Q41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N02 | sing | 1.47Å | 1.47Å | |
| N04 | C13 | sing | 1.39Å | 1.25Å | |
| N02 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| N02 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | N03 | doub | 1.31Å | 1.46Å | Aromatic |
| C15 | C14 | doub | 1.34Å | 1.34Å | Aromatic |
| N03 | C14 | sing | 1.34Å | 1.50Å | Aromatic |
| N03 | C10 | sing | 1.46Å | 1.49Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C07 | C20 | sing | 1.48Å | 1.46Å | |
| C07 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.45Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C18 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | N01 | sing | 1.35Å | 1.39Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | F01 | sing | 1.35Å | 1.35Å | |
| C30 | O03 | sing | 1.43Å | 1.44Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| N01 | C06 | sing | 1.46Å | 1.48Å | |
| N01 | C01 | sing | 1.46Å | 1.48Å | |
| O03 | C29 | sing | 1.36Å | 1.38Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C27 | sing | 1.51Å | 1.52Å | |
| C29 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | O02 | sing | 1.36Å | 1.38Å | |
| O02 | C25 | sing | 1.43Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| N04 | H31 | sing | 0.97Å | 1.00Å | |
| N04 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N02 | C13 | 124.5° | 126.5° |
| C12 | N02 | C15 | 125.5° | 126.5° |
| N02 | C12 | H17 | 109.5° | 109.5° |
| N02 | C12 | H18 | 109.5° | 109.5° |
| N02 | C12 | H19 | 109.5° | 109.5° |
| N04 | C13 | N02 | 127.7° | 125.8° |
| N04 | C13 | N03 | 126.0° | 125.8° |
| C13 | N04 | H31 | 120.0° | 120.0° |
| C13 | N04 | H32 | 120.0° | 120.0° |
| C13 | N02 | C15 | 109.9° | 107.0° |
| N02 | C13 | N03 | 105.4° | 108.4° |
| N02 | C15 | C14 | 111.6° | 106.9° |
| N02 | C15 | H3 | 124.2° | 126.5° |
| C13 | N03 | C14 | 106.1° | 109.3° |
| C13 | N03 | C10 | 124.9° | 125.3° |
| C15 | C14 | N03 | 105.5° | 108.3° |
| C14 | C15 | H3 | 124.2° | 126.5° |
| C15 | C14 | H20 | 127.2° | 125.8° |
| C14 | N03 | C10 | 125.8° | 125.4° |
| N03 | C14 | H20 | 127.2° | 125.8° |
| N03 | C10 | C09 | 105.7° | 109.5° |
| N03 | C10 | H1 | 110.4° | 109.5° |
| N03 | C10 | H2 | 110.4° | 109.5° |
| C10 | C09 | C08 | 119.7° | 119.8° |
| C10 | C09 | C11 | 121.8° | 119.9° |
| C09 | C10 | H1 | 110.4° | 109.4° |
| C09 | C10 | H2 | 110.4° | 109.5° |
| C08 | C09 | C11 | 118.5° | 120.3° |
| C09 | C08 | C07 | 122.0° | 120.3° |
| C09 | C08 | H15 | 119.0° | 119.9° |
| C09 | C11 | C03 | 120.6° | 119.9° |
| C09 | C11 | H16 | 119.7° | 120.1° |
| C08 | C07 | C20 | 115.5° | 120.2° |
| C08 | C07 | C04 | 119.3° | 119.7° |
| C07 | C08 | H15 | 119.0° | 119.8° |
| C11 | C03 | C04 | 120.8° | 120.0° |
| C11 | C03 | C02 | 119.3° | 120.9° |
| C03 | C11 | H16 | 119.7° | 120.0° |
| C19 | C18 | C20 | 121.2° | 120.1° |
| C19 | C18 | C17 | 119.5° | 120.0° |
| C18 | C19 | H21 | 109.5° | 109.4° |
| C18 | C19 | H22 | 109.4° | 109.5° |
| C18 | C19 | H23 | 109.5° | 109.4° |
| C20 | C07 | C04 | 125.1° | 120.1° |
| C07 | C20 | C18 | 122.1° | 120.1° |
| C07 | C20 | C21 | 117.8° | 120.1° |
| C07 | C04 | C03 | 118.8° | 119.8° |
| C07 | C04 | C05 | 122.3° | 120.7° |
| C04 | C03 | C02 | 119.9° | 119.1° |
| C03 | C04 | C05 | 118.9° | 119.5° |
| C03 | C02 | O01 | 121.8° | 120.3° |
| C03 | C02 | N01 | 118.7° | 119.3° |
| O01 | C02 | N01 | 119.5° | 120.4° |
| C20 | C18 | C17 | 119.3° | 119.9° |
| C18 | C20 | C21 | 120.1° | 119.8° |
| C18 | C17 | C16 | 119.1° | 120.1° |
| C18 | C17 | H4 | 120.5° | 120.0° |
| C20 | C21 | C22 | 120.5° | 119.9° |
| C20 | C21 | H5 | 119.7° | 120.0° |
| C04 | C05 | C06 | 109.8° | 110.2° |
| C04 | C05 | H11 | 109.4° | 109.4° |
| C04 | C05 | H12 | 109.4° | 109.3° |
| C17 | C16 | C22 | 122.5° | 120.2° |
| C17 | C16 | F01 | 119.1° | 119.9° |
| C16 | C17 | H4 | 120.4° | 119.9° |
| C02 | N01 | C06 | 121.1° | 121.0° |
| C02 | N01 | C01 | 119.3° | 119.5° |
| C21 | C22 | C16 | 118.5° | 120.1° |
| C22 | C21 | H5 | 119.8° | 120.1° |
| C21 | C22 | H6 | 120.8° | 119.9° |
| C22 | C16 | F01 | 118.4° | 119.9° |
| C16 | C22 | H6 | 120.7° | 120.0° |
| C30 | O03 | C29 | 124.0° | 117.0° |
| O03 | C30 | H28 | 109.5° | 109.4° |
| O03 | C30 | H29 | 109.5° | 109.5° |
| O03 | C30 | H30 | 109.5° | 109.5° |
| C05 | C06 | N01 | 110.5° | 111.0° |
| C06 | C05 | H11 | 109.4° | 109.4° |
| C06 | C05 | H12 | 109.4° | 109.4° |
| C05 | C06 | H13 | 109.2° | 109.2° |
| C05 | C06 | H14 | 109.2° | 109.2° |
| C06 | N01 | C01 | 119.6° | 119.5° |
| N01 | C06 | H13 | 109.2° | 109.2° |
| N01 | C06 | H14 | 109.2° | 109.1° |
| N01 | C01 | C27 | 111.1° | 109.5° |
| N01 | C01 | H9 | 109.1° | 109.5° |
| N01 | C01 | H10 | 109.1° | 109.5° |
| O03 | C29 | C28 | 122.3° | 120.0° |
| O03 | C29 | C23 | 116.4° | 120.0° |
| C29 | C28 | C27 | 119.6° | 120.0° |
| C28 | C29 | C23 | 121.3° | 120.0° |
| C29 | C28 | H8 | 120.2° | 120.0° |
| C28 | C27 | C01 | 121.6° | 120.0° |
| C28 | C27 | C26 | 119.3° | 120.1° |
| C27 | C28 | H8 | 120.2° | 120.0° |
| C01 | C27 | C26 | 119.0° | 120.0° |
| C27 | C01 | H9 | 109.1° | 109.5° |
| C27 | C01 | H10 | 109.1° | 109.5° |
| C29 | C23 | C24 | 118.9° | 119.9° |
| C29 | C23 | H24 | 120.5° | 120.1° |
| C27 | C26 | C24 | 120.2° | 120.1° |
| C27 | C26 | H7 | 119.9° | 120.0° |
| C23 | C24 | C26 | 120.7° | 119.9° |
| C23 | C24 | O02 | 117.0° | 120.0° |
| C24 | C23 | H24 | 120.6° | 120.0° |
| C26 | C24 | O02 | 122.3° | 120.0° |
| C24 | C26 | H7 | 119.9° | 120.0° |
| C24 | O02 | C25 | 124.9° | 117.0° |
| O02 | C25 | H25 | 109.5° | 109.5° |
| O02 | C25 | H26 | 109.5° | 109.4° |
| O02 | C25 | H27 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.3° |
| H13 | C06 | H14 | 109.4° | 109.2° |
| H17 | C12 | H18 | 109.4° | 109.4° |
| H17 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H21 | C19 | H23 | 109.5° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.4° | 109.5° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H31 | N04 | H32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N02 | C13 | N04 | 5.0° | 0.3° |
| C12 | N02 | C13 | C15 | 177.6° | 180.0° |
| C12 | N02 | C13 | N03 | 175.0° | 180.0° |
| C12 | N02 | C15 | C14 | 177.6° | 180.0° |
| C12 | N02 | C15 | H3 | 2.4° | 0.1° |
| N02 | C12 | H17 | H18 | 120.0° | 120.0° |
| N02 | C12 | H17 | H19 | 120.0° | 120.0° |
| N02 | C12 | H18 | H19 | 120.0° | 120.0° |
| N04 | C13 | N02 | N03 | 170.0° | 179.7° |
| N04 | C13 | N02 | C15 | 177.4° | 179.7° |
| N04 | C13 | N03 | C14 | 178.5° | 179.7° |
| N04 | C13 | N03 | C10 | 17.9° | 0.3° |
| C13 | N04 | H31 | H32 | 179.9° | 180.0° |
| C13 | N02 | C15 | C14 | 0.0° | 0.0° |
| N02 | C13 | N03 | C14 | 11.4° | 0.0° |
| N02 | C13 | N03 | C10 | 171.9° | 180.0° |
| C13 | N02 | C15 | H3 | 180.0° | 179.9° |
| C13 | N02 | C12 | H17 | 180.0° | 90.0° |
| C13 | N02 | C12 | H18 | 60.0° | 150.0° |
| C13 | N02 | C12 | H19 | 60.0° | 30.0° |
| N02 | C13 | N04 | H31 | 168.0° | 179.7° |
| N02 | C13 | N04 | H32 | 12.0° | 0.4° |
| C15 | N02 | C13 | N03 | 7.4° | 0.0° |
| N02 | C15 | C14 | H3 | 180.0° | 179.9° |
| N02 | C15 | C14 | N03 | 7.2° | 0.1° |
| C15 | N02 | C12 | H17 | 2.8° | 89.9° |
| C15 | N02 | C12 | H18 | 117.2° | 30.0° |
| C15 | N02 | C12 | H19 | 122.8° | 150.1° |
| N02 | C15 | C14 | H20 | 172.8° | 179.9° |
| C13 | N03 | C14 | C15 | 11.5° | 0.1° |
| C13 | N03 | C14 | C10 | 160.3° | 180.0° |
| C13 | N03 | C10 | C09 | 123.5° | 85.0° |
| C13 | N03 | C10 | H1 | 4.1° | 35.0° |
| C13 | N03 | C10 | H2 | 117.0° | 155.0° |
| C13 | N03 | C14 | H20 | 168.5° | 179.9° |
| N03 | C13 | N04 | H31 | 0.0° | 0.1° |
| N03 | C13 | N04 | H32 | 180.0° | 180.0° |
| C15 | C14 | N03 | H20 | 180.0° | 180.0° |
| C15 | C14 | N03 | C10 | 171.7° | 179.9° |
| C14 | N03 | C10 | C09 | 79.7° | 95.0° |
| C14 | N03 | C10 | H1 | 160.8° | 145.0° |
| C14 | N03 | C10 | H2 | 39.7° | 25.0° |
| N03 | C14 | C15 | H3 | 172.8° | 180.0° |
| N03 | C10 | C09 | H1 | 119.4° | 120.0° |
| N03 | C10 | C09 | H2 | 119.4° | 120.0° |
| N03 | C10 | C09 | C08 | 85.2° | 90.0° |
| N03 | C10 | C09 | C11 | 93.6° | 90.1° |
| N03 | C10 | H1 | H2 | 121.7° | 120.0° |
| C10 | N03 | C14 | H20 | 8.2° | 0.0° |
| C10 | C09 | C08 | C11 | 178.8° | 179.9° |
| C10 | C09 | C08 | C07 | 179.6° | 179.8° |
| C10 | C09 | C11 | C03 | 179.1° | 180.0° |
| C09 | C10 | H1 | H2 | 121.8° | 120.0° |
| C10 | C09 | C08 | H15 | 0.4° | 0.2° |
| C10 | C09 | C11 | H16 | 0.9° | 0.0° |
| C09 | C08 | C07 | H15 | 180.0° | 180.0° |
| C08 | C09 | C11 | C03 | 0.3° | 0.0° |
| C09 | C08 | C07 | C20 | 179.7° | 180.0° |
| C09 | C08 | C07 | C04 | 0.4° | 0.0° |
| C08 | C09 | C10 | H1 | 155.4° | 150.0° |
| C08 | C09 | C10 | H2 | 34.2° | 30.0° |
| C08 | C09 | C11 | H16 | 179.7° | 180.0° |
| C11 | C09 | C08 | C07 | 0.8° | 0.2° |
| C09 | C11 | C03 | H16 | 180.0° | 180.0° |
| C09 | C11 | C03 | C04 | 0.5° | 0.4° |
| C09 | C11 | C03 | C02 | 179.4° | 179.3° |
| C11 | C09 | C10 | H1 | 25.8° | 30.0° |
| C11 | C09 | C10 | H2 | 147.0° | 150.0° |
| C11 | C09 | C08 | H15 | 179.2° | 179.7° |
| C08 | C07 | C20 | C04 | 179.3° | 180.0° |
| C08 | C07 | C04 | C03 | 0.4° | 0.5° |
| C08 | C07 | C20 | C18 | 82.7° | 111.7° |
| C08 | C07 | C20 | C21 | 95.2° | 68.5° |
| C08 | C07 | C04 | C05 | 179.4° | 179.2° |
| C11 | C03 | C04 | C07 | 0.9° | 0.7° |
| C11 | C03 | C04 | C02 | 178.9° | 179.7° |
| C11 | C03 | C02 | O01 | 19.0° | 13.2° |
| C11 | C03 | C04 | C05 | 179.9° | 179.0° |
| C11 | C03 | C02 | N01 | 160.5° | 166.5° |
| C19 | C18 | C20 | C07 | 1.5° | 0.3° |
| C19 | C18 | C20 | C17 | 179.9° | 180.0° |
| C19 | C18 | C20 | C21 | 179.3° | 180.0° |
| C19 | C18 | C17 | C16 | 179.8° | 180.0° |
| C19 | C18 | C17 | H4 | 0.1° | 0.2° |
| C18 | C19 | H21 | H22 | 120.0° | 120.1° |
| C18 | C19 | H21 | H23 | 120.0° | 119.9° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C20 | C07 | C04 | C03 | 178.8° | 179.5° |
| C07 | C20 | C18 | C21 | 177.8° | 179.7° |
| C07 | C20 | C18 | C17 | 178.6° | 179.7° |
| C20 | C07 | C04 | C05 | 0.2° | 0.8° |
| C07 | C20 | C21 | C22 | 179.1° | 180.0° |
| C07 | C20 | C21 | H5 | 0.9° | 0.0° |
| C20 | C07 | C08 | H15 | 0.3° | 0.0° |
| C07 | C04 | C03 | C05 | 179.1° | 179.7° |
| C07 | C04 | C03 | C02 | 179.7° | 179.0° |
| C04 | C07 | C20 | C18 | 98.1° | 68.3° |
| C04 | C07 | C20 | C21 | 84.1° | 111.4° |
| C07 | C04 | C05 | C06 | 144.6° | 147.4° |
| C07 | C04 | C05 | H11 | 95.4° | 92.4° |
| C07 | C04 | C05 | H12 | 24.6° | 27.2° |
| C04 | C07 | C08 | H15 | 179.6° | 180.0° |
| C04 | C03 | C02 | O01 | 159.8° | 167.1° |
| C04 | C03 | C02 | N01 | 20.6° | 13.1° |
| C03 | C04 | C05 | C06 | 34.4° | 32.9° |
| C03 | C04 | C05 | H11 | 85.6° | 87.3° |
| C03 | C04 | C05 | H12 | 154.4° | 153.1° |
| C04 | C03 | C11 | H16 | 179.5° | 179.6° |
| C03 | C02 | O01 | N01 | 179.6° | 179.7° |
| C02 | C03 | C04 | C05 | 1.2° | 1.3° |
| C03 | C02 | N01 | C06 | 0.4° | 7.9° |
| C03 | C02 | N01 | C01 | 179.0° | 172.0° |
| C02 | C03 | C11 | H16 | 0.6° | 0.8° |
| O01 | C02 | N01 | C06 | 180.0° | 171.8° |
| O01 | C02 | N01 | C01 | 1.4° | 8.2° |
| C20 | C18 | C17 | C16 | 0.3° | 0.0° |
| C18 | C20 | C21 | C22 | 1.2° | 0.3° |
| C20 | C18 | C17 | H4 | 179.7° | 179.7° |
| C18 | C20 | C21 | H5 | 178.8° | 179.7° |
| C20 | C18 | C19 | H21 | 90.1° | 95.1° |
| C20 | C18 | C19 | H22 | 149.9° | 144.8° |
| C20 | C18 | C19 | H23 | 29.9° | 24.8° |
| C17 | C18 | C20 | C21 | 0.8° | 0.0° |
| C18 | C17 | C16 | H4 | 180.0° | 179.8° |
| C18 | C17 | C16 | C22 | 0.1° | 0.3° |
| C18 | C17 | C16 | F01 | 179.7° | 179.8° |
| C17 | C18 | C19 | H21 | 90.0° | 84.9° |
| C17 | C18 | C19 | H22 | 29.9° | 35.2° |
| C17 | C18 | C19 | H23 | 150.0° | 155.2° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C20 | C21 | C22 | C16 | 1.0° | 0.6° |
| C20 | C21 | C22 | H6 | 178.9° | 180.0° |
| C04 | C05 | C06 | H11 | 120.0° | 120.2° |
| C04 | C05 | C06 | H12 | 120.0° | 120.2° |
| C04 | C05 | C06 | N01 | 50.8° | 50.5° |
| C04 | C05 | H11 | H12 | 119.9° | 119.6° |
| C04 | C05 | C06 | H13 | 170.9° | 170.9° |
| C04 | C05 | C06 | H14 | 69.4° | 69.8° |
| C17 | C16 | C22 | C21 | 0.5° | 0.6° |
| C17 | C16 | C22 | F01 | 179.6° | 179.9° |
| C17 | C16 | C22 | H6 | 179.5° | 180.0° |
| C02 | N01 | C06 | C05 | 35.8° | 40.4° |
| C02 | N01 | C06 | C01 | 178.6° | 180.0° |
| C02 | N01 | C01 | C27 | 114.0° | 90.0° |
| C02 | N01 | C01 | H9 | 6.2° | 30.0° |
| C02 | N01 | C01 | H10 | 125.7° | 150.0° |
| C02 | N01 | C06 | H13 | 156.0° | 160.8° |
| C02 | N01 | C06 | H14 | 84.4° | 80.0° |
| C21 | C22 | C16 | H6 | 180.0° | 179.4° |
| C21 | C22 | C16 | F01 | 179.9° | 179.5° |
| C22 | C16 | C17 | H4 | 179.9° | 180.0° |
| C16 | C22 | C21 | H5 | 179.0° | 179.4° |
| F01 | C16 | C17 | H4 | 0.3° | 0.0° |
| F01 | C16 | C22 | H6 | 0.1° | 0.1° |
| C30 | O03 | C29 | C28 | 8.0° | 180.0° |
| C30 | O03 | C29 | C23 | 171.7° | 0.2° |
| O03 | C30 | H28 | H29 | 120.0° | 120.0° |
| O03 | C30 | H28 | H30 | 120.0° | 120.0° |
| O03 | C30 | H29 | H30 | 120.0° | 120.0° |
| C05 | C06 | N01 | H13 | 120.2° | 120.4° |
| C05 | C06 | N01 | H14 | 120.2° | 120.3° |
| C05 | C06 | N01 | C01 | 142.8° | 139.6° |
| C06 | C05 | H11 | H12 | 119.9° | 119.7° |
| C05 | C06 | H13 | H14 | 119.5° | 119.3° |
| C06 | N01 | C01 | C27 | 67.3° | 90.0° |
| C06 | N01 | C01 | H9 | 172.4° | 150.1° |
| C06 | N01 | C01 | H10 | 52.9° | 30.0° |
| N01 | C06 | C05 | H11 | 69.3° | 69.7° |
| N01 | C06 | C05 | H12 | 170.8° | 170.7° |
| N01 | C06 | H13 | H14 | 119.5° | 119.2° |
| N01 | C01 | C27 | C28 | 34.8° | 90.0° |
| N01 | C01 | C27 | H9 | 120.2° | 120.0° |
| N01 | C01 | C27 | H10 | 120.2° | 120.0° |
| N01 | C01 | C27 | C26 | 146.2° | 89.7° |
| N01 | C01 | H9 | H10 | 119.2° | 120.0° |
| C01 | N01 | C06 | H13 | 22.6° | 19.2° |
| C01 | N01 | C06 | H14 | 97.0° | 100.1° |
| O03 | C29 | C28 | C23 | 179.8° | 179.8° |
| O03 | C29 | C28 | C27 | 180.0° | 180.0° |
| O03 | C29 | C23 | C24 | 179.8° | 179.7° |
| O03 | C29 | C28 | H8 | 0.0° | 0.2° |
| O03 | C29 | C23 | H24 | 0.2° | 0.2° |
| C29 | O03 | C30 | H28 | 180.0° | 60.0° |
| C29 | O03 | C30 | H29 | 60.0° | 59.9° |
| C29 | O03 | C30 | H30 | 60.0° | 179.9° |
| C29 | C28 | C27 | H8 | 180.0° | 179.7° |
| C29 | C28 | C27 | C01 | 179.5° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.3° |
| C28 | C29 | C23 | C24 | 0.0° | 0.0° |
| C28 | C29 | C23 | H24 | 179.9° | 180.0° |
| C28 | C27 | C01 | C26 | 179.1° | 179.7° |
| C27 | C28 | C29 | C23 | 0.3° | 0.3° |
| C28 | C27 | C26 | C24 | 0.3° | 0.0° |
| C28 | C27 | C26 | H7 | 179.7° | 180.0° |
| C28 | C27 | C01 | H9 | 85.5° | 150.0° |
| C28 | C27 | C01 | H10 | 155.0° | 30.0° |
| C01 | C27 | C26 | C24 | 179.4° | 179.7° |
| C01 | C27 | C26 | H7 | 0.6° | 0.3° |
| C01 | C27 | C28 | H8 | 0.5° | 0.3° |
| C27 | C01 | H9 | H10 | 119.3° | 120.0° |
| C29 | C23 | C24 | H24 | 180.0° | 180.0° |
| C29 | C23 | C24 | C26 | 0.1° | 0.3° |
| C29 | C23 | C24 | O02 | 179.8° | 180.0° |
| C23 | C29 | C28 | H8 | 179.7° | 180.0° |
| C27 | C26 | C24 | C23 | 0.1° | 0.3° |
| C27 | C26 | C24 | H7 | 180.0° | 180.0° |
| C27 | C26 | C24 | O02 | 179.9° | 180.0° |
| C26 | C27 | C28 | H8 | 179.6° | 180.0° |
| C26 | C27 | C01 | H9 | 93.6° | 30.2° |
| C26 | C27 | C01 | H10 | 25.9° | 150.2° |
| C23 | C24 | C26 | O02 | 179.8° | 179.7° |
| C23 | C24 | O02 | C25 | 145.9° | 0.3° |
| C23 | C24 | C26 | H7 | 179.9° | 179.7° |
| C26 | C24 | O02 | C25 | 33.9° | 180.0° |
| C26 | C24 | C23 | H24 | 180.0° | 179.7° |
| O02 | C24 | C26 | H7 | 0.1° | 0.0° |
| O02 | C24 | C23 | H24 | 0.2° | 0.0° |
| C24 | O02 | C25 | H25 | 180.0° | 60.0° |
| C24 | O02 | C25 | H26 | 60.0° | 180.0° |
| C24 | O02 | C25 | H27 | 60.0° | 60.0° |
| O02 | C25 | H25 | H26 | 120.0° | 119.9° |
| O02 | C25 | H25 | H27 | 120.0° | 120.0° |
| O02 | C25 | H26 | H27 | 120.0° | 120.0° |
| H3 | C15 | C14 | H20 | 7.2° | 0.0° |
| H5 | C21 | C22 | H6 | 1.1° | 0.0° |
| H11 | C05 | C06 | H13 | 50.9° | 50.7° |
| H11 | C05 | C06 | H14 | 170.6° | 170.0° |
| H12 | C05 | C06 | H13 | 69.0° | 68.9° |
| H12 | C05 | C06 | H14 | 50.6° | 50.4° |
| H17 | C12 | H18 | H19 | 120.0° | 120.0° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.1° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
