A97
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.51Å | 1.55Å | |
| C05 | C04 | sing | 1.40Å | 1.39Å | |
| C05 | C06 | doub | 1.35Å | 1.39Å | |
| C07 | C06 | sing | 1.51Å | 1.54Å | |
| C04 | C11 | doub | 1.36Å | 1.40Å | |
| C06 | N08 | sing | 1.36Å | 1.34Å | |
| C11 | C09 | sing | 1.41Å | 1.40Å | |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| N08 | C09 | sing | 1.35Å | 1.35Å | |
| C09 | O10 | doub | 1.22Å | 1.19Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| O15 | C14 | doub | 1.22Å | 1.21Å | |
| C35 | N36 | doub | 1.30Å | 1.34Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.47Å | |
| C14 | C16 | sing | 1.48Å | 1.56Å | |
| N36 | N37 | sing | 1.40Å | 1.37Å | Aromatic |
| C34 | C16 | doub | 1.41Å | 1.44Å | Aromatic |
| C34 | C33 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| N37 | C33 | sing | 1.37Å | 1.38Å | Aromatic |
| N37 | C38 | sing | 1.47Å | 1.46Å | |
| C40 | C38 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | doub | 1.39Å | 1.44Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.42Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | N22 | sing | 1.32Å | 1.33Å | Aromatic |
| C23 | N24 | sing | 1.39Å | 1.49Å | |
| C30 | N24 | sing | 1.47Å | 1.46Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| N24 | C25 | sing | 1.47Å | 1.46Å | |
| C29 | N27 | sing | 1.47Å | 1.37Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | N27 | sing | 1.47Å | 1.38Å | |
| N27 | C28 | sing | 1.47Å | 1.29Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C02 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.08Å | 1.08Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.08Å | 1.08Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| N13 | H39 | sing | 0.97Å | 1.00Å | |
| N08 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 110.6° | 109.4° |
| C02 | C01 | H15 | 109.5° | 109.4° |
| C02 | C01 | H16 | 109.5° | 109.4° |
| C02 | C01 | H17 | 109.5° | 109.5° |
| C01 | C02 | H18 | 109.2° | 109.5° |
| C01 | C02 | H19 | 109.2° | 109.5° |
| C02 | C03 | C04 | 115.9° | 109.5° |
| C03 | C02 | H18 | 109.2° | 109.5° |
| C03 | C02 | H19 | 109.2° | 109.5° |
| C02 | C03 | H20 | 107.8° | 109.5° |
| C02 | C03 | H21 | 107.8° | 109.5° |
| C03 | C04 | C05 | 123.4° | 120.4° |
| C03 | C04 | C11 | 116.8° | 120.4° |
| C04 | C03 | H20 | 107.9° | 109.4° |
| C04 | C03 | H21 | 107.8° | 109.5° |
| C04 | C05 | C06 | 118.7° | 119.9° |
| C05 | C04 | C11 | 119.9° | 119.3° |
| C04 | C05 | H22 | 120.7° | 120.1° |
| C05 | C06 | C07 | 120.3° | 119.6° |
| C05 | C06 | N08 | 121.0° | 120.7° |
| C06 | C05 | H22 | 120.6° | 120.0° |
| C07 | C06 | N08 | 118.7° | 119.6° |
| C06 | C07 | H23 | 109.5° | 109.5° |
| C06 | C07 | H24 | 109.4° | 109.5° |
| C06 | C07 | H25 | 109.5° | 109.5° |
| C04 | C11 | C09 | 118.7° | 119.3° |
| C04 | C11 | C12 | 119.1° | 120.4° |
| C06 | N08 | C09 | 122.0° | 120.7° |
| C06 | N08 | H26 | 119.0° | 119.7° |
| C09 | C11 | C12 | 122.2° | 120.3° |
| C11 | C09 | N08 | 119.7° | 120.0° |
| C11 | C09 | O10 | 120.3° | 120.0° |
| C11 | C12 | N13 | 106.0° | 109.5° |
| C11 | C12 | H9 | 110.3° | 109.5° |
| C11 | C12 | H10 | 110.3° | 109.4° |
| N08 | C09 | O10 | 120.0° | 120.0° |
| C09 | N08 | H26 | 119.0° | 119.6° |
| C12 | N13 | C14 | 120.9° | 120.0° |
| N13 | C12 | H9 | 110.3° | 109.5° |
| N13 | C12 | H10 | 110.3° | 109.5° |
| C12 | N13 | H39 | 119.5° | 120.0° |
| O15 | C14 | N13 | 122.8° | 120.1° |
| O15 | C14 | C16 | 122.1° | 119.9° |
| N36 | C35 | C34 | 108.2° | 108.8° |
| C35 | N36 | N37 | 108.5° | 109.7° |
| N36 | C35 | H31 | 125.9° | 125.6° |
| C35 | C34 | C16 | 132.8° | 133.4° |
| C35 | C34 | C33 | 106.9° | 107.0° |
| C34 | C35 | H31 | 125.9° | 125.6° |
| N13 | C14 | C16 | 115.1° | 120.0° |
| C14 | N13 | H39 | 119.5° | 120.0° |
| C14 | C16 | C34 | 121.0° | 120.2° |
| C14 | C16 | C17 | 118.3° | 120.2° |
| N36 | N37 | C33 | 109.6° | 108.0° |
| N36 | N37 | C38 | 122.5° | 126.0° |
| C16 | C34 | C33 | 120.2° | 119.7° |
| C34 | C16 | C17 | 120.8° | 119.6° |
| C34 | C33 | N37 | 106.8° | 106.6° |
| C34 | C33 | C32 | 118.9° | 119.9° |
| C16 | C17 | C18 | 119.3° | 120.2° |
| C16 | C17 | H8 | 120.4° | 119.9° |
| C33 | N37 | C38 | 127.9° | 126.0° |
| N37 | C33 | C32 | 134.3° | 133.5° |
| N37 | C38 | C40 | 109.2° | 109.5° |
| N37 | C38 | C39 | 104.7° | 109.5° |
| N37 | C38 | H32 | 111.5° | 109.5° |
| C40 | C38 | C39 | 110.4° | 109.5° |
| C40 | C38 | H32 | 110.4° | 109.4° |
| C38 | C40 | H36 | 109.5° | 109.4° |
| C38 | C40 | H37 | 109.5° | 109.5° |
| C38 | C40 | H38 | 109.5° | 109.5° |
| C33 | C32 | C18 | 120.6° | 120.1° |
| C33 | C32 | H30 | 119.7° | 119.9° |
| C39 | C38 | H32 | 110.5° | 109.5° |
| C38 | C39 | H33 | 109.5° | 109.4° |
| C38 | C39 | H34 | 109.5° | 109.4° |
| C38 | C39 | H35 | 109.5° | 109.5° |
| C17 | C18 | C32 | 120.2° | 120.5° |
| C17 | C18 | C19 | 119.0° | 119.8° |
| C18 | C17 | H8 | 120.3° | 119.9° |
| C32 | C18 | C19 | 120.8° | 119.7° |
| C18 | C32 | H30 | 119.7° | 119.9° |
| C18 | C19 | C20 | 122.2° | 120.9° |
| C18 | C19 | C31 | 119.0° | 120.8° |
| C20 | C19 | C31 | 118.7° | 118.3° |
| C19 | C20 | C21 | 118.4° | 119.1° |
| C19 | C20 | H12 | 120.8° | 120.4° |
| C19 | C31 | C23 | 120.0° | 118.9° |
| C19 | C31 | H29 | 120.0° | 120.6° |
| C20 | C21 | N22 | 121.4° | 121.0° |
| C20 | C21 | H11 | 119.3° | 119.5° |
| C21 | C20 | H12 | 120.8° | 120.5° |
| C31 | C23 | N22 | 120.0° | 120.7° |
| C31 | C23 | N24 | 117.7° | 119.6° |
| C23 | C31 | H29 | 120.0° | 120.5° |
| C21 | N22 | C23 | 121.5° | 121.9° |
| N22 | C21 | H11 | 119.3° | 119.5° |
| N22 | C23 | N24 | 122.4° | 119.7° |
| C23 | N24 | C30 | 117.4° | 111.0° |
| C23 | N24 | C25 | 121.7° | 111.0° |
| N24 | C30 | C29 | 116.5° | 109.3° |
| C30 | N24 | C25 | 111.0° | 110.9° |
| N24 | C30 | H27 | 107.7° | 109.5° |
| N24 | C30 | H28 | 107.7° | 109.4° |
| C30 | C29 | N27 | 116.4° | 109.4° |
| C30 | C29 | H1 | 107.7° | 109.5° |
| C30 | C29 | H2 | 107.7° | 109.5° |
| C29 | C30 | H27 | 107.7° | 109.5° |
| C29 | C30 | H28 | 107.7° | 109.5° |
| N24 | C25 | C26 | 115.6° | 109.4° |
| N24 | C25 | H3 | 107.9° | 109.5° |
| N24 | C25 | H4 | 107.9° | 109.5° |
| C29 | N27 | C26 | 115.3° | 110.9° |
| C29 | N27 | C28 | 108.2° | 111.0° |
| N27 | C29 | H1 | 107.7° | 109.5° |
| N27 | C29 | H2 | 107.7° | 109.5° |
| C25 | C26 | N27 | 114.4° | 109.4° |
| C26 | C25 | H3 | 107.9° | 109.5° |
| C26 | C25 | H4 | 107.9° | 109.5° |
| C25 | C26 | H13 | 108.2° | 109.5° |
| C25 | C26 | H14 | 108.2° | 109.5° |
| C26 | N27 | C28 | 109.6° | 111.0° |
| N27 | C26 | H13 | 108.2° | 109.5° |
| N27 | C26 | H14 | 108.2° | 109.5° |
| N27 | C28 | H5 | 109.5° | 109.5° |
| N27 | C28 | H6 | 109.5° | 109.5° |
| N27 | C28 | H7 | 109.5° | 109.5° |
| H1 | C29 | H2 | 109.5° | 109.5° |
| H3 | C25 | H4 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H5 | C28 | H7 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.4° | 109.5° |
| H15 | C01 | H17 | 109.5° | 109.4° |
| H16 | C01 | H17 | 109.5° | 109.5° |
| H18 | C02 | H19 | 109.5° | 109.5° |
| H20 | C03 | H21 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.5° | 109.5° |
| H23 | C07 | H25 | 109.4° | 109.4° |
| H24 | C07 | H25 | 109.5° | 109.4° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H33 | C39 | H34 | 109.4° | 109.5° |
| H33 | C39 | H35 | 109.5° | 109.5° |
| H34 | C39 | H35 | 109.5° | 109.5° |
| H36 | C40 | H37 | 109.4° | 109.5° |
| H36 | C40 | H38 | 109.4° | 109.5° |
| H37 | C40 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H18 | 120.2° | 120.0° |
| C01 | C02 | C03 | H19 | 120.2° | 120.0° |
| C01 | C02 | C03 | C04 | 175.4° | 180.0° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H17 | 120.0° | 120.0° |
| C02 | C01 | H16 | H17 | 120.0° | 120.0° |
| C01 | C02 | H18 | H19 | 119.5° | 120.0° |
| C01 | C02 | C03 | H20 | 54.5° | 60.0° |
| C01 | C02 | C03 | H21 | 63.7° | 60.0° |
| C02 | C03 | C04 | H20 | 120.9° | 120.0° |
| C02 | C03 | C04 | H21 | 120.9° | 120.0° |
| C02 | C03 | C04 | C05 | 7.0° | 84.7° |
| C02 | C03 | C04 | C11 | 173.1° | 95.0° |
| C03 | C02 | C01 | H15 | 180.0° | 180.0° |
| C03 | C02 | C01 | H16 | 60.0° | 60.0° |
| C03 | C02 | C01 | H17 | 60.0° | 60.0° |
| C03 | C02 | H18 | H19 | 119.5° | 120.0° |
| C02 | C03 | H20 | H21 | 117.1° | 120.0° |
| C03 | C04 | C05 | C11 | 179.9° | 179.7° |
| C03 | C04 | C05 | C06 | 179.4° | 180.0° |
| C03 | C04 | C11 | C09 | 179.8° | 180.0° |
| C03 | C04 | C11 | C12 | 0.3° | 0.0° |
| C04 | C03 | C02 | H18 | 64.5° | 60.0° |
| C04 | C03 | C02 | H19 | 55.2° | 60.0° |
| C04 | C03 | H20 | H21 | 117.1° | 120.0° |
| C03 | C04 | C05 | H22 | 0.6° | 0.0° |
| C04 | C05 | C06 | H22 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.6° | 180.0° |
| C04 | C05 | C06 | N08 | 0.6° | 0.1° |
| C05 | C04 | C11 | C09 | 0.1° | 0.3° |
| C05 | C04 | C11 | C12 | 179.7° | 179.7° |
| C05 | C04 | C03 | H20 | 128.0° | 155.2° |
| C05 | C04 | C03 | H21 | 113.9° | 35.2° |
| C05 | C06 | C07 | N08 | 179.8° | 179.9° |
| C06 | C05 | C04 | C11 | 0.5° | 0.2° |
| C05 | C06 | N08 | C09 | 0.2° | 0.4° |
| C05 | C06 | C07 | H23 | 180.0° | 90.0° |
| C05 | C06 | C07 | H24 | 60.0° | 149.9° |
| C05 | C06 | C07 | H25 | 60.0° | 30.0° |
| C05 | C06 | N08 | H26 | 179.8° | 180.0° |
| C07 | C06 | N08 | C09 | 180.0° | 179.7° |
| C07 | C06 | C05 | H22 | 0.4° | 0.0° |
| C06 | C07 | H23 | H24 | 120.0° | 120.0° |
| C06 | C07 | H23 | H25 | 120.0° | 120.0° |
| C06 | C07 | H24 | H25 | 120.0° | 120.0° |
| C07 | C06 | N08 | H26 | 0.0° | 0.1° |
| C04 | C11 | C09 | C12 | 179.9° | 180.0° |
| C04 | C11 | C09 | N08 | 0.3° | 0.0° |
| C04 | C11 | C09 | O10 | 179.8° | 180.0° |
| C04 | C11 | C12 | N13 | 92.4° | 95.0° |
| C04 | C11 | C12 | H9 | 27.0° | 145.0° |
| C04 | C11 | C12 | H10 | 148.1° | 25.0° |
| C11 | C04 | C03 | H20 | 52.1° | 25.0° |
| C11 | C04 | C03 | H21 | 66.0° | 145.0° |
| C11 | C04 | C05 | H22 | 179.4° | 179.8° |
| C06 | N08 | C09 | C11 | 0.3° | 0.3° |
| C06 | N08 | C09 | H26 | 180.0° | 179.6° |
| C06 | N08 | C09 | O10 | 179.8° | 179.7° |
| N08 | C06 | C05 | H22 | 179.4° | 179.9° |
| N08 | C06 | C07 | H23 | 0.2° | 90.1° |
| N08 | C06 | C07 | H24 | 120.2° | 30.0° |
| N08 | C06 | C07 | H25 | 119.8° | 150.0° |
| C11 | C09 | N08 | O10 | 179.5° | 180.0° |
| C09 | C11 | C12 | N13 | 87.4° | 85.0° |
| C09 | C11 | C12 | H9 | 153.2° | 35.0° |
| C09 | C11 | C12 | H10 | 32.0° | 155.0° |
| C11 | C09 | N08 | H26 | 179.7° | 180.0° |
| C12 | C11 | C09 | N08 | 179.9° | 180.0° |
| C12 | C11 | C09 | O10 | 0.4° | 0.0° |
| C11 | C12 | N13 | H9 | 119.5° | 120.1° |
| C11 | C12 | N13 | H10 | 119.5° | 120.0° |
| C11 | C12 | N13 | C14 | 119.6° | 180.0° |
| C11 | C12 | H9 | H10 | 121.6° | 120.0° |
| C11 | C12 | N13 | H39 | 60.4° | 0.0° |
| O10 | C09 | N08 | H26 | 0.2° | 0.1° |
| C12 | N13 | C14 | O15 | 3.0° | 0.0° |
| C12 | N13 | C14 | H39 | 180.0° | 180.0° |
| C12 | N13 | C14 | C16 | 179.3° | 180.0° |
| N13 | C12 | H9 | H10 | 121.6° | 120.0° |
| O15 | C14 | N13 | C16 | 177.7° | 180.0° |
| O15 | C14 | C16 | C34 | 30.7° | 0.0° |
| O15 | C14 | C16 | C17 | 148.8° | 180.0° |
| O15 | C14 | N13 | H39 | 177.0° | 180.0° |
| N36 | C35 | C34 | H31 | 180.0° | 179.6° |
| N36 | C35 | C34 | C16 | 179.8° | 180.0° |
| N36 | C35 | C34 | C33 | 0.2° | 0.2° |
| C35 | N36 | N37 | C33 | 0.6° | 0.4° |
| C35 | N36 | N37 | C38 | 179.2° | 180.0° |
| C35 | C34 | C16 | C14 | 0.8° | 0.0° |
| C34 | C35 | N36 | N37 | 0.5° | 0.4° |
| C35 | C34 | C16 | C33 | 179.6° | 179.8° |
| C35 | C34 | C16 | C17 | 179.8° | 180.0° |
| C35 | C34 | C33 | N37 | 0.1° | 0.1° |
| C35 | C34 | C33 | C32 | 179.9° | 179.9° |
| N13 | C14 | C16 | C34 | 151.6° | 180.0° |
| N13 | C14 | C16 | C17 | 28.9° | 0.0° |
| C14 | N13 | C12 | H9 | 0.1° | 59.9° |
| C14 | N13 | C12 | H10 | 121.0° | 60.0° |
| C14 | C16 | C34 | C17 | 179.4° | 180.0° |
| C14 | C16 | C34 | C33 | 179.6° | 179.8° |
| C14 | C16 | C17 | C18 | 179.9° | 180.0° |
| C14 | C16 | C17 | H8 | 0.1° | 0.0° |
| C16 | C14 | N13 | H39 | 0.7° | 0.0° |
| N36 | N37 | C33 | C34 | 0.4° | 0.3° |
| N36 | N37 | C33 | C38 | 178.5° | 179.6° |
| N36 | N37 | C38 | C40 | 54.9° | 60.0° |
| N36 | N37 | C33 | C32 | 179.8° | 179.7° |
| N36 | N37 | C38 | C39 | 63.3° | 60.0° |
| N37 | N36 | C35 | H31 | 179.5° | 180.0° |
| N36 | N37 | C38 | H32 | 177.2° | 180.0° |
| C16 | C34 | C33 | N37 | 179.5° | 179.8° |
| C16 | C34 | C33 | C32 | 0.3° | 0.2° |
| C34 | C16 | C17 | C18 | 0.4° | 0.0° |
| C34 | C16 | C17 | H8 | 179.6° | 180.0° |
| C16 | C34 | C35 | H31 | 0.2° | 0.4° |
| C33 | C34 | C16 | C17 | 0.2° | 0.2° |
| C34 | C33 | N37 | C32 | 179.7° | 180.0° |
| C34 | C33 | N37 | C38 | 179.0° | 179.9° |
| C34 | C33 | C32 | C18 | 0.6° | 0.0° |
| C34 | C33 | C32 | H30 | 179.4° | 179.9° |
| C33 | C34 | C35 | H31 | 179.8° | 179.8° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C16 | C17 | C18 | C32 | 0.8° | 0.2° |
| C16 | C17 | C18 | C19 | 178.6° | 180.0° |
| C33 | N37 | C38 | C40 | 126.8° | 120.5° |
| C33 | N37 | C38 | C39 | 115.0° | 119.5° |
| N37 | C33 | C32 | C18 | 179.1° | 180.0° |
| N37 | C33 | C32 | H30 | 0.9° | 0.1° |
| C33 | N37 | C38 | H32 | 4.5° | 0.5° |
| N37 | C38 | C40 | C39 | 114.6° | 120.0° |
| N37 | C38 | C40 | H32 | 122.9° | 120.0° |
| C38 | N37 | C33 | C32 | 1.3° | 0.1° |
| N37 | C38 | C39 | H32 | 120.2° | 120.0° |
| N37 | C38 | C39 | H33 | 180.0° | 180.0° |
| N37 | C38 | C39 | H34 | 60.0° | 60.0° |
| N37 | C38 | C39 | H35 | 60.0° | 60.0° |
| N37 | C38 | C40 | H36 | 180.0° | 60.0° |
| N37 | C38 | C40 | H37 | 60.0° | 60.0° |
| N37 | C38 | C40 | H38 | 60.0° | 180.0° |
| C40 | C38 | C39 | H32 | 122.4° | 120.0° |
| C40 | C38 | C39 | H33 | 62.6° | 60.0° |
| C40 | C38 | C39 | H34 | 57.4° | 180.0° |
| C40 | C38 | C39 | H35 | 177.4° | 60.0° |
| C38 | C40 | H36 | H37 | 120.0° | 120.0° |
| C38 | C40 | H36 | H38 | 120.0° | 119.9° |
| C38 | C40 | H37 | H38 | 120.0° | 120.0° |
| C33 | C32 | C18 | C17 | 0.9° | 0.2° |
| C33 | C32 | C18 | H30 | 180.0° | 179.9° |
| C33 | C32 | C18 | C19 | 178.6° | 180.0° |
| C38 | C39 | H33 | H34 | 120.0° | 120.0° |
| C38 | C39 | H33 | H35 | 120.0° | 120.0° |
| C38 | C39 | H34 | H35 | 120.0° | 120.0° |
| C39 | C38 | C40 | H36 | 65.4° | 60.0° |
| C39 | C38 | C40 | H37 | 174.6° | 180.0° |
| C39 | C38 | C40 | H38 | 54.6° | 60.0° |
| C17 | C18 | C32 | C19 | 177.8° | 179.8° |
| C17 | C18 | C19 | C20 | 25.7° | 180.0° |
| C17 | C18 | C19 | C31 | 151.6° | 0.3° |
| C17 | C18 | C32 | H30 | 179.1° | 179.7° |
| C32 | C18 | C19 | C20 | 156.5° | 0.2° |
| C32 | C18 | C19 | C31 | 26.2° | 179.5° |
| C32 | C18 | C17 | H8 | 179.2° | 179.8° |
| C18 | C19 | C20 | C31 | 177.3° | 179.7° |
| C18 | C19 | C20 | C21 | 178.8° | 180.0° |
| C18 | C19 | C31 | C23 | 178.8° | 180.0° |
| C19 | C18 | C17 | H8 | 1.4° | 0.0° |
| C18 | C19 | C20 | H12 | 1.2° | 0.1° |
| C18 | C19 | C31 | H29 | 1.2° | 0.1° |
| C19 | C18 | C32 | H30 | 1.4° | 0.1° |
| C19 | C20 | C21 | H12 | 180.0° | 179.9° |
| C20 | C19 | C31 | C23 | 1.5° | 0.2° |
| C19 | C20 | C21 | N22 | 0.8° | 0.0° |
| C19 | C20 | C21 | H11 | 179.2° | 179.7° |
| C20 | C19 | C31 | H29 | 178.6° | 179.7° |
| C31 | C19 | C20 | C21 | 1.5° | 0.3° |
| C19 | C31 | C23 | H29 | 180.0° | 179.9° |
| C19 | C31 | C23 | N22 | 0.7° | 0.0° |
| C19 | C31 | C23 | N24 | 179.5° | 179.8° |
| C31 | C19 | C20 | H12 | 178.5° | 179.8° |
| C20 | C21 | N22 | H11 | 180.0° | 179.7° |
| C20 | C21 | N22 | C23 | 0.0° | 0.3° |
| C31 | C23 | N22 | C21 | 0.0° | 0.3° |
| C31 | C23 | N22 | N24 | 179.8° | 179.7° |
| C31 | C23 | N24 | C30 | 37.3° | 179.7° |
| C31 | C23 | N24 | C25 | 180.0° | 56.5° |
| C21 | N22 | C23 | N24 | 179.8° | 179.9° |
| N22 | C21 | C20 | H12 | 179.2° | 179.9° |
| N22 | C23 | N24 | C30 | 142.5° | 0.0° |
| N22 | C23 | N24 | C25 | 0.2° | 123.8° |
| C23 | N22 | C21 | H11 | 180.0° | 180.0° |
| N22 | C23 | C31 | H29 | 179.3° | 180.0° |
| C23 | N24 | C30 | C25 | 146.5° | 123.9° |
| C23 | N24 | C30 | C29 | 175.5° | 176.8° |
| C23 | N24 | C25 | C26 | 142.2° | 176.8° |
| C23 | N24 | C25 | H3 | 21.3° | 56.9° |
| C23 | N24 | C25 | H4 | 96.9° | 63.2° |
| C23 | N24 | C30 | H27 | 54.4° | 63.2° |
| C23 | N24 | C30 | H28 | 63.5° | 56.8° |
| N24 | C23 | C31 | H29 | 0.5° | 0.3° |
| N24 | C30 | C29 | H27 | 121.0° | 120.0° |
| N24 | C30 | C29 | H28 | 121.0° | 119.9° |
| N24 | C30 | C29 | N27 | 39.8° | 58.4° |
| C30 | N24 | C25 | C26 | 2.6° | 59.3° |
| N24 | C30 | C29 | H1 | 81.2° | 61.6° |
| N24 | C30 | C29 | H2 | 160.8° | 178.4° |
| C30 | N24 | C25 | H3 | 123.5° | 179.3° |
| C30 | N24 | C25 | H4 | 118.2° | 60.7° |
| N24 | C30 | H27 | H28 | 116.7° | 120.0° |
| C29 | C30 | N24 | C25 | 38.0° | 59.3° |
| C30 | C29 | N27 | H1 | 121.0° | 120.0° |
| C30 | C29 | N27 | H2 | 121.0° | 120.0° |
| C30 | C29 | N27 | C26 | 6.1° | 59.4° |
| C30 | C29 | N27 | C28 | 129.2° | 64.5° |
| C30 | C29 | H1 | H2 | 116.8° | 120.0° |
| C29 | C30 | H27 | H28 | 116.8° | 120.1° |
| N24 | C25 | C26 | H3 | 120.9° | 119.9° |
| N24 | C25 | C26 | H4 | 120.9° | 120.0° |
| N24 | C25 | C26 | N27 | 47.7° | 58.4° |
| N24 | C25 | H3 | H4 | 117.2° | 120.1° |
| N24 | C25 | C26 | H13 | 73.0° | 178.4° |
| N24 | C25 | C26 | H14 | 168.4° | 61.6° |
| C25 | N24 | C30 | H27 | 159.1° | 60.7° |
| C25 | N24 | C30 | H28 | 83.0° | 179.3° |
| C29 | N27 | C26 | C25 | 48.0° | 59.3° |
| C29 | N27 | C26 | C28 | 122.4° | 123.9° |
| N27 | C29 | H1 | H2 | 116.8° | 120.1° |
| C29 | N27 | C28 | H5 | 180.0° | 60.0° |
| C29 | N27 | C28 | H6 | 60.0° | 180.0° |
| C29 | N27 | C28 | H7 | 60.0° | 60.0° |
| C29 | N27 | C26 | H13 | 72.7° | 179.3° |
| C29 | N27 | C26 | H14 | 168.7° | 60.6° |
| N27 | C29 | C30 | H27 | 160.8° | 61.6° |
| N27 | C29 | C30 | H28 | 81.2° | 178.3° |
| C25 | C26 | N27 | H13 | 120.7° | 120.0° |
| C25 | C26 | N27 | H14 | 120.7° | 119.9° |
| C25 | C26 | N27 | C28 | 170.4° | 64.6° |
| C26 | C25 | H3 | H4 | 117.2° | 120.1° |
| C25 | C26 | H13 | H14 | 117.8° | 120.0° |
| C26 | N27 | C29 | H1 | 127.1° | 60.7° |
| C26 | N27 | C29 | H2 | 114.9° | 179.3° |
| N27 | C26 | C25 | H3 | 168.6° | 178.3° |
| N27 | C26 | C25 | H4 | 73.2° | 61.6° |
| C26 | N27 | C28 | H5 | 53.6° | 63.8° |
| C26 | N27 | C28 | H6 | 173.6° | 56.2° |
| C26 | N27 | C28 | H7 | 66.5° | 176.2° |
| N27 | C26 | H13 | H14 | 117.7° | 120.1° |
| C28 | N27 | C29 | H1 | 109.8° | 175.5° |
| C28 | N27 | C29 | H2 | 8.2° | 55.4° |
| N27 | C28 | H5 | H6 | 120.0° | 120.0° |
| N27 | C28 | H5 | H7 | 120.0° | 120.0° |
| N27 | C28 | H6 | H7 | 120.0° | 120.0° |
| C28 | N27 | C26 | H13 | 49.6° | 55.4° |
| C28 | N27 | C26 | H14 | 68.9° | 175.5° |
| H1 | C29 | C30 | H27 | 39.8° | 178.4° |
| H1 | C29 | C30 | H28 | 157.8° | 58.3° |
| H2 | C29 | C30 | H27 | 78.2° | 58.4° |
| H2 | C29 | C30 | H28 | 39.8° | 61.7° |
| H3 | C25 | C26 | H13 | 47.9° | 61.7° |
| H3 | C25 | C26 | H14 | 70.7° | 58.4° |
| H4 | C25 | C26 | H13 | 166.1° | 58.4° |
| H4 | C25 | C26 | H14 | 47.5° | 178.4° |
| H5 | C28 | H6 | H7 | 120.0° | 120.0° |
| H9 | C12 | N13 | H39 | 179.9° | 120.1° |
| H10 | C12 | N13 | H39 | 59.0° | 120.0° |
| H11 | C21 | C20 | H12 | 0.8° | 0.2° |
| H15 | C01 | H16 | H17 | 120.0° | 120.0° |
| H15 | C01 | C02 | H18 | 59.8° | 60.1° |
| H15 | C01 | C02 | H19 | 59.8° | 60.0° |
| H16 | C01 | C02 | H18 | 60.2° | 60.0° |
| H16 | C01 | C02 | H19 | 179.8° | 180.0° |
| H17 | C01 | C02 | H18 | 179.9° | 180.0° |
| H17 | C01 | C02 | H19 | 60.2° | 59.9° |
| H18 | C02 | C03 | H20 | 174.6° | 180.0° |
| H18 | C02 | C03 | H21 | 56.5° | 59.9° |
| H19 | C02 | C03 | H20 | 65.7° | 60.0° |
| H19 | C02 | C03 | H21 | 176.2° | 180.0° |
| H23 | C07 | H24 | H25 | 120.0° | 120.0° |
| H32 | C38 | C39 | H33 | 59.8° | 60.0° |
| H32 | C38 | C39 | H34 | 179.8° | 60.0° |
| H32 | C38 | C39 | H35 | 60.2° | 180.0° |
| H32 | C38 | C40 | H36 | 57.0° | 180.0° |
| H32 | C38 | C40 | H37 | 62.9° | 60.0° |
| H32 | C38 | C40 | H38 | 177.0° | 60.0° |
| H33 | C39 | H34 | H35 | 120.0° | 120.0° |
| H36 | C40 | H37 | H38 | 120.0° | 120.0° |
