A1CU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C10 | O9 | sing | 1.45Å | 1.46Å | |
| C39 | C37 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | sing | 1.34Å | 1.35Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | O12 | doub | 1.21Å | 1.20Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C40 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C36 | C4 | sing | 1.51Å | 1.51Å | |
| C40 | C2 | sing | 1.50Å | 1.50Å | |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| C4 | N5 | sing | 1.38Å | 1.43Å | |
| C4 | C3 | doub | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.41Å | 1.44Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| N5 | C13 | sing | 1.38Å | 1.38Å | |
| C3 | C18 | sing | 1.51Å | 1.52Å | |
| C13 | N14 | doub | 1.30Å | 1.31Å | Aromatic |
| C13 | N17 | sing | 1.36Å | 1.34Å | Aromatic |
| N14 | N15 | sing | 1.29Å | 1.36Å | Aromatic |
| C18 | N17 | sing | 1.45Å | 1.46Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| N17 | N16 | sing | 1.39Å | 1.35Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N15 | N16 | doub | 1.29Å | 1.30Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.37Å | |
| C24 | O23 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C33 | C31 | sing | 1.53Å | 1.50Å | |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | C30 | sing | 1.51Å | 1.52Å | |
| C25 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O9 | 108.8° | 109.5° |
| C11 | C10 | H5 | 109.7° | 109.5° |
| C11 | C10 | H6 | 109.7° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.4° | 109.4° |
| C10 | C11 | H15 | 109.5° | 109.4° |
| C10 | O9 | C8 | 120.3° | 117.0° |
| O9 | C10 | H5 | 109.6° | 109.4° |
| O9 | C10 | H6 | 109.6° | 109.5° |
| C39 | C37 | C36 | 109.7° | 109.7° |
| C39 | C37 | C40 | 109.6° | 109.7° |
| C39 | C37 | C38 | 108.9° | 109.7° |
| C37 | C39 | H31 | 109.5° | 109.5° |
| C37 | C39 | H32 | 109.5° | 109.5° |
| C37 | C39 | H33 | 109.5° | 109.5° |
| O9 | C8 | C7 | 114.9° | 120.0° |
| O9 | C8 | O12 | 122.8° | 120.0° |
| C7 | C8 | O12 | 122.3° | 120.0° |
| C8 | C7 | C6 | 112.6° | 109.5° |
| C8 | C7 | H3 | 108.7° | 109.4° |
| C8 | C7 | H4 | 108.7° | 109.5° |
| C36 | C37 | C40 | 108.4° | 108.3° |
| C36 | C37 | C38 | 110.1° | 109.7° |
| C37 | C36 | C4 | 116.1° | 109.7° |
| C37 | C36 | H27 | 107.8° | 109.5° |
| C37 | C36 | H19 | 107.8° | 109.4° |
| C40 | C37 | C38 | 110.1° | 109.7° |
| C37 | C40 | C2 | 114.0° | 108.9° |
| C37 | C40 | H34 | 108.3° | 109.6° |
| C37 | C40 | H35 | 108.3° | 109.6° |
| C37 | C38 | H28 | 109.5° | 109.5° |
| C37 | C38 | H29 | 109.4° | 109.5° |
| C37 | C38 | H30 | 109.5° | 109.5° |
| C7 | C6 | N5 | 113.3° | 109.4° |
| C7 | C6 | H1 | 108.5° | 109.4° |
| C7 | C6 | H2 | 108.5° | 109.5° |
| C6 | C7 | H3 | 108.7° | 109.5° |
| C6 | C7 | H4 | 108.7° | 109.5° |
| C36 | C4 | N5 | 117.8° | 117.2° |
| C36 | C4 | C3 | 122.0° | 120.9° |
| C4 | C36 | H27 | 107.8° | 109.4° |
| C4 | C36 | H19 | 107.8° | 109.5° |
| C40 | C2 | C3 | 116.8° | 121.5° |
| C40 | C2 | O1 | 121.5° | 119.3° |
| C2 | C40 | H34 | 108.3° | 109.6° |
| C2 | C40 | H35 | 108.3° | 109.5° |
| C6 | N5 | C4 | 122.1° | 121.0° |
| C6 | N5 | C13 | 121.3° | 121.0° |
| N5 | C6 | H1 | 108.5° | 109.5° |
| N5 | C6 | H2 | 108.5° | 109.5° |
| N5 | C4 | C3 | 120.2° | 121.9° |
| C4 | N5 | C13 | 116.5° | 117.9° |
| C4 | C3 | C2 | 120.2° | 120.9° |
| C4 | C3 | C18 | 122.7° | 122.1° |
| C3 | C2 | O1 | 121.7° | 119.2° |
| C2 | C3 | C18 | 117.0° | 117.0° |
| N5 | C13 | N14 | 128.9° | 131.3° |
| N5 | C13 | N17 | 121.7° | 121.5° |
| C3 | C18 | N17 | 106.2° | 110.0° |
| C3 | C18 | C19 | 112.9° | 109.4° |
| C3 | C18 | H16 | 108.8° | 109.3° |
| N14 | C13 | N17 | 109.4° | 107.3° |
| C13 | N14 | N15 | 105.1° | 110.3° |
| C13 | N17 | C18 | 126.7° | 123.5° |
| C13 | N17 | N16 | 108.2° | 105.6° |
| N14 | N15 | N16 | 111.5° | 110.3° |
| N17 | C18 | C19 | 110.4° | 109.4° |
| C18 | N17 | N16 | 125.2° | 131.0° |
| N17 | C18 | H16 | 109.6° | 109.4° |
| C18 | C19 | C20 | 121.1° | 119.9° |
| C18 | C19 | C35 | 120.6° | 119.9° |
| C19 | C18 | H16 | 108.8° | 109.4° |
| N17 | N16 | N15 | 105.8° | 106.5° |
| C19 | C20 | C21 | 121.1° | 120.0° |
| C20 | C19 | C35 | 118.4° | 120.2° |
| C19 | C20 | H7 | 119.4° | 120.0° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C21 | C20 | H7 | 119.4° | 120.0° |
| C20 | C21 | H8 | 120.2° | 120.0° |
| C19 | C35 | C34 | 121.1° | 120.0° |
| C19 | C35 | H26 | 119.4° | 120.0° |
| C21 | C22 | C34 | 119.9° | 119.8° |
| C21 | C22 | O23 | 124.6° | 120.1° |
| C22 | C21 | H8 | 120.2° | 120.0° |
| C35 | C34 | C22 | 119.8° | 120.0° |
| C35 | C34 | H25 | 120.1° | 120.0° |
| C34 | C35 | H26 | 119.4° | 120.0° |
| C34 | C22 | O23 | 115.4° | 120.0° |
| C22 | C34 | H25 | 120.1° | 120.0° |
| C22 | O23 | C24 | 117.9° | 117.0° |
| O23 | C24 | C25 | 106.7° | 109.5° |
| O23 | C24 | H9 | 110.2° | 109.4° |
| O23 | C24 | H10 | 110.1° | 109.5° |
| C24 | C25 | C30 | 123.0° | 120.0° |
| C24 | C25 | C26 | 117.9° | 120.0° |
| C25 | C24 | H9 | 110.1° | 109.5° |
| C25 | C24 | H10 | 110.2° | 109.5° |
| C31 | C33 | C32 | 60.0° | 60.0° |
| C33 | C31 | C32 | 59.8° | 60.0° |
| C33 | C31 | C30 | 122.8° | 117.5° |
| C33 | C31 | H20 | 114.8° | 117.6° |
| C31 | C33 | H23 | 120.0° | 117.5° |
| C31 | C33 | H24 | 120.0° | 117.5° |
| C33 | C32 | C31 | 60.1° | 60.0° |
| C33 | C32 | H21 | 120.0° | 117.5° |
| C33 | C32 | H22 | 120.0° | 117.5° |
| C32 | C33 | H23 | 120.0° | 117.5° |
| C32 | C33 | H24 | 120.0° | 117.4° |
| C32 | C31 | C30 | 119.5° | 117.5° |
| C32 | C31 | H20 | 114.8° | 117.6° |
| C31 | C32 | H21 | 120.0° | 117.5° |
| C31 | C32 | H22 | 120.0° | 117.5° |
| C31 | C30 | C25 | 122.5° | 120.0° |
| C31 | C30 | C29 | 118.4° | 120.0° |
| C30 | C31 | H20 | 114.4° | 115.5° |
| C30 | C25 | C26 | 119.2° | 120.0° |
| C25 | C30 | C29 | 119.0° | 120.0° |
| C25 | C26 | C27 | 120.9° | 120.0° |
| C25 | C26 | H11 | 119.6° | 120.0° |
| C30 | C29 | C28 | 121.0° | 120.0° |
| C30 | C29 | H18 | 119.5° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C27 | C26 | H11 | 119.5° | 120.0° |
| C26 | C27 | H17 | 120.1° | 120.0° |
| C29 | C28 | C27 | 120.0° | 120.0° |
| C29 | C28 | H12 | 120.0° | 120.0° |
| C28 | C29 | H18 | 119.5° | 120.0° |
| C27 | C28 | H12 | 120.0° | 120.0° |
| C28 | C27 | H17 | 120.0° | 120.0° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.6° |
| H13 | C11 | H15 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 115.5° |
| H23 | C33 | H24 | 109.5° | 115.6° |
| H27 | C36 | H19 | 109.5° | 109.4° |
| H28 | C38 | H29 | 109.5° | 109.4° |
| H28 | C38 | H30 | 109.4° | 109.5° |
| H29 | C38 | H30 | 109.5° | 109.5° |
| H31 | C39 | H32 | 109.5° | 109.5° |
| H31 | C39 | H33 | 109.5° | 109.4° |
| H32 | C39 | H33 | 109.4° | 109.5° |
| H34 | C40 | H35 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O9 | H5 | 119.9° | 120.0° |
| C11 | C10 | O9 | H6 | 119.9° | 120.0° |
| C11 | C10 | O9 | C8 | 110.5° | 180.0° |
| C11 | C10 | H5 | H6 | 120.3° | 120.1° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H15 | 120.0° | 119.9° |
| C10 | C11 | H14 | H15 | 120.0° | 119.9° |
| C10 | O9 | C8 | C7 | 4.0° | 180.0° |
| C10 | O9 | C8 | O12 | 176.2° | 0.0° |
| O9 | C10 | H5 | H6 | 120.3° | 120.0° |
| O9 | C10 | C11 | H13 | 180.0° | 60.0° |
| O9 | C10 | C11 | H14 | 60.0° | 179.9° |
| O9 | C10 | C11 | H15 | 60.0° | 60.0° |
| C39 | C37 | C36 | C40 | 119.7° | 119.7° |
| C39 | C37 | C36 | C38 | 119.8° | 120.6° |
| C39 | C37 | C40 | C38 | 119.8° | 120.6° |
| C39 | C37 | C36 | C4 | 154.6° | 178.2° |
| C39 | C37 | C40 | C2 | 173.1° | 176.3° |
| C39 | C37 | C36 | H27 | 84.4° | 58.2° |
| C39 | C37 | C38 | H28 | 180.0° | 179.4° |
| C39 | C37 | C38 | H29 | 60.0° | 59.4° |
| C39 | C37 | C38 | H30 | 60.0° | 60.5° |
| C37 | C39 | H31 | H32 | 120.0° | 120.0° |
| C37 | C39 | H31 | H33 | 120.0° | 120.1° |
| C37 | C39 | H32 | H33 | 120.0° | 120.0° |
| C39 | C37 | C40 | H34 | 52.4° | 63.8° |
| C39 | C37 | C40 | H35 | 66.2° | 56.5° |
| C39 | C37 | C36 | H19 | 33.7° | 61.7° |
| O9 | C8 | C7 | O12 | 179.7° | 179.9° |
| O9 | C8 | C7 | C6 | 171.9° | 180.0° |
| O9 | C8 | C7 | H3 | 67.6° | 60.0° |
| O9 | C8 | C7 | H4 | 51.5° | 60.0° |
| C8 | O9 | C10 | H5 | 129.6° | 60.0° |
| C8 | O9 | C10 | H6 | 9.4° | 60.0° |
| C8 | C7 | C6 | H3 | 120.5° | 120.0° |
| C8 | C7 | C6 | H4 | 120.5° | 120.0° |
| C8 | C7 | C6 | N5 | 143.0° | 180.0° |
| C8 | C7 | C6 | H1 | 96.4° | 60.0° |
| C8 | C7 | C6 | H2 | 22.4° | 60.0° |
| C8 | C7 | H3 | H4 | 118.6° | 120.0° |
| O12 | C8 | C7 | C6 | 8.3° | 0.0° |
| O12 | C8 | C7 | H3 | 112.1° | 120.0° |
| O12 | C8 | C7 | H4 | 128.8° | 120.0° |
| C36 | C37 | C40 | C38 | 120.5° | 119.7° |
| C37 | C36 | C4 | H27 | 120.9° | 120.1° |
| C37 | C36 | C4 | H19 | 121.0° | 120.0° |
| C36 | C37 | C40 | C2 | 53.4° | 56.6° |
| C37 | C36 | C4 | N5 | 177.9° | 149.4° |
| C37 | C36 | C4 | C3 | 1.2° | 30.8° |
| C37 | C36 | H27 | H19 | 117.0° | 119.9° |
| C36 | C37 | C38 | H28 | 59.6° | 60.0° |
| C36 | C37 | C38 | H29 | 179.7° | 180.0° |
| C36 | C37 | C38 | H30 | 60.4° | 60.0° |
| C36 | C37 | C39 | H31 | 180.0° | 60.0° |
| C36 | C37 | C39 | H32 | 60.0° | 180.0° |
| C36 | C37 | C39 | H33 | 60.0° | 60.0° |
| C36 | C37 | C40 | H34 | 67.3° | 176.5° |
| C36 | C37 | C40 | H35 | 174.0° | 63.2° |
| C40 | C37 | C36 | C4 | 34.9° | 58.5° |
| C37 | C40 | C2 | H34 | 120.7° | 119.8° |
| C37 | C40 | C2 | H35 | 120.7° | 119.9° |
| C37 | C40 | C2 | C3 | 36.9° | 27.9° |
| C37 | C40 | C2 | O1 | 142.7° | 152.0° |
| C40 | C37 | C36 | H27 | 155.9° | 61.5° |
| C40 | C37 | C38 | H28 | 59.8° | 58.8° |
| C40 | C37 | C38 | H29 | 60.2° | 61.1° |
| C40 | C37 | C38 | H30 | 179.8° | 178.9° |
| C40 | C37 | C39 | H31 | 61.1° | 178.9° |
| C40 | C37 | C39 | H32 | 58.9° | 61.1° |
| C40 | C37 | C39 | H33 | 178.9° | 58.9° |
| C37 | C40 | H34 | H35 | 117.9° | 120.3° |
| C40 | C37 | C36 | H19 | 86.0° | 178.6° |
| C38 | C37 | C36 | C4 | 85.5° | 61.2° |
| C38 | C37 | C40 | C2 | 67.1° | 63.1° |
| C38 | C37 | C36 | H27 | 35.4° | 178.8° |
| C37 | C38 | H28 | H29 | 120.0° | 120.0° |
| C37 | C38 | H28 | H30 | 120.0° | 120.0° |
| C37 | C38 | H29 | H30 | 120.0° | 120.0° |
| C38 | C37 | C39 | H31 | 59.4° | 60.6° |
| C38 | C37 | C39 | H32 | 179.4° | 59.4° |
| C38 | C37 | C39 | H33 | 60.6° | 179.4° |
| C38 | C37 | C40 | H34 | 172.2° | 56.8° |
| C38 | C37 | C40 | H35 | 53.6° | 177.1° |
| C38 | C37 | C36 | H19 | 153.5° | 58.9° |
| C7 | C6 | N5 | H1 | 120.6° | 119.9° |
| C7 | C6 | N5 | H2 | 120.6° | 120.0° |
| C7 | C6 | N5 | C4 | 81.6° | 90.0° |
| C7 | C6 | N5 | C13 | 95.6° | 90.0° |
| C7 | C6 | H1 | H2 | 118.3° | 120.0° |
| C6 | C7 | H3 | H4 | 118.6° | 120.1° |
| C36 | C4 | N5 | C6 | 7.5° | 14.5° |
| C36 | C4 | N5 | C3 | 176.8° | 179.8° |
| C36 | C4 | C3 | C2 | 21.6° | 0.1° |
| C36 | C4 | N5 | C13 | 175.2° | 165.5° |
| C36 | C4 | C3 | C18 | 154.2° | 180.0° |
| C4 | C36 | H27 | H19 | 117.0° | 119.9° |
| C40 | C2 | C3 | C4 | 2.0° | 1.3° |
| C40 | C2 | C3 | O1 | 179.6° | 179.9° |
| C40 | C2 | C3 | C18 | 174.1° | 178.6° |
| C2 | C40 | H34 | H35 | 117.9° | 120.3° |
| C6 | N5 | C4 | C13 | 177.3° | 180.0° |
| C6 | N5 | C4 | C3 | 175.7° | 165.7° |
| C6 | N5 | C13 | N14 | 7.6° | 14.6° |
| C6 | N5 | C13 | N17 | 173.4° | 165.8° |
| N5 | C6 | H1 | H2 | 118.2° | 120.0° |
| N5 | C6 | C7 | H3 | 22.5° | 60.0° |
| N5 | C6 | C7 | H4 | 96.5° | 60.0° |
| N5 | C4 | C3 | C2 | 161.7° | 179.9° |
| N5 | C4 | C3 | C18 | 22.4° | 0.2° |
| C4 | N5 | C13 | N14 | 169.8° | 165.4° |
| C4 | N5 | C13 | N17 | 9.3° | 14.2° |
| C4 | N5 | C6 | H1 | 39.0° | 30.0° |
| C4 | N5 | C6 | H2 | 157.8° | 150.0° |
| N5 | C4 | C36 | H27 | 57.0° | 90.5° |
| N5 | C4 | C36 | H19 | 61.1° | 29.4° |
| C4 | C3 | C2 | C18 | 176.1° | 179.9° |
| C4 | C3 | C2 | O1 | 178.4° | 178.8° |
| C3 | C4 | N5 | C13 | 1.6° | 14.3° |
| C4 | C3 | C18 | N17 | 28.6° | 13.5° |
| C4 | C3 | C18 | C19 | 92.6° | 106.7° |
| C4 | C3 | C18 | H16 | 146.5° | 133.5° |
| C3 | C4 | C36 | H27 | 119.7° | 89.3° |
| C3 | C4 | C36 | H19 | 122.1° | 150.8° |
| C2 | C3 | C18 | N17 | 155.5° | 166.6° |
| C2 | C3 | C18 | C19 | 83.4° | 73.2° |
| C2 | C3 | C18 | H16 | 37.5° | 46.6° |
| C3 | C2 | C40 | H34 | 83.8° | 147.7° |
| C3 | C2 | C40 | H35 | 157.6° | 92.0° |
| O1 | C2 | C3 | C18 | 5.5° | 1.3° |
| O1 | C2 | C40 | H34 | 96.7° | 32.2° |
| O1 | C2 | C40 | H35 | 22.0° | 88.1° |
| N5 | C13 | N14 | N17 | 179.2° | 179.6° |
| N5 | C13 | N14 | N15 | 179.2° | 179.5° |
| N5 | C13 | N17 | C18 | 0.7° | 0.7° |
| N5 | C13 | N17 | N16 | 179.3° | 179.4° |
| C13 | N5 | C6 | H1 | 143.8° | 150.0° |
| C13 | N5 | C6 | H2 | 25.0° | 30.0° |
| C3 | C18 | N17 | C13 | 18.0° | 13.7° |
| C3 | C18 | N17 | C19 | 122.8° | 120.1° |
| C3 | C18 | N17 | H16 | 117.4° | 120.0° |
| C3 | C18 | C19 | H16 | 120.9° | 119.7° |
| C3 | C18 | N17 | N16 | 161.9° | 166.5° |
| C3 | C18 | C19 | C20 | 46.1° | 119.5° |
| C3 | C18 | C19 | C35 | 133.5° | 60.5° |
| N14 | C13 | N17 | C18 | 179.9° | 179.6° |
| N14 | C13 | N17 | N16 | 0.0° | 0.3° |
| C13 | N14 | N15 | N16 | 0.0° | 0.0° |
| N17 | C13 | N14 | N15 | 0.0° | 0.2° |
| C13 | N17 | C18 | N16 | 179.9° | 179.8° |
| C13 | N17 | C18 | C19 | 104.7° | 106.5° |
| C13 | N17 | N16 | N15 | 0.0° | 0.2° |
| C13 | N17 | C18 | H16 | 135.4° | 133.7° |
| N14 | N15 | N16 | N17 | 0.0° | 0.1° |
| N17 | C18 | C19 | H16 | 120.4° | 119.8° |
| N17 | C18 | C19 | C20 | 72.6° | 120.0° |
| N17 | C18 | C19 | C35 | 107.8° | 60.0° |
| C18 | N17 | N16 | N15 | 180.0° | 179.6° |
| C19 | C18 | N17 | N16 | 75.3° | 73.4° |
| C18 | C19 | C20 | C35 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C18 | C19 | C35 | C34 | 179.6° | 180.0° |
| C18 | C19 | C20 | H7 | 0.4° | 0.3° |
| C18 | C19 | C35 | H26 | 0.4° | 0.0° |
| N16 | N17 | C18 | H16 | 44.5° | 46.5° |
| C19 | C20 | C21 | H7 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C35 | C34 | 0.0° | 0.0° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C20 | C19 | C18 | H16 | 167.0° | 0.2° |
| C20 | C19 | C35 | H26 | 180.0° | 180.0° |
| C21 | C20 | C19 | C35 | 0.0° | 0.0° |
| C20 | C21 | C22 | H8 | 180.0° | 179.9° |
| C20 | C21 | C22 | C34 | 0.1° | 0.0° |
| C20 | C21 | C22 | O23 | 179.5° | 180.0° |
| C19 | C35 | C34 | H26 | 180.0° | 180.0° |
| C19 | C35 | C34 | C22 | 0.0° | 0.0° |
| C35 | C19 | C20 | H7 | 180.0° | 179.8° |
| C35 | C19 | C18 | H16 | 12.6° | 179.8° |
| C19 | C35 | C34 | H25 | 179.9° | 179.9° |
| C21 | C22 | C34 | C35 | 0.1° | 0.0° |
| C21 | C22 | C34 | O23 | 179.7° | 180.0° |
| C21 | C22 | O23 | C24 | 18.5° | 179.9° |
| C22 | C21 | C20 | H7 | 179.9° | 179.8° |
| C21 | C22 | C34 | H25 | 179.9° | 179.9° |
| C35 | C34 | C22 | H25 | 180.0° | 180.0° |
| C35 | C34 | C22 | O23 | 179.6° | 180.0° |
| C34 | C22 | O23 | C24 | 161.9° | 0.0° |
| C34 | C22 | C21 | H8 | 179.9° | 180.0° |
| C22 | C34 | C35 | H26 | 179.9° | 180.0° |
| C22 | O23 | C24 | C25 | 139.3° | 180.0° |
| O23 | C22 | C21 | H8 | 0.4° | 0.0° |
| C22 | O23 | C24 | H9 | 101.2° | 60.0° |
| C22 | O23 | C24 | H10 | 19.7° | 59.9° |
| O23 | C22 | C34 | H25 | 0.4° | 0.1° |
| O23 | C24 | C25 | H9 | 119.6° | 120.0° |
| O23 | C24 | C25 | H10 | 119.6° | 120.1° |
| O23 | C24 | C25 | C30 | 109.4° | 180.0° |
| O23 | C24 | C25 | C26 | 71.4° | 0.0° |
| O23 | C24 | H9 | H10 | 121.3° | 120.0° |
| C24 | C25 | C30 | C31 | 2.1° | 0.0° |
| C24 | C25 | C30 | C26 | 179.3° | 180.0° |
| C24 | C25 | C30 | C29 | 179.1° | 180.0° |
| C24 | C25 | C26 | C27 | 179.2° | 180.0° |
| C25 | C24 | H9 | H10 | 121.3° | 120.0° |
| C24 | C25 | C26 | H11 | 0.8° | 0.3° |
| C31 | C33 | C32 | H23 | 109.5° | 107.5° |
| C31 | C33 | C32 | H24 | 109.5° | 107.5° |
| C33 | C31 | C32 | C30 | 113.0° | 107.5° |
| C33 | C31 | C32 | H20 | 105.4° | 107.6° |
| C33 | C31 | C30 | H20 | 147.0° | 145.7° |
| C33 | C31 | C30 | C25 | 78.8° | 171.4° |
| C33 | C31 | C30 | C29 | 104.1° | 8.6° |
| C31 | C33 | C32 | H21 | 109.5° | 107.4° |
| C31 | C33 | C32 | H22 | 109.5° | 107.5° |
| C31 | C33 | H23 | H24 | 144.7° | 145.7° |
| C33 | C32 | H21 | H22 | 144.7° | 145.8° |
| C32 | C33 | H23 | H24 | 144.7° | 145.7° |
| C32 | C31 | C30 | H20 | 141.8° | 145.7° |
| C32 | C31 | C30 | C25 | 150.0° | 120.0° |
| C32 | C31 | C30 | C29 | 32.9° | 60.0° |
| C31 | C32 | H21 | H22 | 144.7° | 145.6° |
| C31 | C30 | C25 | C29 | 177.1° | 180.0° |
| C31 | C30 | C25 | C26 | 177.2° | 180.0° |
| C31 | C30 | C29 | C28 | 177.3° | 179.7° |
| C31 | C30 | C29 | H18 | 2.6° | 0.3° |
| C30 | C31 | C32 | H21 | 3.5° | 145.0° |
| C30 | C31 | C32 | H22 | 137.5° | 0.0° |
| C30 | C31 | C33 | H23 | 1.8° | 0.0° |
| C30 | C31 | C33 | H24 | 142.9° | 145.1° |
| C30 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.2° |
| C30 | C25 | C24 | H9 | 10.2° | 60.0° |
| C30 | C25 | C24 | H10 | 131.1° | 60.0° |
| C30 | C25 | C26 | H11 | 179.9° | 179.7° |
| C25 | C30 | C29 | H18 | 179.8° | 179.7° |
| C25 | C30 | C31 | H20 | 68.2° | 25.6° |
| C26 | C25 | C30 | C29 | 0.1° | 0.0° |
| C25 | C26 | C27 | H11 | 180.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.0° | 0.2° |
| C26 | C25 | C24 | H9 | 169.1° | 120.0° |
| C26 | C25 | C24 | H10 | 48.2° | 120.0° |
| C25 | C26 | C27 | H17 | 180.0° | 179.7° |
| C30 | C29 | C28 | H18 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.5° |
| C30 | C29 | C28 | H12 | 179.9° | 180.0° |
| C29 | C30 | C31 | H20 | 108.9° | 154.3° |
| C26 | C27 | C28 | C29 | 0.1° | 0.5° |
| C26 | C27 | C28 | H17 | 180.0° | 179.9° |
| C26 | C27 | C28 | H12 | 179.9° | 180.0° |
| C29 | C28 | C27 | H12 | 180.0° | 179.5° |
| C29 | C28 | C27 | H17 | 179.9° | 179.4° |
| C28 | C27 | C26 | H11 | 179.9° | 180.0° |
| C27 | C28 | C29 | H18 | 179.8° | 179.5° |
| H1 | C6 | C7 | H3 | 143.1° | 59.9° |
| H1 | C6 | C7 | H4 | 24.0° | 180.0° |
| H2 | C6 | C7 | H3 | 98.0° | 180.0° |
| H2 | C6 | C7 | H4 | 142.9° | 60.0° |
| H5 | C10 | C11 | H13 | 60.1° | 179.9° |
| H5 | C10 | C11 | H14 | 59.9° | 60.0° |
| H5 | C10 | C11 | H15 | 179.9° | 60.0° |
| H6 | C10 | C11 | H13 | 60.1° | 60.0° |
| H6 | C10 | C11 | H14 | 179.9° | 60.1° |
| H6 | C10 | C11 | H15 | 59.9° | 180.0° |
| H7 | C20 | C21 | H8 | 0.0° | 0.3° |
| H11 | C26 | C27 | H17 | 0.0° | 0.0° |
| H12 | C28 | C27 | H17 | 0.0° | 0.1° |
| H12 | C28 | C29 | H18 | 0.1° | 0.1° |
| H13 | C11 | H14 | H15 | 120.0° | 120.1° |
| H20 | C31 | C32 | H21 | 145.2° | 0.0° |
| H20 | C31 | C32 | H22 | 4.2° | 144.9° |
| H20 | C31 | C33 | H23 | 145.1° | 145.0° |
| H20 | C31 | C33 | H24 | 4.0° | 0.1° |
| H21 | C32 | C33 | H23 | 0.0° | 145.1° |
| H21 | C32 | C33 | H24 | 141.0° | 0.0° |
| H22 | C32 | C33 | H23 | 141.0° | 0.0° |
| H22 | C32 | C33 | H24 | 0.0° | 145.0° |
| H25 | C34 | C35 | H26 | 0.1° | 0.1° |
| H28 | C38 | H29 | H30 | 120.0° | 120.0° |
| H31 | C39 | H32 | H33 | 120.0° | 119.9° |
