729
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C08 | C05 | sing | 1.53Å | 1.51Å | |
| C07 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C03 | sing | 1.51Å | 1.52Å | |
| C03 | O02 | sing | 1.34Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.35Å | 1.37Å | Aromatic |
| O02 | N03 | sing | 1.21Å | 1.41Å | Aromatic |
| C04 | C02 | sing | 1.42Å | 1.36Å | Aromatic |
| N03 | C02 | doub | 1.31Å | 1.34Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.42Å | |
| O01 | C01 | doub | 1.22Å | 1.21Å | |
| N02 | C01 | sing | 1.35Å | 1.42Å | |
| C01 | N01 | sing | 1.35Å | 1.42Å | |
| C09 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| N01 | C10 | sing | 1.40Å | 1.42Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N05 | N04 | sing | 1.40Å | 1.38Å | Aromatic |
| N05 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.52Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N04 | C17 | sing | 1.36Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C31 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | N06 | sing | 1.39Å | 1.44Å | |
| N06 | C18 | sing | 1.35Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | N08 | sing | 1.47Å | 1.31Å | |
| C26 | N07 | sing | 1.47Å | 1.31Å | |
| C18 | C19 | sing | 1.48Å | 1.53Å | |
| C18 | O03 | doub | 1.22Å | 1.22Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | N08 | sing | 1.47Å | 1.31Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| N08 | C28 | sing | 1.47Å | 1.30Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| N07 | C29 | sing | 1.47Å | 1.31Å | |
| N07 | C25 | sing | 1.47Å | 1.32Å | |
| C22 | C25 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| N02 | H3 | sing | 0.97Å | 1.00Å | |
| N04 | H5 | sing | 0.97Å | 1.00Å | |
| N06 | H6 | sing | 0.97Å | 1.00Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C08 | 109.2° | 109.5° |
| C06 | C05 | C07 | 108.8° | 109.5° |
| C06 | C05 | C03 | 108.5° | 109.5° |
| C05 | C06 | H13 | 109.5° | 109.4° |
| C05 | C06 | H14 | 109.4° | 109.5° |
| C05 | C06 | H15 | 109.5° | 109.4° |
| C08 | C05 | C07 | 109.7° | 109.4° |
| C08 | C05 | C03 | 112.4° | 109.5° |
| C05 | C08 | H19 | 109.5° | 109.4° |
| C05 | C08 | H20 | 109.4° | 109.5° |
| C05 | C08 | H21 | 109.5° | 109.5° |
| C07 | C05 | C03 | 108.3° | 109.5° |
| C05 | C07 | H16 | 109.5° | 109.5° |
| C05 | C07 | H17 | 109.5° | 109.5° |
| C05 | C07 | H18 | 109.5° | 109.5° |
| C05 | C03 | O02 | 122.1° | 126.7° |
| C05 | C03 | C04 | 127.1° | 126.7° |
| O02 | C03 | C04 | 107.5° | 106.6° |
| C03 | O02 | N03 | 103.5° | 111.8° |
| C03 | C04 | C02 | 108.5° | 104.0° |
| C03 | C04 | H11 | 125.8° | 128.0° |
| O02 | N03 | C02 | 107.7° | 111.4° |
| C04 | C02 | N03 | 106.9° | 106.2° |
| C04 | C02 | N02 | 126.7° | 126.9° |
| C02 | C04 | H11 | 125.8° | 128.0° |
| N03 | C02 | N02 | 121.0° | 126.9° |
| C02 | N02 | C01 | 123.7° | 120.0° |
| C02 | N02 | H3 | 118.2° | 120.0° |
| O01 | C01 | N02 | 122.1° | 120.0° |
| O01 | C01 | N01 | 121.4° | 120.0° |
| N02 | C01 | N01 | 116.6° | 120.0° |
| C01 | N02 | H3 | 118.1° | 120.0° |
| C01 | N01 | C10 | 120.9° | 120.0° |
| C01 | N01 | H2 | 119.6° | 120.0° |
| C14 | C09 | C10 | 121.1° | 120.0° |
| C09 | C14 | C13 | 120.7° | 120.0° |
| C14 | C09 | H22 | 119.4° | 120.0° |
| C09 | C14 | H23 | 119.6° | 120.0° |
| C09 | C10 | N01 | 118.7° | 119.9° |
| C09 | C10 | C11 | 119.0° | 120.1° |
| C10 | C09 | H22 | 119.4° | 120.0° |
| C14 | C13 | C15 | 117.7° | 120.1° |
| C14 | C13 | C12 | 118.7° | 119.9° |
| C13 | C14 | H23 | 119.7° | 120.0° |
| N01 | C10 | C11 | 122.3° | 120.0° |
| C10 | N01 | H2 | 119.6° | 120.0° |
| C10 | C11 | C12 | 118.9° | 120.0° |
| C10 | C11 | C31 | 121.1° | 120.0° |
| N04 | N05 | C15 | 107.3° | 108.3° |
| N05 | N04 | C17 | 108.9° | 108.1° |
| N05 | N04 | H5 | 125.6° | 125.9° |
| N05 | C15 | C13 | 123.7° | 126.0° |
| N05 | C15 | C16 | 108.9° | 108.1° |
| C15 | C13 | C12 | 123.5° | 120.0° |
| C13 | C15 | C16 | 127.4° | 125.9° |
| C13 | C12 | C11 | 121.6° | 120.0° |
| C13 | C12 | H1 | 119.2° | 120.0° |
| N04 | C17 | C16 | 107.7° | 107.7° |
| N04 | C17 | N06 | 123.6° | 126.2° |
| C17 | N04 | H5 | 125.6° | 126.0° |
| C15 | C16 | C17 | 107.2° | 107.8° |
| C15 | C16 | H24 | 126.4° | 126.1° |
| C12 | C11 | C31 | 120.0° | 120.0° |
| C11 | C12 | H1 | 119.2° | 120.0° |
| C11 | C31 | H42 | 109.5° | 109.5° |
| C11 | C31 | H43 | 109.5° | 109.5° |
| C11 | C31 | H44 | 109.5° | 109.4° |
| C16 | C17 | N06 | 128.6° | 126.1° |
| C17 | C16 | H24 | 126.4° | 126.1° |
| C17 | N06 | C18 | 124.3° | 120.0° |
| C17 | N06 | H6 | 117.9° | 120.0° |
| N06 | C18 | C19 | 116.7° | 120.0° |
| N06 | C18 | O03 | 121.4° | 120.0° |
| C18 | N06 | H6 | 117.9° | 120.0° |
| C26 | C27 | N08 | 113.5° | 109.3° |
| C27 | C26 | N07 | 116.7° | 109.4° |
| C27 | C26 | H31 | 107.7° | 109.5° |
| C27 | C26 | H32 | 107.6° | 109.5° |
| C26 | C27 | H33 | 108.5° | 109.5° |
| C26 | C27 | H34 | 108.4° | 109.5° |
| C27 | N08 | C30 | 111.1° | 111.0° |
| C27 | N08 | C28 | 109.8° | 110.9° |
| N08 | C27 | H33 | 108.5° | 109.5° |
| N08 | C27 | H34 | 108.5° | 109.5° |
| C26 | N07 | C29 | 114.8° | 110.9° |
| C26 | N07 | C25 | 116.1° | 111.0° |
| N07 | C26 | H31 | 107.6° | 109.5° |
| N07 | C26 | H32 | 107.6° | 109.5° |
| C19 | C18 | O03 | 121.9° | 120.0° |
| C18 | C19 | C24 | 118.7° | 120.2° |
| C18 | C19 | C20 | 121.5° | 120.1° |
| C23 | C24 | C19 | 120.4° | 119.9° |
| C24 | C23 | C22 | 120.2° | 120.1° |
| C24 | C23 | H27 | 119.9° | 119.9° |
| C23 | C24 | H28 | 119.8° | 120.1° |
| C24 | C19 | C20 | 119.7° | 119.7° |
| C19 | C24 | H28 | 119.8° | 120.1° |
| C30 | N08 | C28 | 111.8° | 111.0° |
| N08 | C30 | H39 | 109.5° | 109.5° |
| N08 | C30 | H40 | 109.5° | 109.5° |
| N08 | C30 | H41 | 109.5° | 109.5° |
| C23 | C22 | C25 | 120.1° | 119.8° |
| C23 | C22 | C21 | 119.4° | 120.3° |
| C22 | C23 | H27 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.9° | 119.8° |
| C19 | C20 | H25 | 120.0° | 120.1° |
| N08 | C28 | C29 | 111.7° | 109.4° |
| N08 | C28 | H35 | 108.9° | 109.5° |
| N08 | C28 | H36 | 108.9° | 109.4° |
| C28 | C29 | N07 | 114.6° | 109.4° |
| C29 | C28 | H35 | 108.9° | 109.5° |
| C29 | C28 | H36 | 108.9° | 109.5° |
| C28 | C29 | H37 | 108.1° | 109.5° |
| C28 | C29 | H38 | 108.2° | 109.5° |
| C29 | N07 | C25 | 118.4° | 111.0° |
| N07 | C29 | H37 | 108.2° | 109.5° |
| N07 | C29 | H38 | 108.2° | 109.5° |
| N07 | C25 | C22 | 108.6° | 109.4° |
| N07 | C25 | H29 | 109.7° | 109.4° |
| N07 | C25 | H30 | 109.7° | 109.5° |
| C25 | C22 | C21 | 120.5° | 119.8° |
| C22 | C25 | H29 | 109.7° | 109.5° |
| C22 | C25 | H30 | 109.7° | 109.5° |
| C22 | C21 | C20 | 120.4° | 120.1° |
| C22 | C21 | H26 | 119.8° | 119.9° |
| C21 | C20 | H25 | 120.1° | 120.0° |
| C20 | C21 | H26 | 119.8° | 120.0° |
| H13 | C06 | H14 | 109.5° | 109.5° |
| H13 | C06 | H15 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.5° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.4° |
| H16 | C07 | H18 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.4° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.5° |
| H19 | C08 | H21 | 109.5° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.6° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.5° | 109.6° |
| H35 | C28 | H36 | 109.4° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H39 | C30 | H41 | 109.5° | 109.5° |
| H40 | C30 | H41 | 109.4° | 109.4° |
| H42 | C31 | H43 | 109.5° | 109.5° |
| H42 | C31 | H44 | 109.4° | 109.5° |
| H43 | C31 | H44 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C08 | C07 | 119.1° | 120.0° |
| C06 | C05 | C08 | C03 | 120.4° | 120.0° |
| C06 | C05 | C07 | C03 | 117.7° | 120.0° |
| C06 | C05 | C03 | O02 | 64.0° | 120.0° |
| C06 | C05 | C03 | C04 | 139.3° | 60.0° |
| C05 | C06 | H13 | H14 | 120.0° | 120.0° |
| C05 | C06 | H13 | H15 | 120.0° | 119.9° |
| C05 | C06 | H14 | H15 | 120.0° | 120.0° |
| C06 | C05 | C07 | H16 | 180.0° | 180.0° |
| C06 | C05 | C07 | H17 | 60.0° | 60.0° |
| C06 | C05 | C07 | H18 | 60.0° | 60.0° |
| C06 | C05 | C08 | H19 | 180.0° | 60.0° |
| C06 | C05 | C08 | H20 | 60.0° | 59.9° |
| C06 | C05 | C08 | H21 | 60.0° | 180.0° |
| C08 | C05 | C07 | C03 | 122.9° | 120.0° |
| C08 | C05 | C03 | O02 | 175.2° | 120.0° |
| C08 | C05 | C03 | C04 | 18.5° | 60.0° |
| C08 | C05 | C06 | H13 | 180.0° | 180.0° |
| C08 | C05 | C06 | H14 | 60.0° | 60.0° |
| C08 | C05 | C06 | H15 | 60.0° | 60.0° |
| C08 | C05 | C07 | H16 | 60.6° | 60.0° |
| C08 | C05 | C07 | H17 | 59.4° | 60.0° |
| C08 | C05 | C07 | H18 | 179.3° | 180.0° |
| C05 | C08 | H19 | H20 | 120.0° | 120.0° |
| C05 | C08 | H19 | H21 | 120.0° | 120.0° |
| C05 | C08 | H20 | H21 | 120.0° | 120.0° |
| C07 | C05 | C03 | O02 | 53.9° | 0.0° |
| C07 | C05 | C03 | C04 | 102.8° | 180.0° |
| C07 | C05 | C06 | H13 | 60.4° | 60.1° |
| C07 | C05 | C06 | H14 | 59.7° | 60.0° |
| C07 | C05 | C06 | H15 | 179.6° | 180.0° |
| C05 | C07 | H16 | H17 | 120.0° | 120.0° |
| C05 | C07 | H16 | H18 | 120.0° | 120.0° |
| C05 | C07 | H17 | H18 | 120.0° | 120.0° |
| C07 | C05 | C08 | H19 | 60.9° | 180.0° |
| C07 | C05 | C08 | H20 | 179.1° | 60.0° |
| C07 | C05 | C08 | H21 | 59.1° | 60.0° |
| C05 | C03 | O02 | C04 | 160.7° | 180.0° |
| C05 | C03 | O02 | N03 | 178.7° | 179.9° |
| C05 | C03 | C04 | C02 | 164.8° | 179.9° |
| C05 | C03 | C04 | H11 | 15.2° | 0.0° |
| C03 | C05 | C06 | H13 | 57.2° | 60.0° |
| C03 | C05 | C06 | H14 | 177.2° | 180.0° |
| C03 | C05 | C06 | H15 | 62.8° | 60.0° |
| C03 | C05 | C07 | H16 | 62.3° | 60.0° |
| C03 | C05 | C07 | H17 | 177.7° | 180.0° |
| C03 | C05 | C07 | H18 | 57.7° | 60.0° |
| C03 | C05 | C08 | H19 | 59.6° | 60.0° |
| C03 | C05 | C08 | H20 | 60.4° | 180.0° |
| C03 | C05 | C08 | H21 | 179.6° | 60.0° |
| O02 | C03 | C04 | C02 | 5.4° | 0.0° |
| C03 | O02 | N03 | C02 | 24.8° | 0.0° |
| O02 | C03 | C04 | H11 | 174.7° | 180.0° |
| C04 | C03 | O02 | N03 | 18.0° | 0.0° |
| C03 | C04 | C02 | H11 | 180.0° | 180.0° |
| C03 | C04 | C02 | N03 | 10.5° | 0.0° |
| C03 | C04 | C02 | N02 | 164.4° | 180.0° |
| O02 | N03 | C02 | C04 | 22.0° | 0.0° |
| O02 | N03 | C02 | N02 | 177.7° | 180.0° |
| C04 | C02 | N03 | N02 | 155.7° | 180.0° |
| C04 | C02 | N02 | C01 | 34.5° | 0.0° |
| C04 | C02 | N02 | H3 | 145.5° | 180.0° |
| N03 | C02 | N02 | C01 | 174.9° | 179.9° |
| N03 | C02 | N02 | H3 | 5.1° | 0.0° |
| N03 | C02 | C04 | H11 | 169.5° | 180.0° |
| C02 | N02 | C01 | O01 | 0.2° | 0.1° |
| C02 | N02 | C01 | H3 | 180.0° | 179.9° |
| C02 | N02 | C01 | N01 | 180.0° | 180.0° |
| N02 | C02 | C04 | H11 | 15.5° | 0.0° |
| O01 | C01 | N02 | N01 | 179.8° | 179.9° |
| O01 | C01 | N01 | C10 | 0.9° | 4.6° |
| O01 | C01 | N01 | H2 | 179.1° | 175.4° |
| O01 | C01 | N02 | H3 | 179.8° | 180.0° |
| N02 | C01 | N01 | C10 | 179.3° | 175.5° |
| N02 | C01 | N01 | H2 | 0.7° | 4.4° |
| C01 | N01 | C10 | C09 | 52.3° | 34.8° |
| C01 | N01 | C10 | H2 | 180.0° | 179.9° |
| C01 | N01 | C10 | C11 | 129.7° | 144.9° |
| N01 | C01 | N02 | H3 | 0.0° | 0.1° |
| C14 | C09 | C10 | H22 | 180.0° | 179.5° |
| C09 | C14 | C13 | H23 | 180.0° | 179.5° |
| C14 | C09 | C10 | N01 | 179.4° | 179.8° |
| C14 | C09 | C10 | C11 | 1.3° | 0.5° |
| C09 | C14 | C13 | C15 | 179.4° | 179.7° |
| C09 | C14 | C13 | C12 | 0.6° | 0.3° |
| C10 | C09 | C14 | C13 | 0.9° | 0.5° |
| C09 | C10 | N01 | C11 | 178.0° | 179.7° |
| C09 | C10 | C11 | C12 | 1.4° | 0.2° |
| C09 | C10 | C11 | C31 | 179.4° | 179.7° |
| C09 | C10 | N01 | H2 | 127.7° | 145.3° |
| C10 | C09 | C14 | H23 | 179.1° | 180.0° |
| C14 | C13 | C15 | N05 | 33.3° | 180.0° |
| C14 | C13 | C15 | C12 | 178.8° | 180.0° |
| C14 | C13 | C15 | C16 | 144.0° | 0.1° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C14 | C13 | C12 | H1 | 179.3° | 180.0° |
| C13 | C14 | C09 | H22 | 179.1° | 180.0° |
| N01 | C10 | C11 | C12 | 179.4° | 180.0° |
| N01 | C10 | C11 | C31 | 1.4° | 0.0° |
| N01 | C10 | C09 | H22 | 0.7° | 0.3° |
| C10 | C11 | C12 | C13 | 1.1° | 0.0° |
| C10 | C11 | C12 | C31 | 179.3° | 180.0° |
| C10 | C11 | C12 | H1 | 178.9° | 179.9° |
| C11 | C10 | N01 | H2 | 50.3° | 35.0° |
| C11 | C10 | C09 | H22 | 178.7° | 180.0° |
| C10 | C11 | C31 | H42 | 90.4° | 90.0° |
| C10 | C11 | C31 | H43 | 149.6° | 149.9° |
| C10 | C11 | C31 | H44 | 29.6° | 30.0° |
| N04 | N05 | C15 | C13 | 179.0° | 180.0° |
| N05 | N04 | C17 | H5 | 180.0° | 179.8° |
| N04 | N05 | C15 | C16 | 1.2° | 0.0° |
| N05 | N04 | C17 | C16 | 0.6° | 0.0° |
| N05 | N04 | C17 | N06 | 178.4° | 179.7° |
| N05 | C15 | C13 | C16 | 177.3° | 179.9° |
| N05 | C15 | C13 | C12 | 147.9° | 0.0° |
| C15 | N05 | N04 | C17 | 0.4° | 0.0° |
| N05 | C15 | C16 | C17 | 1.6° | 0.0° |
| C15 | N05 | N04 | H5 | 179.6° | 179.7° |
| N05 | C15 | C16 | H24 | 178.4° | 180.0° |
| C15 | C13 | C12 | C11 | 179.5° | 180.0° |
| C13 | C15 | C16 | C17 | 179.2° | 180.0° |
| C15 | C13 | C12 | H1 | 0.6° | 0.0° |
| C15 | C13 | C14 | H23 | 0.6° | 0.2° |
| C13 | C15 | C16 | H24 | 0.8° | 0.1° |
| C12 | C13 | C15 | C16 | 34.8° | 180.0° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C13 | C12 | C11 | C31 | 179.6° | 180.0° |
| C12 | C13 | C14 | H23 | 179.4° | 179.8° |
| N04 | C17 | C16 | C15 | 1.3° | 0.0° |
| N04 | C17 | C16 | N06 | 177.7° | 179.7° |
| N04 | C17 | N06 | C18 | 158.5° | 180.0° |
| N04 | C17 | N06 | H6 | 21.5° | 0.1° |
| N04 | C17 | C16 | H24 | 178.6° | 180.0° |
| C15 | C16 | C17 | H24 | 180.0° | 180.0° |
| C15 | C16 | C17 | N06 | 179.0° | 179.7° |
| C12 | C11 | C31 | H42 | 90.4° | 90.0° |
| C12 | C11 | C31 | H43 | 29.6° | 30.0° |
| C12 | C11 | C31 | H44 | 149.6° | 149.9° |
| C31 | C11 | C12 | H1 | 0.3° | 0.0° |
| C11 | C31 | H42 | H43 | 120.0° | 120.0° |
| C11 | C31 | H42 | H44 | 120.0° | 120.0° |
| C11 | C31 | H43 | H44 | 120.0° | 119.9° |
| C16 | C17 | N06 | C18 | 24.2° | 0.3° |
| C16 | C17 | N04 | H5 | 179.4° | 179.7° |
| C16 | C17 | N06 | H6 | 155.8° | 179.8° |
| C17 | N06 | C18 | H6 | 180.0° | 179.9° |
| C17 | N06 | C18 | C19 | 178.5° | 180.0° |
| C17 | N06 | C18 | O03 | 0.0° | 0.1° |
| N06 | C17 | N04 | H5 | 1.6° | 0.0° |
| N06 | C17 | C16 | H24 | 1.0° | 0.2° |
| N06 | C18 | C19 | O03 | 178.4° | 180.0° |
| N06 | C18 | C19 | C24 | 12.5° | 0.2° |
| N06 | C18 | C19 | C20 | 165.4° | 180.0° |
| C26 | C27 | N08 | H33 | 120.6° | 119.9° |
| C26 | C27 | N08 | H34 | 120.6° | 120.0° |
| C27 | C26 | N07 | H31 | 121.1° | 120.0° |
| C27 | C26 | N07 | H32 | 121.0° | 119.9° |
| C26 | C27 | N08 | C30 | 165.8° | 176.8° |
| C26 | C27 | N08 | C28 | 41.6° | 59.3° |
| C27 | C26 | N07 | C29 | 41.9° | 59.4° |
| C27 | C26 | N07 | C25 | 102.2° | 176.8° |
| C27 | C26 | H31 | H32 | 116.7° | 120.0° |
| C26 | C27 | H33 | H34 | 118.2° | 120.1° |
| N08 | C27 | C26 | N07 | 12.2° | 58.4° |
| C27 | N08 | C30 | C28 | 123.1° | 123.9° |
| C27 | N08 | C28 | C29 | 65.1° | 59.3° |
| N08 | C27 | C26 | H31 | 108.9° | 61.6° |
| N08 | C27 | C26 | H32 | 133.2° | 178.4° |
| N08 | C27 | H33 | H34 | 118.2° | 120.1° |
| C27 | N08 | C28 | H35 | 174.6° | 179.3° |
| C27 | N08 | C28 | H36 | 55.2° | 60.7° |
| C27 | N08 | C30 | H39 | 180.0° | 176.2° |
| C27 | N08 | C30 | H40 | 60.0° | 56.1° |
| C27 | N08 | C30 | H41 | 60.0° | 63.8° |
| C26 | N07 | C29 | C28 | 19.0° | 59.4° |
| C26 | N07 | C29 | C25 | 143.2° | 123.9° |
| C26 | N07 | C25 | C22 | 83.0° | 66.2° |
| C26 | N07 | C25 | H29 | 36.9° | 53.7° |
| C26 | N07 | C25 | H30 | 157.1° | 173.8° |
| N07 | C26 | H31 | H32 | 116.7° | 120.1° |
| N07 | C26 | C27 | H33 | 108.4° | 61.5° |
| N07 | C26 | C27 | H34 | 132.7° | 178.4° |
| C26 | N07 | C29 | H37 | 139.7° | 179.3° |
| C26 | N07 | C29 | H38 | 101.8° | 60.7° |
| C18 | C19 | C24 | C23 | 179.1° | 179.7° |
| C18 | C19 | C24 | C20 | 178.0° | 179.7° |
| C18 | C19 | C20 | C21 | 178.9° | 180.0° |
| C19 | C18 | N06 | H6 | 1.5° | 0.1° |
| C18 | C19 | C20 | H25 | 1.1° | 0.0° |
| C18 | C19 | C24 | H28 | 0.9° | 0.2° |
| O03 | C18 | C19 | C24 | 169.1° | 179.7° |
| O03 | C18 | C19 | C20 | 13.0° | 0.0° |
| O03 | C18 | N06 | H6 | 180.0° | 180.0° |
| C23 | C24 | C19 | H28 | 180.0° | 179.5° |
| C24 | C23 | C22 | H27 | 180.0° | 179.7° |
| C23 | C24 | C19 | C20 | 1.1° | 0.5° |
| C24 | C23 | C22 | C25 | 179.4° | 179.7° |
| C24 | C23 | C22 | C21 | 0.1° | 0.3° |
| C19 | C24 | C23 | C22 | 0.6° | 0.6° |
| C24 | C19 | C20 | C21 | 1.0° | 0.3° |
| C24 | C19 | C20 | H25 | 179.1° | 179.8° |
| C19 | C24 | C23 | H27 | 179.4° | 179.8° |
| C30 | N08 | C28 | C29 | 171.1° | 176.8° |
| C30 | N08 | C27 | H33 | 73.6° | 63.3° |
| C30 | N08 | C27 | H34 | 45.3° | 56.8° |
| C30 | N08 | C28 | H35 | 50.7° | 56.8° |
| C30 | N08 | C28 | H36 | 68.6° | 63.2° |
| N08 | C30 | H39 | H40 | 120.0° | 120.0° |
| N08 | C30 | H39 | H41 | 120.0° | 120.0° |
| N08 | C30 | H40 | H41 | 120.0° | 120.0° |
| C23 | C22 | C25 | N07 | 88.7° | 90.1° |
| C23 | C22 | C25 | C21 | 179.4° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.1° |
| C23 | C22 | C21 | H26 | 180.0° | 179.9° |
| C22 | C23 | C24 | H28 | 179.4° | 179.9° |
| C23 | C22 | C25 | H29 | 31.1° | 150.0° |
| C23 | C22 | C25 | H30 | 151.4° | 29.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C19 | C20 | C21 | H25 | 180.0° | 180.0° |
| C19 | C20 | C21 | H26 | 179.6° | 180.0° |
| C20 | C19 | C24 | H28 | 178.9° | 180.0° |
| N08 | C28 | C29 | H35 | 120.3° | 120.0° |
| N08 | C28 | C29 | H36 | 120.4° | 119.9° |
| N08 | C28 | C29 | N07 | 35.1° | 58.4° |
| C28 | N08 | C27 | H33 | 162.2° | 60.6° |
| C28 | N08 | C27 | H34 | 78.9° | 179.2° |
| N08 | C28 | H35 | H36 | 119.0° | 120.0° |
| N08 | C28 | C29 | H37 | 85.6° | 178.3° |
| N08 | C28 | C29 | H38 | 155.9° | 61.6° |
| C28 | N08 | C30 | H39 | 56.9° | 59.9° |
| C28 | N08 | C30 | H40 | 176.9° | 180.0° |
| C28 | N08 | C30 | H41 | 63.1° | 60.1° |
| C28 | C29 | N07 | H37 | 120.7° | 119.9° |
| C28 | C29 | N07 | H38 | 120.8° | 120.0° |
| C28 | C29 | N07 | C25 | 124.3° | 176.8° |
| C29 | C28 | H35 | H36 | 118.9° | 120.1° |
| C28 | C29 | H37 | H38 | 117.7° | 120.1° |
| C29 | N07 | C25 | C22 | 134.2° | 170.0° |
| C29 | N07 | C25 | H29 | 105.9° | 70.1° |
| C29 | N07 | C25 | H30 | 14.4° | 50.0° |
| C29 | N07 | C26 | H31 | 79.1° | 60.6° |
| C29 | N07 | C26 | H32 | 163.0° | 179.3° |
| N07 | C29 | C28 | H35 | 155.5° | 178.4° |
| N07 | C29 | C28 | H36 | 85.2° | 61.5° |
| N07 | C29 | H37 | H38 | 117.7° | 120.0° |
| N07 | C25 | C22 | H29 | 119.9° | 119.9° |
| N07 | C25 | C22 | H30 | 119.9° | 120.0° |
| N07 | C25 | C22 | C21 | 90.7° | 90.0° |
| N07 | C25 | H29 | H30 | 120.4° | 120.0° |
| C25 | N07 | C26 | H31 | 136.8° | 63.2° |
| C25 | N07 | C26 | H32 | 18.9° | 56.9° |
| C25 | N07 | C29 | H37 | 3.5° | 56.9° |
| C25 | N07 | C29 | H38 | 115.0° | 63.2° |
| C25 | C22 | C21 | C20 | 179.5° | 180.0° |
| C25 | C22 | C21 | H26 | 0.5° | 0.0° |
| C25 | C22 | C23 | H27 | 0.6° | 0.1° |
| C22 | C25 | H29 | H30 | 120.4° | 120.1° |
| C22 | C21 | C20 | H26 | 180.0° | 180.0° |
| C22 | C21 | C20 | H25 | 179.6° | 180.0° |
| C21 | C22 | C23 | H27 | 179.9° | 180.0° |
| C21 | C22 | C25 | H29 | 149.4° | 29.9° |
| C21 | C22 | C25 | H30 | 29.2° | 150.0° |
| H13 | C06 | H14 | H15 | 120.0° | 120.1° |
| H16 | C07 | H17 | H18 | 120.0° | 120.0° |
| H19 | C08 | H20 | H21 | 120.0° | 120.0° |
| H22 | C09 | C14 | H23 | 0.9° | 0.5° |
| H25 | C20 | C21 | H26 | 0.4° | 0.0° |
| H27 | C23 | C24 | H28 | 0.6° | 0.2° |
| H31 | C26 | C27 | H33 | 130.5° | 178.5° |
| H31 | C26 | C27 | H34 | 11.7° | 58.3° |
| H32 | C26 | C27 | H33 | 12.6° | 58.5° |
| H32 | C26 | C27 | H34 | 106.2° | 61.7° |
| H35 | C28 | C29 | H37 | 34.7° | 61.7° |
| H35 | C28 | C29 | H38 | 83.8° | 58.4° |
| H36 | C28 | C29 | H37 | 154.0° | 58.4° |
| H36 | C28 | C29 | H38 | 35.5° | 178.5° |
| H39 | C30 | H40 | H41 | 120.0° | 120.0° |
| H42 | C31 | H43 | H44 | 119.9° | 120.0° |
