M6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.54Å | 1.35Å | |
| C13 | C12 | sing | 1.55Å | 1.55Å | |
| C15 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | O23 | doub | 1.21Å | 1.18Å | |
| C22 | N21 | sing | 1.35Å | 1.45Å | |
| C22 | C24 | sing | 1.48Å | 1.53Å | |
| C24 | C25 | sing | 1.42Å | 1.39Å | Aromatic |
| C24 | N29 | doub | 1.31Å | 1.32Å | Aromatic |
| C26 | C25 | doub | 1.35Å | 1.39Å | Aromatic |
| C26 | O28 | sing | 1.34Å | 1.34Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C30 | sing | 1.51Å | 1.53Å | |
| C02 | N03 | sing | 1.47Å | 1.45Å | |
| C04 | N03 | sing | 1.35Å | 1.46Å | |
| C04 | O05 | doub | 1.21Å | 1.19Å | |
| C04 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | N21 | sing | 1.46Å | 1.45Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C08 | N10 | sing | 1.35Å | 1.46Å | |
| C08 | O09 | doub | 1.21Å | 1.18Å | |
| C11 | N10 | sing | 1.47Å | 1.33Å | |
| C11 | C12 | sing | 1.55Å | 1.57Å | |
| C14 | N10 | sing | 1.47Å | 1.63Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | N32 | sing | 1.35Å | 1.45Å | |
| C30 | O31 | doub | 1.21Å | 1.19Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | N32 | sing | 1.46Å | 1.46Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | F38 | sing | 1.35Å | 1.36Å | |
| C37 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | F41 | sing | 1.35Å | 1.36Å | |
| N29 | O28 | sing | 1.21Å | 1.36Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| N03 | H29 | sing | 0.97Å | 1.00Å | |
| N21 | H30 | sing | 0.97Å | 1.00Å | |
| N32 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 103.7° | 102.9° |
| C13 | C14 | C15 | 108.0° | 109.9° |
| C13 | C14 | N10 | 107.0° | 107.3° |
| C14 | C13 | H1 | 110.9° | 110.7° |
| C14 | C13 | H2 | 110.9° | 110.7° |
| C13 | C14 | H16 | 112.3° | 109.9° |
| C13 | C12 | C11 | 102.9° | 101.6° |
| C12 | C13 | H1 | 110.9° | 110.7° |
| C12 | C13 | H2 | 110.9° | 110.7° |
| C13 | C12 | H14 | 111.1° | 111.0° |
| C13 | C12 | H15 | 111.1° | 111.0° |
| C20 | C15 | C16 | 120.2° | 119.9° |
| C20 | C15 | C14 | 119.4° | 120.0° |
| C15 | C20 | C19 | 120.2° | 120.0° |
| C15 | C20 | H4 | 119.9° | 119.9° |
| C16 | C15 | C14 | 120.4° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.0° |
| C15 | C16 | H17 | 120.1° | 120.0° |
| C15 | C14 | N10 | 111.4° | 109.9° |
| C15 | C14 | H16 | 109.8° | 109.9° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C16 | C17 | H3 | 120.0° | 120.0° |
| C17 | C16 | H17 | 120.2° | 120.0° |
| C20 | C19 | C18 | 119.7° | 120.0° |
| C19 | C20 | H4 | 119.9° | 120.0° |
| C20 | C19 | H19 | 120.2° | 120.0° |
| O23 | C22 | N21 | 119.8° | 120.0° |
| O23 | C22 | C24 | 120.4° | 120.0° |
| N21 | C22 | C24 | 119.7° | 120.0° |
| C22 | N21 | C06 | 119.4° | 120.0° |
| C22 | N21 | H30 | 120.3° | 120.1° |
| C22 | C24 | C25 | 126.6° | 126.9° |
| C22 | C24 | N29 | 125.9° | 126.9° |
| C25 | C24 | N29 | 107.5° | 106.2° |
| C24 | C25 | C26 | 107.3° | 103.9° |
| C24 | C25 | H20 | 126.3° | 128.0° |
| C24 | N29 | O28 | 109.5° | 111.5° |
| C25 | C26 | O28 | 106.9° | 106.6° |
| C25 | C26 | C27 | 126.6° | 126.6° |
| C26 | C25 | H20 | 126.3° | 128.1° |
| O28 | C26 | C27 | 126.5° | 126.7° |
| C26 | O28 | N29 | 108.7° | 111.8° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.4° |
| C26 | C27 | H23 | 109.5° | 109.5° |
| C01 | C02 | C30 | 110.3° | 109.4° |
| C01 | C02 | N03 | 108.3° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 109.9° | 109.5° |
| C30 | C02 | N03 | 107.6° | 109.5° |
| C02 | C30 | N32 | 121.0° | 120.0° |
| C02 | C30 | O31 | 120.4° | 120.0° |
| C30 | C02 | H8 | 109.7° | 109.5° |
| C02 | N03 | C04 | 120.9° | 120.0° |
| N03 | C02 | H8 | 110.9° | 109.5° |
| C02 | N03 | H29 | 119.6° | 120.0° |
| N03 | C04 | O05 | 120.4° | 120.0° |
| N03 | C04 | C06 | 118.8° | 120.0° |
| C04 | N03 | H29 | 119.6° | 120.0° |
| O05 | C04 | C06 | 120.9° | 120.0° |
| C04 | C06 | C07 | 107.9° | 109.4° |
| C04 | C06 | N21 | 108.9° | 109.5° |
| C04 | C06 | H9 | 109.7° | 109.5° |
| C07 | C06 | N21 | 109.7° | 109.5° |
| C06 | C07 | C08 | 118.7° | 109.4° |
| C07 | C06 | H9 | 109.7° | 109.4° |
| C06 | C07 | H10 | 107.1° | 109.5° |
| C06 | C07 | H11 | 107.1° | 109.5° |
| N21 | C06 | H9 | 110.8° | 109.5° |
| C06 | N21 | H30 | 120.3° | 120.0° |
| C07 | C08 | N10 | 119.3° | 119.9° |
| C07 | C08 | O09 | 120.6° | 120.0° |
| C08 | C07 | H10 | 107.1° | 109.5° |
| C08 | C07 | H11 | 107.1° | 109.5° |
| N10 | C08 | O09 | 120.1° | 120.0° |
| C08 | N10 | C11 | 125.9° | 125.7° |
| C08 | N10 | C14 | 126.0° | 125.6° |
| N10 | C11 | C12 | 105.6° | 104.8° |
| C11 | N10 | C14 | 108.0° | 108.7° |
| N10 | C11 | H12 | 110.4° | 110.4° |
| N10 | C11 | H13 | 110.5° | 110.4° |
| C12 | C11 | H12 | 110.5° | 110.3° |
| C12 | C11 | H13 | 110.4° | 110.4° |
| C11 | C12 | H14 | 111.1° | 111.0° |
| C11 | C12 | H15 | 111.1° | 111.0° |
| N10 | C14 | H16 | 108.4° | 110.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| N32 | C30 | O31 | 118.6° | 120.0° |
| C30 | N32 | C33 | 119.0° | 120.0° |
| C30 | N32 | H31 | 120.5° | 120.0° |
| C34 | C33 | N32 | 109.9° | 109.5° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C33 | C34 | C40 | 120.2° | 120.0° |
| C34 | C33 | H24 | 109.4° | 109.5° |
| C34 | C33 | H25 | 109.4° | 109.5° |
| N32 | C33 | H24 | 109.4° | 109.5° |
| N32 | C33 | H25 | 109.4° | 109.5° |
| C33 | N32 | H31 | 120.5° | 120.0° |
| C35 | C34 | C40 | 119.9° | 120.0° |
| C34 | C35 | C36 | 119.8° | 120.1° |
| C34 | C35 | H26 | 120.1° | 120.0° |
| C34 | C40 | C39 | 120.3° | 120.0° |
| C34 | C40 | F41 | 120.0° | 120.0° |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C36 | C35 | H26 | 120.1° | 120.0° |
| C35 | C36 | H27 | 120.0° | 120.0° |
| C36 | C37 | F38 | 120.1° | 120.0° |
| C36 | C37 | C39 | 120.2° | 120.0° |
| C37 | C36 | H27 | 120.0° | 120.0° |
| F38 | C37 | C39 | 119.8° | 120.0° |
| C37 | C39 | C40 | 119.7° | 119.9° |
| C37 | C39 | H28 | 120.2° | 120.0° |
| C39 | C40 | F41 | 119.6° | 120.0° |
| C40 | C39 | H28 | 120.2° | 120.0° |
| H1 | C13 | H2 | 109.5° | 110.8° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 110.4° |
| H14 | C12 | H15 | 109.5° | 110.9° |
| H21 | C27 | H22 | 109.5° | 109.4° |
| H21 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H1 | 119.1° | 118.3° |
| C14 | C13 | C12 | H2 | 119.1° | 118.4° |
| C13 | C14 | C15 | C20 | 79.8° | 101.5° |
| C13 | C14 | C15 | C16 | 99.0° | 78.3° |
| C13 | C14 | C15 | N10 | 117.2° | 117.8° |
| C13 | C14 | C15 | H16 | 122.8° | 121.0° |
| C13 | C14 | N10 | C08 | 170.0° | 178.9° |
| C13 | C14 | N10 | C11 | 9.4° | 1.1° |
| C14 | C13 | C12 | C11 | 36.0° | 35.5° |
| C13 | C14 | N10 | H16 | 121.3° | 119.5° |
| C14 | C13 | H1 | H2 | 122.6° | 123.2° |
| C14 | C13 | C12 | H14 | 155.0° | 82.6° |
| C14 | C13 | C12 | H15 | 82.9° | 153.6° |
| C12 | C13 | C14 | C15 | 92.1° | 141.6° |
| C13 | C12 | C11 | N10 | 30.3° | 37.0° |
| C13 | C12 | C11 | H14 | 118.9° | 118.1° |
| C13 | C12 | C11 | H15 | 118.9° | 118.1° |
| C12 | C13 | C14 | N10 | 28.0° | 22.2° |
| C12 | C13 | H1 | H2 | 122.7° | 123.3° |
| C13 | C12 | C11 | H12 | 149.7° | 155.9° |
| C13 | C12 | C11 | H13 | 89.1° | 81.8° |
| C13 | C12 | H14 | H15 | 123.1° | 123.9° |
| C12 | C13 | C14 | H16 | 146.7° | 97.3° |
| C20 | C15 | C16 | C14 | 178.8° | 179.7° |
| C20 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C20 | C19 | H4 | 180.0° | 179.9° |
| C20 | C15 | C14 | N10 | 163.0° | 140.7° |
| C15 | C20 | C19 | C18 | 0.2° | 0.1° |
| C20 | C15 | C14 | H16 | 43.0° | 19.6° |
| C20 | C15 | C16 | H17 | 179.3° | 180.0° |
| C15 | C20 | C19 | H19 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C20 | C19 | 0.6° | 0.0° |
| C16 | C15 | C14 | N10 | 18.2° | 39.5° |
| C15 | C16 | C17 | H3 | 179.7° | 180.0° |
| C16 | C15 | C20 | H4 | 179.4° | 179.9° |
| C16 | C15 | C14 | H16 | 138.2° | 160.7° |
| C14 | C15 | C16 | C17 | 179.4° | 179.7° |
| C14 | C15 | C20 | C19 | 179.4° | 179.7° |
| C15 | C14 | N10 | C08 | 72.1° | 61.7° |
| C15 | C14 | N10 | C11 | 108.5° | 118.3° |
| C15 | C14 | N10 | H16 | 120.9° | 121.1° |
| C15 | C14 | C13 | H1 | 148.8° | 23.3° |
| C15 | C14 | C13 | H2 | 27.0° | 100.0° |
| C14 | C15 | C20 | H4 | 0.6° | 0.2° |
| C14 | C15 | C16 | H17 | 0.6° | 0.3° |
| C18 | C17 | C16 | H3 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C16 | H17 | 179.7° | 180.0° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| O23 | C22 | N21 | C24 | 179.7° | 180.0° |
| O23 | C22 | C24 | C25 | 22.2° | 0.0° |
| O23 | C22 | C24 | N29 | 158.3° | 179.8° |
| O23 | C22 | N21 | C06 | 0.1° | 0.0° |
| O23 | C22 | N21 | H30 | 179.9° | 179.9° |
| N21 | C22 | C24 | C25 | 157.5° | 180.0° |
| N21 | C22 | C24 | N29 | 22.0° | 0.2° |
| C22 | N21 | C06 | C04 | 75.9° | 60.0° |
| C22 | N21 | C06 | C07 | 166.2° | 60.0° |
| C22 | N21 | C06 | H30 | 180.0° | 180.0° |
| C22 | N21 | C06 | H9 | 44.9° | 180.0° |
| C22 | C24 | C25 | N29 | 179.6° | 179.8° |
| C22 | C24 | C25 | C26 | 179.8° | 179.7° |
| C24 | C22 | N21 | C06 | 179.6° | 180.0° |
| C22 | C24 | N29 | O28 | 179.8° | 179.7° |
| C22 | C24 | C25 | H20 | 0.2° | 0.0° |
| C24 | C22 | N21 | H30 | 0.4° | 0.0° |
| C24 | C25 | C26 | H20 | 180.0° | 179.8° |
| C24 | C25 | C26 | O28 | 0.2° | 0.3° |
| C24 | C25 | C26 | C27 | 179.8° | 179.7° |
| C25 | C24 | N29 | O28 | 0.2° | 0.4° |
| N29 | C24 | C25 | C26 | 0.2° | 0.4° |
| C24 | N29 | O28 | C26 | 0.1° | 0.3° |
| N29 | C24 | C25 | H20 | 179.8° | 179.8° |
| C25 | C26 | O28 | C27 | 180.0° | 180.0° |
| C25 | C26 | O28 | N29 | 0.0° | 0.0° |
| C25 | C26 | C27 | H21 | 180.0° | 90.1° |
| C25 | C26 | C27 | H22 | 60.0° | 150.0° |
| C25 | C26 | C27 | H23 | 60.0° | 30.0° |
| O28 | C26 | C25 | H20 | 179.8° | 180.0° |
| O28 | C26 | C27 | H21 | 0.0° | 89.9° |
| O28 | C26 | C27 | H22 | 120.0° | 30.0° |
| O28 | C26 | C27 | H23 | 120.0° | 150.0° |
| C27 | C26 | O28 | N29 | 180.0° | 180.0° |
| C27 | C26 | C25 | H20 | 0.2° | 0.0° |
| C26 | C27 | H21 | H22 | 120.0° | 119.9° |
| C26 | C27 | H21 | H23 | 120.0° | 120.1° |
| C26 | C27 | H22 | H23 | 120.0° | 120.0° |
| C01 | C02 | C30 | N03 | 118.0° | 120.0° |
| C01 | C02 | C30 | H8 | 121.2° | 120.0° |
| C01 | C02 | N03 | H8 | 120.7° | 120.0° |
| C01 | C02 | N03 | C04 | 135.1° | 85.0° |
| C01 | C02 | C30 | N32 | 104.0° | 60.0° |
| C01 | C02 | C30 | O31 | 76.4° | 120.1° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | N03 | H29 | 44.9° | 94.9° |
| C30 | C02 | N03 | H8 | 120.1° | 120.0° |
| C30 | C02 | N03 | C04 | 105.6° | 155.1° |
| C02 | C30 | N32 | O31 | 179.7° | 179.9° |
| C02 | C30 | N32 | C33 | 179.9° | 179.9° |
| C30 | C02 | C01 | H5 | 180.0° | 60.0° |
| C30 | C02 | C01 | H6 | 60.0° | 60.0° |
| C30 | C02 | C01 | H7 | 60.0° | 180.0° |
| C30 | C02 | N03 | H29 | 74.4° | 25.0° |
| C02 | C30 | N32 | H31 | 0.1° | 0.0° |
| C02 | N03 | C04 | H29 | 180.0° | 179.9° |
| C02 | N03 | C04 | O05 | 0.6° | 0.1° |
| C02 | N03 | C04 | C06 | 179.2° | 180.0° |
| N03 | C02 | C30 | N32 | 138.0° | 180.0° |
| N03 | C02 | C30 | O31 | 41.6° | 0.1° |
| N03 | C02 | C01 | H5 | 62.4° | 60.0° |
| N03 | C02 | C01 | H6 | 57.6° | 180.0° |
| N03 | C02 | C01 | H7 | 177.6° | 60.0° |
| N03 | C04 | O05 | C06 | 179.8° | 180.0° |
| N03 | C04 | C06 | C07 | 96.7° | 80.0° |
| N03 | C04 | C06 | N21 | 144.3° | 160.0° |
| C04 | N03 | C02 | H8 | 14.5° | 35.0° |
| N03 | C04 | C06 | H9 | 22.8° | 39.9° |
| O05 | C04 | C06 | C07 | 83.1° | 100.0° |
| O05 | C04 | C06 | N21 | 35.9° | 20.0° |
| O05 | C04 | C06 | H9 | 157.3° | 140.1° |
| O05 | C04 | N03 | H29 | 179.4° | 180.0° |
| C04 | C06 | C07 | N21 | 118.5° | 120.0° |
| C04 | C06 | C07 | H9 | 119.5° | 120.0° |
| C04 | C06 | N21 | H9 | 120.8° | 120.1° |
| C04 | C06 | C07 | C08 | 165.1° | 175.0° |
| C04 | C06 | C07 | H10 | 73.6° | 65.0° |
| C04 | C06 | C07 | H11 | 43.7° | 55.0° |
| C06 | C04 | N03 | H29 | 0.8° | 0.0° |
| C04 | C06 | N21 | H30 | 104.1° | 120.0° |
| C07 | C06 | N21 | H9 | 121.3° | 120.0° |
| C06 | C07 | C08 | H10 | 121.3° | 120.0° |
| C06 | C07 | C08 | H11 | 121.3° | 120.0° |
| C06 | C07 | C08 | N10 | 142.1° | 180.0° |
| C06 | C07 | C08 | O09 | 38.3° | 0.0° |
| C06 | C07 | H10 | H11 | 115.8° | 120.0° |
| C07 | C06 | N21 | H30 | 13.8° | 120.0° |
| N21 | C06 | C07 | C08 | 76.5° | 65.0° |
| N21 | C06 | C07 | H10 | 44.8° | 55.0° |
| N21 | C06 | C07 | H11 | 162.2° | 175.0° |
| C07 | C08 | N10 | O09 | 179.6° | 180.0° |
| C07 | C08 | N10 | C11 | 179.9° | 0.0° |
| C07 | C08 | N10 | C14 | 0.9° | 180.0° |
| C08 | C07 | C06 | H9 | 45.5° | 55.0° |
| C08 | C07 | H10 | H11 | 115.8° | 120.0° |
| C08 | N10 | C11 | C14 | 179.4° | 180.0° |
| C08 | N10 | C11 | C12 | 166.7° | 155.9° |
| N10 | C08 | C07 | H10 | 20.8° | 60.0° |
| N10 | C08 | C07 | H11 | 96.6° | 60.0° |
| C08 | N10 | C11 | H12 | 47.3° | 37.1° |
| C08 | N10 | C11 | H13 | 73.9° | 85.3° |
| C08 | N10 | C14 | H16 | 48.7° | 59.5° |
| O09 | C08 | N10 | C11 | 0.3° | 180.0° |
| O09 | C08 | N10 | C14 | 179.5° | 0.0° |
| O09 | C08 | C07 | H10 | 159.6° | 120.0° |
| O09 | C08 | C07 | H11 | 83.0° | 120.0° |
| N10 | C11 | C12 | H12 | 119.4° | 118.9° |
| N10 | C11 | C12 | H13 | 119.4° | 118.9° |
| N10 | C11 | H12 | H13 | 121.8° | 122.3° |
| N10 | C11 | C12 | H14 | 149.2° | 81.1° |
| N10 | C11 | C12 | H15 | 88.6° | 155.1° |
| C11 | N10 | C14 | H16 | 130.6° | 120.6° |
| C12 | C11 | N10 | C14 | 13.9° | 24.1° |
| C11 | C12 | C13 | H1 | 83.1° | 82.8° |
| C11 | C12 | C13 | H2 | 155.1° | 153.8° |
| C12 | C11 | H12 | H13 | 121.8° | 122.2° |
| C11 | C12 | H14 | H15 | 123.1° | 123.9° |
| N10 | C14 | C13 | H1 | 91.1° | 96.2° |
| N10 | C14 | C13 | H2 | 147.1° | 140.6° |
| C14 | N10 | C11 | H12 | 133.3° | 143.0° |
| C14 | N10 | C11 | H13 | 105.5° | 94.7° |
| C19 | C18 | C17 | H3 | 179.9° | 180.0° |
| C18 | C19 | C20 | H4 | 179.8° | 180.0° |
| C30 | N32 | C33 | C34 | 138.3° | 180.0° |
| C30 | N32 | C33 | H31 | 180.0° | 179.9° |
| N32 | C30 | C02 | H8 | 17.2° | 59.9° |
| C30 | N32 | C33 | H24 | 18.2° | 60.0° |
| C30 | N32 | C33 | H25 | 101.6° | 60.0° |
| O31 | C30 | N32 | C33 | 0.2° | 0.0° |
| O31 | C30 | C02 | H8 | 162.4° | 119.9° |
| O31 | C30 | N32 | H31 | 179.8° | 179.9° |
| C34 | C33 | N32 | H24 | 120.1° | 120.0° |
| C34 | C33 | N32 | H25 | 120.1° | 120.0° |
| C33 | C34 | C35 | C40 | 179.9° | 179.7° |
| C33 | C34 | C35 | C36 | 179.8° | 179.9° |
| C33 | C34 | C40 | C39 | 180.0° | 179.7° |
| C33 | C34 | C40 | F41 | 0.2° | 0.1° |
| C34 | C33 | H24 | H25 | 119.8° | 120.0° |
| C33 | C34 | C35 | H26 | 0.2° | 0.0° |
| C34 | C33 | N32 | H31 | 41.7° | 0.1° |
| N32 | C33 | C34 | C35 | 95.6° | 105.0° |
| N32 | C33 | C34 | C40 | 84.3° | 75.3° |
| N32 | C33 | H24 | H25 | 119.8° | 120.0° |
| C34 | C35 | C36 | H26 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.4° | 0.1° |
| C35 | C34 | C40 | C39 | 0.0° | 0.6° |
| C35 | C34 | C40 | F41 | 179.9° | 179.7° |
| C35 | C34 | C33 | H24 | 144.3° | 135.0° |
| C35 | C34 | C33 | H25 | 24.5° | 15.0° |
| C34 | C35 | C36 | H27 | 179.6° | 179.9° |
| C40 | C34 | C35 | C36 | 0.3° | 0.3° |
| C34 | C40 | C39 | C37 | 0.1° | 0.5° |
| C34 | C40 | C39 | F41 | 179.9° | 179.8° |
| C40 | C34 | C33 | H24 | 35.7° | 44.7° |
| C40 | C34 | C33 | H25 | 155.6° | 164.7° |
| C40 | C34 | C35 | H26 | 179.7° | 179.7° |
| C34 | C40 | C39 | H28 | 179.9° | 179.6° |
| C35 | C36 | C37 | H27 | 180.0° | 180.0° |
| C35 | C36 | C37 | F38 | 179.6° | 180.0° |
| C35 | C36 | C37 | C39 | 0.3° | 0.0° |
| C36 | C37 | F38 | C39 | 180.0° | 180.0° |
| C36 | C37 | C39 | C40 | 0.1° | 0.2° |
| C37 | C36 | C35 | H26 | 179.6° | 180.0° |
| C36 | C37 | C39 | H28 | 179.9° | 179.9° |
| F38 | C37 | C39 | C40 | 179.9° | 179.8° |
| F38 | C37 | C36 | H27 | 0.4° | 0.0° |
| F38 | C37 | C39 | H28 | 0.1° | 0.1° |
| C37 | C39 | C40 | H28 | 180.0° | 179.8° |
| C37 | C39 | C40 | F41 | 179.8° | 179.7° |
| C39 | C37 | C36 | H27 | 179.6° | 180.0° |
| F41 | C40 | C39 | H28 | 0.2° | 0.1° |
| H1 | C13 | C12 | H14 | 35.9° | 159.1° |
| H1 | C13 | C12 | H15 | 158.0° | 35.3° |
| H1 | C13 | C14 | H16 | 27.6° | 144.3° |
| H2 | C13 | C12 | H14 | 86.0° | 35.8° |
| H2 | C13 | C12 | H15 | 36.2° | 88.0° |
| H2 | C13 | C14 | H16 | 94.2° | 21.0° |
| H3 | C17 | C16 | H17 | 0.3° | 0.0° |
| H3 | C17 | C18 | H18 | 0.1° | 0.0° |
| H4 | C20 | C19 | H19 | 0.2° | 0.1° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H5 | C01 | C02 | H8 | 58.8° | 180.0° |
| H6 | C01 | C02 | H8 | 178.8° | 60.0° |
| H7 | C01 | C02 | H8 | 61.2° | 60.0° |
| H8 | C02 | N03 | H29 | 165.6° | 145.1° |
| H9 | C06 | C07 | H10 | 166.8° | 175.0° |
| H9 | C06 | C07 | H11 | 75.8° | 65.0° |
| H9 | C06 | N21 | H30 | 135.1° | 0.1° |
| H12 | C11 | C12 | H14 | 91.4° | 37.8° |
| H12 | C11 | C12 | H15 | 30.8° | 86.0° |
| H13 | C11 | C12 | H14 | 29.8° | 160.1° |
| H13 | C11 | C12 | H15 | 152.0° | 36.3° |
| H18 | C18 | C19 | H19 | 0.1° | 0.0° |
| H21 | C27 | H22 | H23 | 120.0° | 120.1° |
| H24 | C33 | N32 | H31 | 161.8° | 119.9° |
| H25 | C33 | N32 | H31 | 78.4° | 120.1° |
| H26 | C35 | C36 | H27 | 0.4° | 0.0° |
