L84
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C13 | doub | 1.38Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.35Å | Aromatic |
| O03 | C10 | sing | 1.36Å | 1.36Å | |
| C13 | C01 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.35Å | Aromatic |
| C04 | C07 | sing | 1.56Å | 1.54Å | |
| C04 | O01 | sing | 1.47Å | 1.41Å | |
| C04 | C27 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.55Å | 1.55Å | |
| O01 | C06 | sing | 1.47Å | 1.40Å | |
| C01 | C27 | sing | 1.47Å | 1.36Å | |
| C01 | C12 | doub | 1.40Å | 1.35Å | Aromatic |
| C09 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| C27 | C16 | doub | 1.36Å | 1.36Å | |
| O05 | S01 | doub | 1.42Å | 1.46Å | |
| C08 | C06 | sing | 1.56Å | 1.54Å | |
| C08 | S01 | sing | 1.81Å | 1.76Å | |
| C06 | C16 | sing | 1.53Å | 1.52Å | |
| S01 | O04 | doub | 1.42Å | 1.46Å | |
| S01 | N01 | sing | 1.66Å | 1.72Å | |
| C16 | C28 | sing | 1.47Å | 1.36Å | |
| F03 | C20 | sing | 1.40Å | 1.31Å | |
| F02 | C20 | sing | 1.40Å | 1.31Å | |
| C28 | C29 | doub | 1.40Å | 1.35Å | Aromatic |
| C28 | C33 | sing | 1.40Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.49Å | |
| C20 | F01 | sing | 1.40Å | 1.30Å | |
| N01 | C19 | sing | 1.47Å | 1.52Å | |
| N01 | C21 | sing | 1.40Å | 1.29Å | |
| C29 | C30 | sing | 1.38Å | 1.34Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.34Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.35Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.34Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.35Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.34Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.34Å | Aromatic |
| C31 | O06 | sing | 1.36Å | 1.36Å | |
| C23 | C24 | doub | 1.39Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.35Å | Aromatic |
| C24 | O02 | sing | 1.36Å | 1.39Å | |
| O02 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C34 | sing | 1.53Å | 1.54Å | |
| C05 | C34 | sing | 1.53Å | 1.55Å | |
| C05 | N02 | sing | 1.47Å | 1.46Å | |
| C02 | N02 | sing | 1.47Å | 1.46Å | |
| C02 | C15 | sing | 1.53Å | 1.54Å | |
| N02 | C17 | sing | 1.47Å | 1.46Å | |
| C15 | C03 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C03 | C18 | sing | 1.53Å | 1.54Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | 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 | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| O03 | H39 | sing | 0.97Å | 0.95Å | |
| O06 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C11 | C10 | 120.9° | 120.1° |
| C11 | C13 | C01 | 122.7° | 119.9° |
| C11 | C13 | H1 | 118.7° | 120.1° |
| C13 | C11 | H20 | 119.5° | 119.9° |
| C11 | C10 | O03 | 120.9° | 119.9° |
| C11 | C10 | C09 | 117.2° | 120.2° |
| C10 | C11 | H20 | 119.5° | 120.0° |
| O03 | C10 | C09 | 121.9° | 119.9° |
| C10 | O03 | H39 | 109.5° | 114.1° |
| C13 | C01 | C27 | 122.1° | 120.1° |
| C13 | C01 | C12 | 115.6° | 119.8° |
| C01 | C13 | H1 | 118.6° | 120.1° |
| C10 | C09 | C12 | 121.4° | 120.1° |
| C10 | C09 | H19 | 119.3° | 120.0° |
| C07 | C04 | O01 | 100.2° | 101.1° |
| C07 | C04 | C27 | 108.9° | 105.1° |
| C04 | C07 | C08 | 98.1° | 101.9° |
| C07 | C04 | H12 | 113.5° | 115.6° |
| C04 | C07 | H16 | 112.2° | 111.0° |
| C04 | C07 | H17 | 112.2° | 110.9° |
| O01 | C04 | C27 | 103.7° | 100.7° |
| C04 | O01 | C06 | 95.4° | 97.0° |
| O01 | C04 | H12 | 115.8° | 116.0° |
| C04 | C27 | C01 | 121.5° | 127.0° |
| C04 | C27 | C16 | 104.5° | 106.0° |
| C27 | C04 | H12 | 113.5° | 116.2° |
| C07 | C08 | C06 | 101.0° | 102.0° |
| C07 | C08 | S01 | 117.5° | 111.0° |
| C08 | C07 | H16 | 112.2° | 110.9° |
| C08 | C07 | H17 | 112.2° | 110.9° |
| C07 | C08 | H18 | 109.9° | 110.9° |
| O01 | C06 | C08 | 103.3° | 101.0° |
| O01 | C06 | C16 | 102.2° | 100.7° |
| O01 | C06 | H15 | 115.9° | 116.0° |
| C27 | C01 | C12 | 122.3° | 120.1° |
| C01 | C27 | C16 | 133.1° | 127.0° |
| C01 | C12 | C09 | 122.1° | 119.9° |
| C01 | C12 | H21 | 119.0° | 120.0° |
| C12 | C09 | H19 | 119.3° | 119.9° |
| C09 | C12 | H21 | 118.9° | 120.1° |
| C27 | C16 | C06 | 102.0° | 105.9° |
| C27 | C16 | C28 | 134.6° | 127.0° |
| O05 | S01 | C08 | 113.4° | 110.5° |
| O05 | S01 | O04 | 120.9° | 121.1° |
| O05 | S01 | N01 | 96.6° | 104.3° |
| C06 | C08 | S01 | 110.9° | 110.9° |
| C08 | C06 | C16 | 107.2° | 105.1° |
| C08 | C06 | H15 | 113.4° | 116.1° |
| C06 | C08 | H18 | 110.0° | 111.0° |
| C08 | S01 | O04 | 114.9° | 110.5° |
| C08 | S01 | N01 | 112.5° | 104.4° |
| S01 | C08 | H18 | 107.4° | 110.8° |
| C06 | C16 | C28 | 120.1° | 127.0° |
| C16 | C06 | H15 | 113.7° | 115.7° |
| O04 | S01 | N01 | 94.6° | 104.3° |
| S01 | N01 | C19 | 120.9° | 120.0° |
| S01 | N01 | C21 | 120.0° | 120.0° |
| C16 | C28 | C29 | 120.5° | 120.1° |
| C16 | C28 | C33 | 124.2° | 120.1° |
| F03 | C20 | F02 | 106.7° | 109.5° |
| F03 | C20 | C19 | 112.5° | 109.4° |
| F03 | C20 | F01 | 107.7° | 109.5° |
| F02 | C20 | C19 | 110.2° | 109.5° |
| F02 | C20 | F01 | 106.5° | 109.5° |
| C29 | C28 | C33 | 115.3° | 119.8° |
| C28 | C29 | C30 | 122.9° | 119.9° |
| C28 | C29 | H32 | 118.6° | 120.0° |
| C28 | C33 | C32 | 122.3° | 119.9° |
| C28 | C33 | H35 | 118.8° | 120.1° |
| C19 | C20 | F01 | 112.8° | 109.5° |
| C20 | C19 | N01 | 119.0° | 109.4° |
| C20 | C19 | H27 | 107.1° | 109.5° |
| C20 | C19 | H28 | 107.1° | 109.4° |
| C19 | N01 | C21 | 118.8° | 120.0° |
| N01 | C19 | H27 | 107.0° | 109.4° |
| N01 | C19 | H28 | 107.0° | 109.5° |
| N01 | C21 | C22 | 116.8° | 120.0° |
| N01 | C21 | C26 | 128.5° | 120.0° |
| C29 | C30 | C31 | 121.0° | 120.1° |
| C30 | C29 | H32 | 118.5° | 120.1° |
| C29 | C30 | H33 | 119.5° | 119.9° |
| C33 | C32 | C31 | 121.6° | 120.1° |
| C33 | C32 | H34 | 119.2° | 119.9° |
| C32 | C33 | H35 | 118.9° | 120.0° |
| C22 | C21 | C26 | 114.7° | 119.9° |
| C21 | C22 | C23 | 123.1° | 120.0° |
| C21 | C22 | H6 | 118.4° | 120.0° |
| C21 | C26 | C25 | 122.3° | 120.0° |
| C21 | C26 | H7 | 118.8° | 120.0° |
| C22 | C23 | C24 | 122.1° | 120.1° |
| C23 | C22 | H6 | 118.4° | 120.0° |
| C22 | C23 | H29 | 119.0° | 120.0° |
| C26 | C25 | C24 | 122.7° | 120.0° |
| C25 | C26 | H7 | 118.8° | 120.0° |
| C26 | C25 | H30 | 118.6° | 120.0° |
| C30 | C31 | C32 | 116.9° | 120.2° |
| C30 | C31 | O06 | 121.0° | 119.9° |
| C31 | C30 | H33 | 119.6° | 119.9° |
| C32 | C31 | O06 | 122.1° | 119.8° |
| C31 | C32 | H34 | 119.2° | 120.0° |
| C31 | O06 | H40 | 109.5° | 114.0° |
| C23 | C24 | C25 | 115.1° | 120.0° |
| C23 | C24 | O02 | 122.7° | 120.0° |
| C24 | C23 | H29 | 118.9° | 119.9° |
| C25 | C24 | O02 | 122.2° | 120.0° |
| C24 | C25 | H30 | 118.6° | 119.9° |
| C24 | O02 | C14 | 106.1° | 117.0° |
| O02 | C14 | C34 | 108.9° | 109.5° |
| O02 | C14 | H22 | 109.6° | 109.5° |
| O02 | C14 | H23 | 109.6° | 109.5° |
| C14 | C34 | C05 | 113.3° | 109.5° |
| C34 | C14 | H22 | 109.6° | 109.5° |
| C34 | C14 | H23 | 109.6° | 109.5° |
| C14 | C34 | H36 | 108.5° | 109.5° |
| C14 | C34 | H37 | 108.5° | 109.5° |
| C34 | C05 | N02 | 117.5° | 109.5° |
| C34 | C05 | H13 | 107.4° | 109.4° |
| C34 | C05 | H14 | 107.4° | 109.5° |
| C05 | C34 | H36 | 108.5° | 109.4° |
| C05 | C34 | H37 | 108.5° | 109.5° |
| C05 | N02 | C02 | 113.0° | 111.0° |
| C05 | N02 | C17 | 114.4° | 111.0° |
| N02 | C05 | H13 | 107.4° | 109.5° |
| N02 | C05 | H14 | 107.4° | 109.5° |
| N02 | C02 | C15 | 114.3° | 109.5° |
| C02 | N02 | C17 | 114.4° | 111.2° |
| N02 | C02 | H8 | 108.2° | 109.4° |
| N02 | C02 | H9 | 108.2° | 109.5° |
| C02 | C15 | C03 | 110.4° | 109.3° |
| C02 | C15 | H2 | 109.3° | 109.5° |
| C02 | C15 | H3 | 109.2° | 109.5° |
| C15 | C02 | H8 | 108.3° | 109.4° |
| C15 | C02 | H9 | 108.3° | 109.5° |
| N02 | C17 | C18 | 113.7° | 109.5° |
| N02 | C17 | H4 | 108.4° | 109.4° |
| N02 | C17 | H5 | 108.4° | 109.5° |
| C15 | C03 | C18 | 109.2° | 109.2° |
| C03 | C15 | H2 | 109.2° | 109.5° |
| C03 | C15 | H3 | 109.3° | 109.5° |
| C15 | C03 | H10 | 109.5° | 109.5° |
| C15 | C03 | H11 | 109.5° | 109.5° |
| C17 | C18 | C03 | 113.6° | 109.3° |
| C18 | C17 | H4 | 108.4° | 109.4° |
| C18 | C17 | H5 | 108.4° | 109.5° |
| C17 | C18 | H25 | 108.4° | 109.5° |
| C17 | C18 | H26 | 108.4° | 109.5° |
| C18 | C03 | H10 | 109.5° | 109.5° |
| C18 | C03 | H11 | 109.5° | 109.5° |
| C03 | C18 | H25 | 108.4° | 109.5° |
| C03 | C18 | H26 | 108.4° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.6° |
| H13 | C05 | H14 | 109.5° | 109.4° |
| H16 | C07 | H17 | 109.5° | 110.9° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.6° |
| H36 | C34 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C11 | C10 | H20 | 180.0° | 179.9° |
| C13 | C11 | C10 | O03 | 179.9° | 179.7° |
| C11 | C13 | C01 | H1 | 180.0° | 180.0° |
| C13 | C11 | C10 | C09 | 0.2° | 0.0° |
| C11 | C13 | C01 | C27 | 180.0° | 180.0° |
| C11 | C13 | C01 | C12 | 0.6° | 0.0° |
| C11 | C10 | O03 | C09 | 179.9° | 179.7° |
| C10 | C11 | C13 | C01 | 0.5° | 0.0° |
| C11 | C10 | C09 | C12 | 0.1° | 0.1° |
| C10 | C11 | C13 | H1 | 179.5° | 180.0° |
| C11 | C10 | C09 | H19 | 179.8° | 180.0° |
| C11 | C10 | O03 | H39 | 180.0° | 90.3° |
| O03 | C10 | C09 | C12 | 179.8° | 179.8° |
| O03 | C10 | C09 | H19 | 0.2° | 0.3° |
| O03 | C10 | C11 | H20 | 0.1° | 0.3° |
| C13 | C01 | C27 | C04 | 35.4° | 115.0° |
| C13 | C01 | C27 | C12 | 179.4° | 180.0° |
| C13 | C01 | C12 | C09 | 0.3° | 0.0° |
| C13 | C01 | C27 | C16 | 157.7° | 65.0° |
| C01 | C13 | C11 | H20 | 179.4° | 179.9° |
| C13 | C01 | C12 | H21 | 179.7° | 179.9° |
| C10 | C09 | C12 | C01 | 0.1° | 0.1° |
| C10 | C09 | C12 | H19 | 180.0° | 179.9° |
| C09 | C10 | C11 | H20 | 179.8° | 180.0° |
| C10 | C09 | C12 | H21 | 179.9° | 180.0° |
| C09 | C10 | O03 | H39 | 0.1° | 90.0° |
| C07 | C04 | O01 | C27 | 112.5° | 107.9° |
| C07 | C04 | O01 | H12 | 122.5° | 125.8° |
| C07 | C04 | C27 | H12 | 127.5° | 129.2° |
| C04 | C07 | C08 | H16 | 118.1° | 118.2° |
| C04 | C07 | C08 | H17 | 118.1° | 118.1° |
| C07 | C04 | O01 | C06 | 64.1° | 57.4° |
| C07 | C04 | C27 | C01 | 107.5° | 107.5° |
| C07 | C04 | C27 | C16 | 82.3° | 72.6° |
| C04 | C07 | C08 | C06 | 11.4° | 0.0° |
| C04 | C07 | C08 | S01 | 132.1° | 118.2° |
| C04 | C07 | H16 | H17 | 125.3° | 123.7° |
| C04 | C07 | C08 | H18 | 104.7° | 118.2° |
| O01 | C04 | C27 | H12 | 126.5° | 126.1° |
| O01 | C04 | C07 | C08 | 46.2° | 34.8° |
| O01 | C04 | C27 | C01 | 146.4° | 147.8° |
| O01 | C04 | C27 | C16 | 23.8° | 32.1° |
| C04 | O01 | C06 | C08 | 55.8° | 57.4° |
| C04 | O01 | C06 | C16 | 55.4° | 50.5° |
| C04 | O01 | C06 | H15 | 179.6° | 176.1° |
| O01 | C04 | C07 | H16 | 164.3° | 152.9° |
| O01 | C04 | C07 | H17 | 71.9° | 83.4° |
| C27 | C04 | C07 | C08 | 62.2° | 69.6° |
| C27 | C04 | O01 | C06 | 48.4° | 50.5° |
| C04 | C27 | C01 | C16 | 166.9° | 179.9° |
| C04 | C27 | C01 | C12 | 144.0° | 65.0° |
| C04 | C27 | C16 | C06 | 10.3° | 0.0° |
| C04 | C27 | C16 | C28 | 168.7° | 180.0° |
| C27 | C04 | C07 | H16 | 55.9° | 48.5° |
| C27 | C04 | C07 | H17 | 179.7° | 172.3° |
| C07 | C08 | C06 | O01 | 26.1° | 34.8° |
| C07 | C08 | S01 | O05 | 62.8° | 178.7° |
| C07 | C08 | C06 | S01 | 125.3° | 118.2° |
| C07 | C08 | C06 | H18 | 116.1° | 118.2° |
| C07 | C08 | S01 | H18 | 124.5° | 123.7° |
| C07 | C08 | C06 | C16 | 81.3° | 69.6° |
| C07 | C08 | S01 | O04 | 82.1° | 44.6° |
| C07 | C08 | S01 | N01 | 171.1° | 67.0° |
| C08 | C07 | C04 | H12 | 170.4° | 160.8° |
| C07 | C08 | C06 | H15 | 152.3° | 161.2° |
| C08 | C07 | H16 | H17 | 125.3° | 123.7° |
| O01 | C06 | C16 | C27 | 42.2° | 32.2° |
| O01 | C06 | C08 | C16 | 107.5° | 104.4° |
| O01 | C06 | C08 | H15 | 126.2° | 126.4° |
| O01 | C06 | C08 | S01 | 99.2° | 83.4° |
| O01 | C06 | C16 | H15 | 125.6° | 125.8° |
| O01 | C06 | C16 | C28 | 155.5° | 147.9° |
| C06 | O01 | C04 | H12 | 173.4° | 176.8° |
| O01 | C06 | C08 | H18 | 142.2° | 152.9° |
| C27 | C01 | C12 | C09 | 179.7° | 180.0° |
| C01 | C27 | C16 | C06 | 178.8° | 180.0° |
| C01 | C27 | C16 | C28 | 22.8° | 0.1° |
| C27 | C01 | C13 | H1 | 0.0° | 0.0° |
| C01 | C27 | C04 | H12 | 19.9° | 21.7° |
| C27 | C01 | C12 | H21 | 0.3° | 0.0° |
| C01 | C12 | C09 | H21 | 180.0° | 179.9° |
| C12 | C01 | C27 | C16 | 22.9° | 115.1° |
| C12 | C01 | C13 | H1 | 179.4° | 180.0° |
| C01 | C12 | C09 | H19 | 179.9° | 180.0° |
| C27 | C16 | C06 | C08 | 66.0° | 72.5° |
| C27 | C16 | C06 | C28 | 162.4° | 179.9° |
| C27 | C16 | C28 | C29 | 141.5° | 64.9° |
| C27 | C16 | C28 | C33 | 39.5° | 115.4° |
| C16 | C27 | C04 | H12 | 150.3° | 158.2° |
| C27 | C16 | C06 | H15 | 167.8° | 158.0° |
| O05 | S01 | C08 | C06 | 52.5° | 68.7° |
| O05 | S01 | C08 | O04 | 144.9° | 136.7° |
| O05 | S01 | C08 | N01 | 108.3° | 111.7° |
| O05 | S01 | O04 | N01 | 100.5° | 116.8° |
| O05 | S01 | N01 | C19 | 3.3° | 19.0° |
| O05 | S01 | N01 | C21 | 176.8° | 161.0° |
| O05 | S01 | C08 | H18 | 172.7° | 55.0° |
| C06 | C08 | S01 | H18 | 120.2° | 123.7° |
| C08 | C06 | C16 | H15 | 126.2° | 129.5° |
| C06 | C08 | S01 | O04 | 162.6° | 68.0° |
| C06 | C08 | S01 | N01 | 55.8° | 179.6° |
| C08 | C06 | C16 | C28 | 96.3° | 107.5° |
| C06 | C08 | C07 | H16 | 129.5° | 118.2° |
| C06 | C08 | C07 | H17 | 106.7° | 118.1° |
| S01 | C08 | C06 | C16 | 153.4° | 172.2° |
| C08 | S01 | O04 | N01 | 117.5° | 111.7° |
| C08 | S01 | N01 | C19 | 115.4° | 97.1° |
| C08 | S01 | N01 | C21 | 58.1° | 82.9° |
| S01 | C08 | C06 | H15 | 27.0° | 43.0° |
| S01 | C08 | C07 | H16 | 109.8° | 123.6° |
| S01 | C08 | C07 | H17 | 14.0° | 0.1° |
| C06 | C16 | C28 | C29 | 63.0° | 115.0° |
| C06 | C16 | C28 | C33 | 115.9° | 64.7° |
| C16 | C06 | C08 | H18 | 34.7° | 48.6° |
| O04 | S01 | N01 | C19 | 125.2° | 146.9° |
| O04 | S01 | N01 | C21 | 61.3° | 33.1° |
| O04 | S01 | C08 | H18 | 42.4° | 168.3° |
| S01 | N01 | C19 | C20 | 81.1° | 96.1° |
| S01 | N01 | C19 | C21 | 173.5° | 180.0° |
| S01 | N01 | C21 | C22 | 107.3° | 126.4° |
| S01 | N01 | C21 | C26 | 70.8° | 53.3° |
| N01 | S01 | C08 | H18 | 64.4° | 56.7° |
| S01 | N01 | C19 | H27 | 157.5° | 143.9° |
| S01 | N01 | C19 | H28 | 40.2° | 23.8° |
| C16 | C28 | C29 | C33 | 179.1° | 179.7° |
| C16 | C28 | C29 | C30 | 179.8° | 179.7° |
| C16 | C28 | C33 | C32 | 179.6° | 179.8° |
| C28 | C16 | C06 | H15 | 29.8° | 22.0° |
| C16 | C28 | C29 | H32 | 0.2° | 0.3° |
| C16 | C28 | C33 | H35 | 0.4° | 0.3° |
| F03 | C20 | F02 | C19 | 122.5° | 120.0° |
| F03 | C20 | F02 | F01 | 114.8° | 120.0° |
| F03 | C20 | C19 | F01 | 122.1° | 120.0° |
| F03 | C20 | C19 | N01 | 49.6° | 65.5° |
| F03 | C20 | C19 | H27 | 170.9° | 54.5° |
| F03 | C20 | C19 | H28 | 71.8° | 174.6° |
| F02 | C20 | C19 | F01 | 118.9° | 120.0° |
| F02 | C20 | C19 | N01 | 168.6° | 174.5° |
| F02 | C20 | C19 | H27 | 70.1° | 65.5° |
| F02 | C20 | C19 | H28 | 47.2° | 54.6° |
| C28 | C29 | C30 | H32 | 180.0° | 179.9° |
| C29 | C28 | C33 | C32 | 0.6° | 0.1° |
| C28 | C29 | C30 | C31 | 0.6° | 0.0° |
| C28 | C29 | C30 | H33 | 179.4° | 180.0° |
| C29 | C28 | C33 | H35 | 179.4° | 180.0° |
| C33 | C28 | C29 | C30 | 0.7° | 0.0° |
| C28 | C33 | C32 | H35 | 180.0° | 179.9° |
| C28 | C33 | C32 | C31 | 0.2° | 0.1° |
| C33 | C28 | C29 | H32 | 179.3° | 180.0° |
| C28 | C33 | C32 | H34 | 179.8° | 179.9° |
| C20 | C19 | N01 | H27 | 121.4° | 120.0° |
| C20 | C19 | N01 | H28 | 121.4° | 119.9° |
| C20 | C19 | N01 | C21 | 105.3° | 83.9° |
| C20 | C19 | H27 | H28 | 115.7° | 120.0° |
| F01 | C20 | C19 | N01 | 72.5° | 54.5° |
| F01 | C20 | C19 | H27 | 48.8° | 174.5° |
| F01 | C20 | C19 | H28 | 166.1° | 65.4° |
| C19 | N01 | C21 | C22 | 66.3° | 53.6° |
| C19 | N01 | C21 | C26 | 115.6° | 126.7° |
| N01 | C19 | H27 | H28 | 115.7° | 120.0° |
| N01 | C21 | C22 | C26 | 178.3° | 179.8° |
| N01 | C21 | C22 | C23 | 179.0° | 179.7° |
| N01 | C21 | C26 | C25 | 178.7° | 179.7° |
| N01 | C21 | C22 | H6 | 1.0° | 0.3° |
| N01 | C21 | C26 | H7 | 1.3° | 0.2° |
| C21 | N01 | C19 | H27 | 16.1° | 36.1° |
| C21 | N01 | C19 | H28 | 133.3° | 156.2° |
| C29 | C30 | C31 | H33 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.0° |
| C29 | C30 | C31 | O06 | 179.7° | 180.0° |
| C33 | C32 | C31 | C30 | 0.0° | 0.1° |
| C33 | C32 | C31 | H34 | 180.0° | 179.9° |
| C33 | C32 | C31 | O06 | 179.9° | 180.0° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.1° |
| C22 | C21 | C26 | H7 | 179.3° | 180.0° |
| C21 | C22 | C23 | H29 | 179.9° | 180.0° |
| C26 | C21 | C22 | C23 | 0.7° | 0.1° |
| C21 | C26 | C25 | H7 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C21 | C22 | H6 | 179.3° | 180.0° |
| C21 | C26 | C25 | H30 | 180.0° | 180.0° |
| C22 | C23 | C24 | H29 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C22 | C23 | C24 | O02 | 179.5° | 180.0° |
| C26 | C25 | C24 | C23 | 0.6° | 0.1° |
| C26 | C25 | C24 | H30 | 180.0° | 180.0° |
| C26 | C25 | C24 | O02 | 179.5° | 180.0° |
| C30 | C31 | C32 | O06 | 179.9° | 180.0° |
| C31 | C30 | C29 | H32 | 179.4° | 179.9° |
| C30 | C31 | C32 | H34 | 180.0° | 180.0° |
| C30 | C31 | O06 | H40 | 180.0° | 90.0° |
| C32 | C31 | C30 | H33 | 179.8° | 180.0° |
| C31 | C32 | C33 | H35 | 179.8° | 180.0° |
| C32 | C31 | O06 | H40 | 0.1° | 90.0° |
| O06 | C31 | C30 | H33 | 0.3° | 0.0° |
| O06 | C31 | C32 | H34 | 0.1° | 0.0° |
| C23 | C24 | C25 | O02 | 179.0° | 179.9° |
| C23 | C24 | O02 | C14 | 20.8° | 180.0° |
| C24 | C23 | C22 | H6 | 179.9° | 179.9° |
| C23 | C24 | C25 | H30 | 179.4° | 179.9° |
| C25 | C24 | O02 | C14 | 160.3° | 0.1° |
| C24 | C25 | C26 | H7 | 179.9° | 180.0° |
| C25 | C24 | C23 | H29 | 179.4° | 180.0° |
| C24 | O02 | C14 | C34 | 171.5° | 180.0° |
| C24 | O02 | C14 | H22 | 51.6° | 59.9° |
| C24 | O02 | C14 | H23 | 68.6° | 60.0° |
| O02 | C24 | C23 | H29 | 0.5° | 0.0° |
| O02 | C24 | C25 | H30 | 0.5° | 0.0° |
| O02 | C14 | C34 | H22 | 119.9° | 120.0° |
| O02 | C14 | C34 | H23 | 119.9° | 120.0° |
| O02 | C14 | C34 | C05 | 97.2° | 180.0° |
| O02 | C14 | H22 | H23 | 120.3° | 120.0° |
| O02 | C14 | C34 | H36 | 23.4° | 60.0° |
| O02 | C14 | C34 | H37 | 142.3° | 60.0° |
| C14 | C34 | C05 | H36 | 120.6° | 120.0° |
| C14 | C34 | C05 | H37 | 120.6° | 120.0° |
| C14 | C34 | C05 | N02 | 131.4° | 180.0° |
| C14 | C34 | C05 | H13 | 107.4° | 60.0° |
| C14 | C34 | C05 | H14 | 10.3° | 60.0° |
| C34 | C14 | H22 | H23 | 120.3° | 120.0° |
| C14 | C34 | H36 | H37 | 118.2° | 120.0° |
| C34 | C05 | N02 | H13 | 121.2° | 120.0° |
| C34 | C05 | N02 | H14 | 121.1° | 120.0° |
| C34 | C05 | N02 | C02 | 150.2° | 170.0° |
| C34 | C05 | N02 | C17 | 76.5° | 65.8° |
| C34 | C05 | H13 | H14 | 116.3° | 119.9° |
| C05 | C34 | C14 | H22 | 142.9° | 60.0° |
| C05 | C34 | C14 | H23 | 22.7° | 60.0° |
| C05 | C34 | H36 | H37 | 118.3° | 120.0° |
| C05 | N02 | C02 | C17 | 133.3° | 124.1° |
| C05 | N02 | C02 | C15 | 176.1° | 174.2° |
| C05 | N02 | C17 | C18 | 178.7° | 174.2° |
| C05 | N02 | C17 | H4 | 60.7° | 65.9° |
| C05 | N02 | C17 | H5 | 58.0° | 54.1° |
| C05 | N02 | C02 | H8 | 63.2° | 54.2° |
| C05 | N02 | C02 | H9 | 55.4° | 65.8° |
| N02 | C05 | H13 | H14 | 116.3° | 120.0° |
| N02 | C05 | C34 | H36 | 10.8° | 60.0° |
| N02 | C05 | C34 | H37 | 108.0° | 60.0° |
| N02 | C02 | C15 | H8 | 120.7° | 120.0° |
| N02 | C02 | C15 | H9 | 120.7° | 120.1° |
| N02 | C02 | C15 | C03 | 55.2° | 59.2° |
| C02 | N02 | C17 | C18 | 46.0° | 61.7° |
| N02 | C02 | C15 | H2 | 175.3° | 179.2° |
| N02 | C02 | C15 | H3 | 64.9° | 60.8° |
| C02 | N02 | C17 | H4 | 166.7° | 58.2° |
| C02 | N02 | C17 | H5 | 74.6° | 178.2° |
| N02 | C02 | H8 | H9 | 117.8° | 120.0° |
| C02 | N02 | C05 | H13 | 88.6° | 70.0° |
| C02 | N02 | C05 | H14 | 29.0° | 50.0° |
| C15 | C02 | N02 | C17 | 50.6° | 61.8° |
| C02 | C15 | C03 | H2 | 120.2° | 120.0° |
| C02 | C15 | C03 | H3 | 120.1° | 120.0° |
| C02 | C15 | C03 | C18 | 54.6° | 57.6° |
| C02 | C15 | H2 | H3 | 119.6° | 120.1° |
| C15 | C02 | H8 | H9 | 117.8° | 120.0° |
| C02 | C15 | C03 | H10 | 65.4° | 62.2° |
| C02 | C15 | C03 | H11 | 174.5° | 177.6° |
| N02 | C17 | C18 | H4 | 120.6° | 120.0° |
| N02 | C17 | C18 | H5 | 120.6° | 120.0° |
| N02 | C17 | C18 | C03 | 47.9° | 59.1° |
| N02 | C17 | H4 | H5 | 118.0° | 120.0° |
| C17 | N02 | C02 | H8 | 70.1° | 178.3° |
| C17 | N02 | C02 | H9 | 171.3° | 58.3° |
| C17 | N02 | C05 | H13 | 44.7° | 54.2° |
| C17 | N02 | C05 | H14 | 162.3° | 174.2° |
| N02 | C17 | C18 | H25 | 72.8° | 60.8° |
| N02 | C17 | C18 | H26 | 168.5° | 179.1° |
| C15 | C03 | C18 | C17 | 52.1° | 57.6° |
| C15 | C03 | C18 | H10 | 119.9° | 119.9° |
| C15 | C03 | C18 | H11 | 120.0° | 119.9° |
| C03 | C15 | H2 | H3 | 119.6° | 120.1° |
| C03 | C15 | C02 | H8 | 65.5° | 179.2° |
| C03 | C15 | C02 | H9 | 175.9° | 60.9° |
| C15 | C03 | H10 | H11 | 120.1° | 120.2° |
| C15 | C03 | C18 | H25 | 68.5° | 62.3° |
| C15 | C03 | C18 | H26 | 172.7° | 177.6° |
| C17 | C18 | C03 | H25 | 120.6° | 119.9° |
| C17 | C18 | C03 | H26 | 120.6° | 120.0° |
| C18 | C17 | H4 | H5 | 118.1° | 120.0° |
| C17 | C18 | C03 | H10 | 67.8° | 62.2° |
| C17 | C18 | C03 | H11 | 172.1° | 177.5° |
| C17 | C18 | H25 | H26 | 118.1° | 120.1° |
| C18 | C03 | C15 | H2 | 174.7° | 177.6° |
| C18 | C03 | C15 | H3 | 65.5° | 62.3° |
| C03 | C18 | C17 | H4 | 168.5° | 60.8° |
| C03 | C18 | C17 | H5 | 72.8° | 179.2° |
| C18 | C03 | H10 | H11 | 120.1° | 120.2° |
| C03 | C18 | H25 | H26 | 118.1° | 120.1° |
| H1 | C13 | C11 | H20 | 0.6° | 0.1° |
| H2 | C15 | C02 | H8 | 54.7° | 60.9° |
| H2 | C15 | C02 | H9 | 64.0° | 59.1° |
| H2 | C15 | C03 | H10 | 54.8° | 57.8° |
| H2 | C15 | C03 | H11 | 65.3° | 62.5° |
| H3 | C15 | C02 | H8 | 174.4° | 59.2° |
| H3 | C15 | C02 | H9 | 55.8° | 179.2° |
| H3 | C15 | C03 | H10 | 174.5° | 177.8° |
| H3 | C15 | C03 | H11 | 54.4° | 57.6° |
| H4 | C17 | C18 | H25 | 47.9° | 179.3° |
| H4 | C17 | C18 | H26 | 70.9° | 59.2° |
| H5 | C17 | C18 | H25 | 166.6° | 59.2° |
| H5 | C17 | C18 | H26 | 47.9° | 60.9° |
| H6 | C22 | C23 | H29 | 0.1° | 0.0° |
| H7 | C26 | C25 | H30 | 0.1° | 0.0° |
| H10 | C03 | C18 | H25 | 171.6° | 177.9° |
| H10 | C03 | C18 | H26 | 52.8° | 57.7° |
| H11 | C03 | C18 | H25 | 51.5° | 57.6° |
| H11 | C03 | C18 | H26 | 67.3° | 62.5° |
| H12 | C04 | C07 | H16 | 71.5° | 81.0° |
| H12 | C04 | C07 | H17 | 52.3° | 42.7° |
| H13 | C05 | C34 | H36 | 132.0° | 60.0° |
| H13 | C05 | C34 | H37 | 13.2° | 180.0° |
| H14 | C05 | C34 | H36 | 110.3° | 180.0° |
| H14 | C05 | C34 | H37 | 130.8° | 60.0° |
| H15 | C06 | C08 | H18 | 91.6° | 80.7° |
| H16 | C07 | C08 | H18 | 13.4° | 0.0° |
| H17 | C07 | C08 | H18 | 137.2° | 123.7° |
| H19 | C09 | C12 | H21 | 0.1° | 0.1° |
| H22 | C14 | C34 | H36 | 96.5° | 179.9° |
| H22 | C14 | C34 | H37 | 22.4° | 60.0° |
| H23 | C14 | C34 | H36 | 143.3° | 60.0° |
| H23 | C14 | C34 | H37 | 97.8° | 180.0° |
| H32 | C29 | C30 | H33 | 0.6° | 0.1° |
| H34 | C32 | C33 | H35 | 0.2° | 0.0° |
