GMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | sing | 1.43Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C18 | N17 | sing | 1.47Å | 1.50Å | |
| C22 | N17 | sing | 1.47Å | 1.49Å | |
| N17 | C15 | sing | 1.35Å | 1.33Å | |
| C15 | O16 | doub | 1.22Å | 1.20Å | |
| C15 | C12 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | N14 | doub | 1.32Å | 1.32Å | Aromatic |
| C9 | N14 | sing | 1.33Å | 1.29Å | Aromatic |
| C9 | N7 | sing | 1.39Å | 1.38Å | |
| N7 | C2 | sing | 1.39Å | 1.41Å | |
| C2 | C1 | sing | 1.42Å | 1.43Å | |
| C2 | C3 | doub | 1.36Å | 1.33Å | |
| O8 | C1 | doub | 1.22Å | 1.21Å | |
| C1 | N6 | sing | 1.35Å | 1.40Å | |
| C3 | C4 | sing | 1.41Å | 1.44Å | |
| N6 | C23 | sing | 1.47Å | 1.48Å | |
| N6 | N5 | sing | 1.40Å | 1.36Å | |
| C4 | N5 | doub | 1.31Å | 1.32Å | |
| C4 | C24 | sing | 1.48Å | 1.44Å | |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C40 | sing | 1.51Å | 1.46Å | |
| C29 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C40 | O41 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.39Å | 1.34Å | Aromatic |
| C28 | N30 | sing | 1.40Å | 1.45Å | |
| N35 | N30 | sing | 1.39Å | 1.43Å | |
| N35 | C34 | doub | 1.30Å | 1.31Å | |
| N30 | C31 | sing | 1.35Å | 1.38Å | |
| C34 | C33 | sing | 1.46Å | 1.44Å | |
| C31 | O42 | doub | 1.22Å | 1.23Å | |
| C31 | C32 | sing | 1.47Å | 1.50Å | |
| C33 | C32 | doub | 1.41Å | 1.41Å | Aromatic |
| C33 | C39 | sing | 1.40Å | 1.42Å | Aromatic |
| C32 | C36 | sing | 1.40Å | 1.42Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | F43 | sing | 1.35Å | 1.38Å | |
| C36 | C37 | doub | 1.38Å | 1.35Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C44 | sing | 1.51Å | 1.53Å | |
| C47 | C44 | sing | 1.53Å | 1.51Å | |
| C46 | C44 | sing | 1.53Å | 1.56Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C34 | H5 | sing | 1.08Å | 1.08Å | |
| C37 | H6 | sing | 1.08Å | 1.08Å | |
| C39 | H7 | sing | 1.08Å | 1.08Å | |
| N7 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| O41 | H25 | sing | 0.97Å | 0.95Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C45 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C46 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | O20 | C21 | 108.8° | 114.2° |
| O20 | C19 | C18 | 109.3° | 109.2° |
| O20 | C19 | H11 | 109.5° | 109.6° |
| O20 | C19 | H12 | 109.5° | 109.6° |
| O20 | C21 | C22 | 105.2° | 109.3° |
| O20 | C21 | H13 | 110.5° | 109.5° |
| O20 | C21 | H14 | 110.5° | 109.5° |
| C19 | C18 | N17 | 108.0° | 108.4° |
| C19 | C18 | H9 | 109.8° | 109.7° |
| C19 | C18 | H10 | 109.8° | 109.7° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C21 | C22 | N17 | 115.7° | 108.6° |
| C22 | C21 | H13 | 110.5° | 109.5° |
| C22 | C21 | H14 | 110.5° | 109.4° |
| C21 | C22 | H15 | 107.9° | 109.7° |
| C21 | C22 | H16 | 107.9° | 109.7° |
| C18 | N17 | C22 | 118.1° | 118.1° |
| C18 | N17 | C15 | 118.0° | 121.0° |
| N17 | C18 | H9 | 109.9° | 109.7° |
| N17 | C18 | H10 | 109.8° | 109.7° |
| C22 | N17 | C15 | 123.9° | 121.0° |
| N17 | C22 | H15 | 107.9° | 109.7° |
| N17 | C22 | H16 | 107.9° | 109.4° |
| N17 | C15 | O16 | 121.4° | 120.0° |
| N17 | C15 | C12 | 120.4° | 120.0° |
| O16 | C15 | C12 | 118.1° | 120.1° |
| C15 | C12 | C11 | 119.0° | 120.5° |
| C15 | C12 | C13 | 123.2° | 120.5° |
| C12 | C11 | C10 | 120.6° | 118.5° |
| C11 | C12 | C13 | 117.7° | 119.0° |
| C12 | C11 | H3 | 119.7° | 120.7° |
| C11 | C10 | C9 | 116.2° | 119.3° |
| C11 | C10 | H2 | 121.9° | 120.3° |
| C10 | C11 | H3 | 119.7° | 120.8° |
| C12 | C13 | N14 | 121.9° | 120.5° |
| C12 | C13 | H4 | 119.1° | 119.7° |
| C10 | C9 | N14 | 122.4° | 120.9° |
| C10 | C9 | N7 | 115.9° | 119.5° |
| C9 | C10 | H2 | 121.9° | 120.3° |
| C13 | N14 | C9 | 121.2° | 121.7° |
| N14 | C13 | H4 | 119.1° | 119.8° |
| N14 | C9 | N7 | 121.8° | 119.6° |
| C9 | N7 | C2 | 128.2° | 120.0° |
| C9 | N7 | H8 | 115.9° | 119.9° |
| N7 | C2 | C1 | 111.4° | 120.4° |
| N7 | C2 | C3 | 126.9° | 120.4° |
| C2 | N7 | H8 | 115.9° | 120.0° |
| C1 | C2 | C3 | 121.6° | 119.2° |
| C2 | C1 | O8 | 124.4° | 120.2° |
| C2 | C1 | N6 | 115.3° | 119.5° |
| C2 | C3 | C4 | 119.3° | 119.7° |
| C2 | C3 | H1 | 120.3° | 120.2° |
| O8 | C1 | N6 | 120.3° | 120.3° |
| C1 | N6 | C23 | 119.4° | 119.8° |
| C1 | N6 | N5 | 123.5° | 120.4° |
| C3 | C4 | N5 | 120.4° | 120.5° |
| C3 | C4 | C24 | 120.0° | 119.8° |
| C4 | C3 | H1 | 120.3° | 120.2° |
| C23 | N6 | N5 | 117.0° | 119.8° |
| N6 | C23 | H17 | 109.5° | 109.5° |
| N6 | C23 | H18 | 109.5° | 109.5° |
| N6 | C23 | H19 | 109.5° | 109.5° |
| N6 | N5 | C4 | 119.7° | 120.8° |
| N5 | C4 | C24 | 119.5° | 119.7° |
| C4 | C24 | C25 | 118.6° | 120.1° |
| C4 | C24 | C29 | 120.1° | 120.0° |
| C24 | C25 | C26 | 122.2° | 120.0° |
| C25 | C24 | C29 | 121.3° | 119.9° |
| C24 | C25 | H20 | 118.9° | 120.0° |
| C25 | C26 | C27 | 116.0° | 120.1° |
| C26 | C25 | H20 | 118.9° | 120.0° |
| C25 | C26 | H21 | 122.0° | 120.0° |
| C24 | C29 | C40 | 126.9° | 120.1° |
| C24 | C29 | C28 | 114.0° | 119.7° |
| C26 | C27 | C28 | 121.0° | 120.2° |
| C27 | C26 | H21 | 122.0° | 119.9° |
| C26 | C27 | H22 | 119.5° | 119.9° |
| C40 | C29 | C28 | 118.8° | 120.1° |
| C29 | C40 | O41 | 110.6° | 109.5° |
| C29 | C40 | H23 | 109.2° | 109.5° |
| C29 | C40 | H24 | 109.2° | 109.5° |
| C29 | C28 | C27 | 125.4° | 120.0° |
| C29 | C28 | N30 | 119.2° | 120.0° |
| O41 | C40 | H23 | 109.2° | 109.5° |
| O41 | C40 | H24 | 109.2° | 109.5° |
| C40 | O41 | H25 | 109.5° | 114.0° |
| C27 | C28 | N30 | 115.4° | 120.0° |
| C28 | C27 | H22 | 119.5° | 119.9° |
| C28 | N30 | N35 | 113.9° | 119.1° |
| C28 | N30 | C31 | 118.9° | 119.1° |
| N30 | N35 | C34 | 118.6° | 122.7° |
| N35 | N30 | C31 | 126.8° | 121.8° |
| N35 | C34 | C33 | 121.1° | 119.9° |
| N35 | C34 | H5 | 119.4° | 120.0° |
| N30 | C31 | O42 | 122.0° | 120.6° |
| N30 | C31 | C32 | 113.4° | 118.8° |
| C34 | C33 | C32 | 120.4° | 118.6° |
| C34 | C33 | C39 | 120.3° | 121.8° |
| C33 | C34 | H5 | 119.5° | 120.0° |
| O42 | C31 | C32 | 124.5° | 120.6° |
| C31 | C32 | C33 | 119.7° | 118.2° |
| C31 | C32 | C36 | 122.9° | 122.0° |
| C32 | C33 | C39 | 119.3° | 119.6° |
| C33 | C32 | C36 | 117.3° | 119.8° |
| C33 | C39 | C38 | 120.0° | 119.7° |
| C33 | C39 | H7 | 120.0° | 120.2° |
| C32 | C36 | F43 | 118.4° | 120.3° |
| C32 | C36 | C37 | 122.8° | 119.5° |
| C39 | C38 | C37 | 120.2° | 120.8° |
| C39 | C38 | C44 | 118.4° | 119.6° |
| C38 | C39 | H7 | 120.0° | 120.1° |
| F43 | C36 | C37 | 118.8° | 120.2° |
| C36 | C37 | C38 | 120.1° | 120.7° |
| C36 | C37 | H6 | 120.0° | 119.6° |
| C37 | C38 | C44 | 121.4° | 119.6° |
| C38 | C37 | H6 | 119.9° | 119.7° |
| C38 | C44 | C47 | 110.9° | 109.5° |
| C38 | C44 | C46 | 107.3° | 109.5° |
| C38 | C44 | C45 | 110.7° | 109.5° |
| C47 | C44 | C46 | 108.1° | 109.5° |
| C47 | C44 | C45 | 112.7° | 109.4° |
| C44 | C47 | H32 | 109.5° | 109.4° |
| C44 | C47 | H33 | 109.5° | 109.5° |
| C44 | C47 | H34 | 109.5° | 109.4° |
| C46 | C44 | C45 | 106.9° | 109.5° |
| C44 | C46 | H29 | 109.5° | 109.5° |
| C44 | C46 | H30 | 109.4° | 109.5° |
| C44 | C46 | H31 | 109.5° | 109.5° |
| C44 | C45 | H26 | 109.5° | 109.5° |
| C44 | C45 | H27 | 109.4° | 109.5° |
| C44 | C45 | H28 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.7° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.4° | 109.6° |
| H15 | C22 | H16 | 109.5° | 109.8° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.4° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H23 | C40 | H24 | 109.4° | 109.5° |
| H26 | C45 | H27 | 109.5° | 109.4° |
| H26 | C45 | H28 | 109.5° | 109.5° |
| H27 | C45 | H28 | 109.5° | 109.4° |
| H29 | C46 | H30 | 109.4° | 109.4° |
| H29 | C46 | H31 | 109.5° | 109.5° |
| H30 | C46 | H31 | 109.5° | 109.4° |
| H32 | C47 | H33 | 109.5° | 109.5° |
| H32 | C47 | H34 | 109.5° | 109.5° |
| H33 | C47 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | C18 | H11 | 120.0° | 120.0° |
| O20 | C19 | C18 | H12 | 120.0° | 120.0° |
| C19 | O20 | C21 | C22 | 68.5° | 62.5° |
| O20 | C19 | C18 | N17 | 54.2° | 52.3° |
| O20 | C19 | C18 | H9 | 65.6° | 67.5° |
| O20 | C19 | C18 | H10 | 174.0° | 172.0° |
| O20 | C19 | H11 | H12 | 120.1° | 120.2° |
| C19 | O20 | C21 | H13 | 50.8° | 177.5° |
| C19 | O20 | C21 | H14 | 172.1° | 57.4° |
| C21 | O20 | C19 | C18 | 76.1° | 62.6° |
| O20 | C21 | C22 | H13 | 119.3° | 119.9° |
| O20 | C21 | C22 | H14 | 119.3° | 119.9° |
| O20 | C21 | C22 | N17 | 47.2° | 52.1° |
| C21 | O20 | C19 | H11 | 164.0° | 177.4° |
| C21 | O20 | C19 | H12 | 43.9° | 57.3° |
| O20 | C21 | H13 | H14 | 121.9° | 120.1° |
| O20 | C21 | C22 | H15 | 168.1° | 172.0° |
| O20 | C21 | C22 | H16 | 73.7° | 67.3° |
| C19 | C18 | N17 | H9 | 119.8° | 119.7° |
| C19 | C18 | N17 | H10 | 119.8° | 119.7° |
| C19 | C18 | N17 | C22 | 34.9° | 50.3° |
| C19 | C18 | N17 | C15 | 144.3° | 129.5° |
| C19 | C18 | H9 | H10 | 120.6° | 120.5° |
| C18 | C19 | H11 | H12 | 120.1° | 120.0° |
| C21 | C22 | N17 | C18 | 33.6° | 50.3° |
| C21 | C22 | N17 | H15 | 120.9° | 119.8° |
| C21 | C22 | N17 | H16 | 120.9° | 119.6° |
| C21 | C22 | N17 | C15 | 145.6° | 129.5° |
| C22 | C21 | H13 | H14 | 122.0° | 120.1° |
| C21 | C22 | H15 | H16 | 117.1° | 120.6° |
| C18 | N17 | C22 | C15 | 179.2° | 179.8° |
| C18 | N17 | C15 | O16 | 1.6° | 4.2° |
| C18 | N17 | C15 | C12 | 177.3° | 175.7° |
| N17 | C18 | H9 | H10 | 120.7° | 120.5° |
| N17 | C18 | C19 | H11 | 174.2° | 172.3° |
| N17 | C18 | C19 | H12 | 65.8° | 67.7° |
| C18 | N17 | C22 | H15 | 154.5° | 170.1° |
| C18 | N17 | C22 | H16 | 87.3° | 69.4° |
| C22 | N17 | C15 | O16 | 179.1° | 175.9° |
| C22 | N17 | C15 | C12 | 3.4° | 4.1° |
| C22 | N17 | C18 | H9 | 84.8° | 69.4° |
| C22 | N17 | C18 | H10 | 154.7° | 170.1° |
| N17 | C22 | C21 | H13 | 72.1° | 172.0° |
| N17 | C22 | C21 | H14 | 166.6° | 67.8° |
| N17 | C22 | H15 | H16 | 117.2° | 120.2° |
| N17 | C15 | O16 | C12 | 175.8° | 180.0° |
| N17 | C15 | C12 | C11 | 51.6° | 134.8° |
| N17 | C15 | C12 | C13 | 131.5° | 45.3° |
| C15 | N17 | C18 | H9 | 95.9° | 110.8° |
| C15 | N17 | C18 | H10 | 24.6° | 9.8° |
| C15 | N17 | C22 | H15 | 24.7° | 9.7° |
| C15 | N17 | C22 | H16 | 93.5° | 110.8° |
| O16 | C15 | C12 | C11 | 124.2° | 45.2° |
| O16 | C15 | C12 | C13 | 52.7° | 134.8° |
| C15 | C12 | C11 | C13 | 177.1° | 180.0° |
| C15 | C12 | C11 | C10 | 178.0° | 180.0° |
| C15 | C12 | C13 | N14 | 178.2° | 180.0° |
| C15 | C12 | C11 | H3 | 2.0° | 0.0° |
| C15 | C12 | C13 | H4 | 1.8° | 0.0° |
| C12 | C11 | C10 | H3 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 1.0° | 0.0° |
| C11 | C12 | C13 | N14 | 1.2° | 0.0° |
| C12 | C11 | C10 | H2 | 179.0° | 180.0° |
| C11 | C12 | C13 | H4 | 178.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C11 | C10 | C9 | H2 | 180.0° | 179.9° |
| C11 | C10 | C9 | N14 | 2.8° | 0.0° |
| C11 | C10 | C9 | N7 | 178.1° | 179.7° |
| C12 | C13 | N14 | H4 | 180.0° | 180.0° |
| C12 | C13 | N14 | C9 | 0.5° | 0.0° |
| C13 | C12 | C11 | H3 | 179.1° | 180.0° |
| C10 | C9 | N14 | C13 | 2.6° | 0.0° |
| C10 | C9 | N14 | N7 | 179.1° | 179.8° |
| C10 | C9 | N7 | C2 | 175.7° | 6.3° |
| C9 | C10 | C11 | H3 | 179.0° | 180.0° |
| C10 | C9 | N7 | H8 | 4.3° | 173.7° |
| C13 | N14 | C9 | N7 | 178.3° | 179.7° |
| N14 | C9 | N7 | C2 | 3.5° | 173.5° |
| N14 | C9 | C10 | H2 | 177.2° | 180.0° |
| C9 | N14 | C13 | H4 | 179.5° | 180.0° |
| N14 | C9 | N7 | H8 | 176.5° | 6.5° |
| C9 | N7 | C2 | H8 | 180.0° | 180.0° |
| C9 | N7 | C2 | C1 | 172.8° | 58.9° |
| C9 | N7 | C2 | C3 | 9.0° | 121.1° |
| N7 | C9 | C10 | H2 | 1.9° | 0.2° |
| N7 | C2 | C1 | C3 | 178.4° | 180.0° |
| N7 | C2 | C1 | O8 | 0.3° | 0.3° |
| N7 | C2 | C1 | N6 | 180.0° | 179.9° |
| N7 | C2 | C3 | C4 | 179.8° | 179.9° |
| N7 | C2 | C3 | H1 | 0.2° | 0.0° |
| C2 | C1 | O8 | N6 | 179.6° | 179.7° |
| C1 | C2 | C3 | C4 | 2.1° | 0.1° |
| C2 | C1 | N6 | C23 | 174.8° | 180.0° |
| C2 | C1 | N6 | N5 | 1.2° | 0.0° |
| C1 | C2 | C3 | H1 | 177.9° | 179.9° |
| C1 | C2 | N7 | H8 | 7.2° | 121.1° |
| C3 | C2 | C1 | O8 | 178.7° | 179.7° |
| C3 | C2 | C1 | N6 | 1.7° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | N5 | 0.3° | 0.1° |
| C2 | C3 | C4 | C24 | 177.1° | 180.0° |
| C3 | C2 | N7 | H8 | 171.0° | 58.9° |
| O8 | C1 | N6 | C23 | 5.6° | 0.4° |
| O8 | C1 | N6 | N5 | 178.5° | 179.7° |
| C1 | N6 | C23 | N5 | 176.2° | 179.9° |
| C1 | N6 | N5 | C4 | 3.5° | 0.1° |
| C1 | N6 | C23 | H17 | 176.2° | 90.1° |
| C1 | N6 | C23 | H18 | 56.2° | 150.0° |
| C1 | N6 | C23 | H19 | 63.8° | 30.0° |
| C3 | C4 | N5 | N6 | 3.1° | 0.1° |
| C3 | C4 | N5 | C24 | 176.8° | 179.9° |
| C3 | C4 | C24 | C25 | 44.4° | 114.3° |
| C3 | C4 | C24 | C29 | 136.5° | 66.0° |
| C23 | N6 | N5 | C4 | 172.5° | 180.0° |
| N6 | C23 | H17 | H18 | 120.0° | 120.0° |
| N6 | C23 | H17 | H19 | 120.0° | 120.0° |
| N6 | C23 | H18 | H19 | 120.0° | 120.0° |
| N6 | N5 | C4 | C24 | 179.9° | 180.0° |
| N5 | N6 | C23 | H17 | 0.0° | 90.0° |
| N5 | N6 | C23 | H18 | 120.0° | 29.9° |
| N5 | N6 | C23 | H19 | 120.0° | 149.9° |
| N5 | C4 | C24 | C25 | 132.5° | 65.6° |
| N5 | C4 | C24 | C29 | 46.6° | 114.1° |
| N5 | C4 | C3 | H1 | 179.7° | 180.0° |
| C4 | C24 | C25 | C29 | 179.1° | 179.7° |
| C4 | C24 | C25 | C26 | 178.6° | 180.0° |
| C4 | C24 | C29 | C40 | 7.4° | 0.0° |
| C4 | C24 | C29 | C28 | 179.1° | 179.8° |
| C24 | C4 | C3 | H1 | 2.9° | 0.1° |
| C4 | C24 | C25 | H20 | 1.4° | 0.1° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 2.9° | 0.0° |
| C25 | C24 | C29 | C40 | 173.5° | 179.7° |
| C25 | C24 | C29 | C28 | 0.0° | 0.5° |
| C24 | C25 | C26 | H21 | 177.1° | 179.9° |
| C26 | C25 | C24 | C29 | 2.3° | 0.3° |
| C25 | C26 | C27 | H21 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.3° | 0.0° |
| C25 | C26 | C27 | H22 | 178.7° | 180.0° |
| C24 | C29 | C40 | C28 | 173.2° | 179.8° |
| C24 | C29 | C40 | O41 | 110.9° | 94.4° |
| C24 | C29 | C28 | C27 | 1.6° | 0.5° |
| C24 | C29 | C28 | N30 | 179.1° | 179.7° |
| C29 | C24 | C25 | H20 | 177.7° | 179.7° |
| C24 | C29 | C40 | H23 | 128.9° | 145.6° |
| C24 | C29 | C40 | H24 | 9.3° | 25.6° |
| C26 | C27 | C28 | C29 | 1.0° | 0.2° |
| C26 | C27 | C28 | H22 | 180.0° | 180.0° |
| C26 | C27 | C28 | N30 | 179.7° | 180.0° |
| C27 | C26 | C25 | H20 | 177.1° | 180.0° |
| C29 | C40 | O41 | H23 | 120.2° | 120.0° |
| C29 | C40 | O41 | H24 | 120.2° | 120.1° |
| C40 | C29 | C28 | C27 | 172.5° | 179.7° |
| C40 | C29 | C28 | N30 | 6.8° | 0.1° |
| C29 | C40 | H23 | H24 | 119.5° | 120.0° |
| C29 | C40 | O41 | H25 | 180.0° | 179.9° |
| C28 | C29 | C40 | O41 | 75.8° | 85.3° |
| C29 | C28 | C27 | N30 | 179.3° | 179.8° |
| C29 | C28 | N30 | N35 | 76.4° | 55.2° |
| C29 | C28 | N30 | C31 | 97.1° | 124.8° |
| C29 | C28 | C27 | H22 | 179.0° | 179.8° |
| C28 | C29 | C40 | H23 | 44.4° | 34.6° |
| C28 | C29 | C40 | H24 | 164.0° | 154.6° |
| O41 | C40 | H23 | H24 | 119.5° | 120.0° |
| C27 | C28 | N30 | N35 | 103.0° | 125.0° |
| C27 | C28 | N30 | C31 | 83.6° | 55.0° |
| C28 | C27 | C26 | H21 | 178.7° | 180.0° |
| C28 | N30 | N35 | C31 | 172.8° | 180.0° |
| C28 | N30 | N35 | C34 | 174.9° | 179.7° |
| C28 | N30 | C31 | O42 | 6.2° | 0.0° |
| C28 | N30 | C31 | C32 | 176.2° | 180.0° |
| N30 | C28 | C27 | H22 | 0.3° | 0.0° |
| N30 | N35 | C34 | C33 | 1.6° | 0.3° |
| N35 | N30 | C31 | O42 | 178.7° | 180.0° |
| N35 | N30 | C31 | C32 | 3.7° | 0.0° |
| N30 | N35 | C34 | H5 | 178.4° | 179.7° |
| C34 | N35 | N30 | C31 | 2.1° | 0.3° |
| N35 | C34 | C33 | H5 | 180.0° | 179.9° |
| N35 | C34 | C33 | C32 | 3.1° | 0.1° |
| N35 | C34 | C33 | C39 | 176.5° | 180.0° |
| N30 | C31 | O42 | C32 | 177.3° | 180.0° |
| N30 | C31 | C32 | C33 | 1.9° | 0.2° |
| N30 | C31 | C32 | C36 | 179.0° | 180.0° |
| C34 | C33 | C32 | C31 | 1.3° | 0.2° |
| C34 | C33 | C32 | C39 | 179.6° | 180.0° |
| C34 | C33 | C32 | C36 | 176.0° | 180.0° |
| C34 | C33 | C39 | C38 | 179.7° | 179.9° |
| C34 | C33 | C39 | H7 | 0.3° | 0.1° |
| O42 | C31 | C32 | C33 | 179.4° | 179.8° |
| O42 | C31 | C32 | C36 | 3.5° | 0.0° |
| C31 | C32 | C33 | C36 | 177.2° | 179.8° |
| C31 | C32 | C33 | C39 | 178.4° | 179.8° |
| C31 | C32 | C36 | F43 | 3.5° | 0.2° |
| C31 | C32 | C36 | C37 | 179.0° | 179.7° |
| C32 | C33 | C39 | C38 | 0.7° | 0.0° |
| C33 | C32 | C36 | F43 | 173.6° | 180.0° |
| C33 | C32 | C36 | C37 | 3.9° | 0.0° |
| C32 | C33 | C34 | H5 | 176.9° | 180.0° |
| C32 | C33 | C39 | H7 | 179.3° | 180.0° |
| C39 | C33 | C32 | C36 | 4.4° | 0.0° |
| C33 | C39 | C38 | H7 | 180.0° | 180.0° |
| C33 | C39 | C38 | C37 | 4.0° | 0.0° |
| C33 | C39 | C38 | C44 | 176.6° | 180.0° |
| C39 | C33 | C34 | H5 | 3.5° | 0.0° |
| C32 | C36 | F43 | C37 | 177.6° | 180.0° |
| C32 | C36 | C37 | C38 | 0.7° | 0.0° |
| C32 | C36 | C37 | H6 | 179.3° | 179.9° |
| C39 | C38 | C37 | C36 | 4.7° | 0.0° |
| C39 | C38 | C37 | C44 | 179.5° | 180.0° |
| C39 | C38 | C44 | C47 | 54.6° | 60.0° |
| C39 | C38 | C44 | C46 | 63.3° | 60.0° |
| C39 | C38 | C44 | C45 | 179.6° | 180.0° |
| C39 | C38 | C37 | H6 | 175.4° | 180.0° |
| F43 | C36 | C37 | C38 | 178.2° | 180.0° |
| F43 | C36 | C37 | H6 | 1.8° | 0.0° |
| C36 | C37 | C38 | H6 | 180.0° | 179.9° |
| C36 | C37 | C38 | C44 | 175.9° | 180.0° |
| C37 | C38 | C44 | C47 | 124.9° | 120.0° |
| C37 | C38 | C44 | C46 | 117.2° | 120.0° |
| C37 | C38 | C44 | C45 | 0.9° | 0.0° |
| C37 | C38 | C39 | H7 | 176.0° | 179.9° |
| C38 | C44 | C47 | C46 | 117.4° | 120.0° |
| C38 | C44 | C47 | C45 | 124.7° | 120.0° |
| C38 | C44 | C46 | C45 | 118.8° | 120.0° |
| C44 | C38 | C37 | H6 | 4.1° | 0.0° |
| C44 | C38 | C39 | H7 | 3.5° | 0.0° |
| C38 | C44 | C45 | H26 | 180.0° | 60.1° |
| C38 | C44 | C45 | H27 | 60.0° | 180.0° |
| C38 | C44 | C45 | H28 | 60.0° | 60.0° |
| C38 | C44 | C46 | H29 | 180.0° | 60.0° |
| C38 | C44 | C46 | H30 | 60.0° | 180.0° |
| C38 | C44 | C46 | H31 | 60.0° | 60.0° |
| C38 | C44 | C47 | H32 | 180.0° | 60.0° |
| C38 | C44 | C47 | H33 | 60.0° | 180.0° |
| C38 | C44 | C47 | H34 | 60.0° | 60.0° |
| C47 | C44 | C46 | C45 | 121.6° | 120.0° |
| C47 | C44 | C45 | H26 | 55.2° | 179.9° |
| C47 | C44 | C45 | H27 | 64.8° | 60.0° |
| C47 | C44 | C45 | H28 | 175.2° | 60.0° |
| C47 | C44 | C46 | H29 | 60.4° | 60.0° |
| C47 | C44 | C46 | H30 | 179.7° | 60.0° |
| C47 | C44 | C46 | H31 | 59.7° | 179.9° |
| C44 | C47 | H32 | H33 | 120.0° | 120.0° |
| C44 | C47 | H32 | H34 | 120.0° | 119.9° |
| C44 | C47 | H33 | H34 | 120.0° | 120.0° |
| C46 | C44 | C45 | H26 | 63.4° | 60.0° |
| C46 | C44 | C45 | H27 | 176.6° | 60.0° |
| C46 | C44 | C45 | H28 | 56.6° | 180.0° |
| C44 | C46 | H29 | H30 | 120.0° | 120.0° |
| C44 | C46 | H29 | H31 | 120.0° | 120.1° |
| C44 | C46 | H30 | H31 | 120.0° | 120.0° |
| C46 | C44 | C47 | H32 | 62.6° | 180.0° |
| C46 | C44 | C47 | H33 | 57.4° | 60.0° |
| C46 | C44 | C47 | H34 | 177.4° | 60.0° |
| C44 | C45 | H26 | H27 | 120.0° | 120.0° |
| C44 | C45 | H26 | H28 | 120.0° | 120.0° |
| C44 | C45 | H27 | H28 | 120.0° | 120.0° |
| C45 | C44 | C46 | H29 | 61.2° | 180.0° |
| C45 | C44 | C46 | H30 | 58.8° | 60.0° |
| C45 | C44 | C46 | H31 | 178.8° | 60.0° |
| C45 | C44 | C47 | H32 | 55.4° | 60.1° |
| C45 | C44 | C47 | H33 | 175.4° | 60.0° |
| C45 | C44 | C47 | H34 | 64.7° | 180.0° |
| H2 | C10 | C11 | H3 | 1.0° | 0.0° |
| H9 | C18 | C19 | H11 | 54.4° | 52.5° |
| H9 | C18 | C19 | H12 | 174.4° | 172.6° |
| H10 | C18 | C19 | H11 | 66.1° | 68.0° |
| H10 | C18 | C19 | H12 | 54.0° | 52.0° |
| H13 | C21 | C22 | H15 | 48.8° | 68.1° |
| H13 | C21 | C22 | H16 | 167.0° | 52.6° |
| H14 | C21 | C22 | H15 | 72.5° | 52.1° |
| H14 | C21 | C22 | H16 | 45.7° | 172.8° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
| H20 | C25 | C26 | H21 | 2.9° | 0.0° |
| H21 | C26 | C27 | H22 | 1.3° | 0.0° |
| H23 | C40 | O41 | H25 | 59.8° | 60.0° |
| H24 | C40 | O41 | H25 | 59.8° | 60.0° |
| H26 | C45 | H27 | H28 | 120.0° | 120.0° |
| H29 | C46 | H30 | H31 | 120.0° | 120.0° |
| H32 | C47 | H33 | H34 | 120.0° | 120.0° |
