56 | C53 | H5 | H6 | 121.3° | 120.0° |
| C53 | C56 | H7 | H8 | 119.3° | 120.0° |
| C56 | C53 | N51 | H25 | 12.0° | 0.0° |
| C49 | N51 | C53 | H25 | 180.0° | 179.9° |
| C49 | N51 | C53 | H5 | 72.5° | 60.0° |
| C49 | N51 | C53 | H6 | 48.5° | 60.0° |
| C53 | N51 | C49 | O50 | 0.9° | 0.0° |
| N51 | C53 | H5 | H6 | 121.3° | 120.0° |
| N51 | C53 | C56 | H7 | 177.1° | 60.0° |
| N51 | C53 | C56 | H8 | 63.4° | 60.0° |
| O50 | C49 | N51 | H25 | 179.1° | 180.0° |
| H2 | C41 | C39 | H24 | 0.7° | 0.3° |
| H3 | C44 | C46 | H4 | 0.1° | 0.0° |
| H5 | C53 | C56 | H7 | 57.6° | 60.0° |
| H5 | C53 | C56 | H8 | 177.1° | NaN° |
| H5 | C53 | N51 | H25 | 107.5° | 120.1° |
| H6 | C53 | C56 | H7 | 63.3° | 180.0° |
| H6 | C53 | C56 | H8 | 56.2° | 60.0° |
| H6 | C53 | N51 | H25 | 131.6° | 119.9° |
| H9 | C60 | C63 | H27 | 46.1° | 58.4° |
| H9 | C60 | C63 | H28 | 165.2° | 61.6° |
| H10 | C60 | C63 | H27 | 72.8° | 178.4° |
| H10 | C60 | C63 | H28 | 46.3° | 58.4° |
| H11 | C11 | C13 | H12 | 0.3° | 0.1° |
| H14 | C22 | C24 | H15 | 0.4° | 0.0° |
| H15 | C24 | C26 | H16 | 0.4° | 0.0° |
| H16 | C26 | C28 | H17 | 0.3° | 0.3° |
| H17 | C28 | C30 | H18 | 0.1° | 0.6° |
| H20 | C32 | C34 | H21 | 62.2° | 60.0° |
| H20 | C32 | C34 | H22 | 57.8° | 60.0° |
| H20 | C32 | C34 | H23 | 177.8° | 179.9° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
| H30 | C67 | C70 | H32 | 62.9° | 178.5° |
| H30 | C67 | C70 | H33 | 176.6° | 58.4° |
| H31 | C67 | C70 | H32 | 56.7° | 58.4° |
| H31 | C67 | C70 | H33 | 63.7° | 61.7° |
| H34 | C73 | C75 | H35 | 171.3° | 60.0° |
| H34 | C73 | C75 | H36 | 69.1° | 180.0° |
| H34 | C73 | C87 | H43 | 70.6° | 180.0° |
| H34 | C73 | C87 | H44 | 169.1° | 60.0° |
| H35 | C75 | C78 | H37 | 53.3° | 60.0° |
| H35 | C75 | C78 | H38 | 172.4° | 60.0° |
| H36 | C75 | C78 | H37 | 66.4° | 180.0° |
| H36 | C75 | C78 | H38 | 52.7° | 60.0° |
| H37 | C78 | C81 | H39 | 72.8° | 60.0° |
| H37 | C78 | C81 | H40 | 45.9° | 180.0° |
| H38 | C78 | C81 | H39 | 46.3° | 60.0° |
| H38 | C78 | C81 | H40 | 165.0° | 60.0° |
| H39 | C81 | C84 | H41 | 49.0° | 60.0° |
| H39 | C81 | C84 | H42 | 70.1° | 60.0° |
| H40 | C81 | C84 | H41 | 167.8° | 180.0° |
| H40 | C81 | C84 | H42 | 48.6° | 60.0° |
| H41 | C84 | C87 | H43 | 57.1° | 180.0° |
| H41 | C84 | C87 | H44 | 177.3° | 60.0° |
| H42 | C84 | C87 | H43 | 62.1° | 60.0° |
| H42 | C84 | C87 | H44 | 58.2° | 60.0° |
