LSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.54Å | 1.57Å | |
| C8 | N12 | sing | 1.47Å | 1.48Å | |
| C9 | O10 | sing | 1.46Å | 1.43Å | |
| O10 | C11 | sing | 1.34Å | 1.48Å | |
| C11 | N12 | sing | 1.34Å | 1.35Å | |
| C11 | O25 | doub | 1.22Å | 1.23Å | |
| N12 | C13 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | O26 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C27 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | O29 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C30 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C31 | sing | 1.53Å | 1.53Å | |
| C18 | O33 | sing | 1.43Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O33 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C34 | sing | 1.53Å | 1.54Å | |
| C22 | O36 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | O36 | sing | 1.43Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.1° | 120.0° |
| C2 | C1 | C9 | 120.4° | 120.0° |
| C1 | C2 | C3 | 122.2° | 120.0° |
| C1 | C2 | H2 | 118.9° | 119.9° |
| C6 | C1 | C9 | 121.4° | 120.0° |
| C1 | C6 | C5 | 119.7° | 120.0° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C1 | C9 | C8 | 124.0° | 110.5° |
| C1 | C9 | O10 | 101.3° | 110.5° |
| C1 | C9 | H9 | 103.5° | 110.5° |
| C2 | C3 | C4 | 118.8° | 120.0° |
| C3 | C2 | H2 | 118.9° | 120.0° |
| C2 | C3 | H3 | 120.6° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.1° |
| C4 | C3 | H3 | 120.6° | 120.1° |
| C3 | C4 | H4 | 120.0° | 119.9° |
| C4 | C5 | C6 | 121.3° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | H5 | 119.4° | 120.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| C7 | C8 | C9 | 121.1° | 110.6° |
| C7 | C8 | N12 | 121.4° | 110.5° |
| C8 | C7 | H7 | 109.5° | 109.5° |
| C8 | C7 | H7A | 109.5° | 109.5° |
| C8 | C7 | H7B | 109.4° | 109.4° |
| C7 | C8 | H8 | 87.3° | 110.5° |
| C9 | C8 | N12 | 96.8° | 103.8° |
| C8 | C9 | O10 | 101.3° | 104.0° |
| C9 | C8 | H8 | 116.1° | 110.6° |
| C8 | C9 | H9 | 103.5° | 110.6° |
| C8 | N12 | C11 | 101.5° | 108.8° |
| C8 | N12 | C13 | 132.4° | 125.6° |
| N12 | C8 | H8 | 115.7° | 110.7° |
| C9 | O10 | C11 | 102.2° | 109.5° |
| O10 | C9 | H9 | 125.4° | 110.7° |
| O10 | C11 | N12 | 111.8° | 113.9° |
| O10 | C11 | O25 | 121.1° | 123.1° |
| N12 | C11 | O25 | 124.0° | 123.0° |
| C11 | N12 | C13 | 121.7° | 125.6° |
| N12 | C13 | C14 | 117.5° | 120.0° |
| N12 | C13 | O26 | 121.7° | 120.0° |
| C14 | C13 | O26 | 120.7° | 120.0° |
| C13 | C14 | C15 | 116.4° | 109.5° |
| C13 | C14 | C27 | 117.1° | 109.4° |
| C13 | C14 | H14 | 97.2° | 109.5° |
| C15 | C14 | C27 | 106.4° | 109.5° |
| C14 | C15 | C16 | 124.7° | 109.5° |
| C14 | C15 | O29 | 98.1° | 109.5° |
| C15 | C14 | H14 | 110.0° | 109.5° |
| C14 | C15 | H15 | 106.0° | 109.5° |
| C14 | C27 | C28 | 117.4° | 109.4° |
| C27 | C14 | H14 | 109.2° | 109.5° |
| C14 | C27 | H27 | 106.9° | 109.5° |
| C14 | C27 | H27A | 106.9° | 109.5° |
| C16 | C15 | O29 | 103.6° | 109.5° |
| C15 | C16 | C17 | 106.4° | 109.5° |
| C15 | C16 | C30 | 113.3° | 109.4° |
| C16 | C15 | H15 | 100.7° | 109.5° |
| C15 | C16 | H16 | 110.3° | 109.4° |
| O29 | C15 | H15 | 126.3° | 109.4° |
| C15 | O29 | HO29 | 109.5° | 114.0° |
| C17 | C16 | C30 | 113.0° | 109.5° |
| C16 | C17 | C18 | 116.3° | 109.5° |
| C17 | C16 | H16 | 110.6° | 109.5° |
| C16 | C17 | H17 | 107.3° | 109.4° |
| C16 | C17 | H17A | 107.2° | 109.5° |
| C30 | C16 | H16 | 103.3° | 109.5° |
| C16 | C30 | H30 | 109.5° | 109.4° |
| C16 | C30 | H30A | 109.4° | 109.5° |
| C16 | C30 | H30B | 109.5° | 109.5° |
| C17 | C18 | C19 | 117.3° | 117.8° |
| C17 | C18 | C31 | 121.6° | 115.7° |
| C17 | C18 | O33 | 108.5° | 117.8° |
| C18 | C17 | H17 | 107.2° | 109.5° |
| C18 | C17 | H17A | 107.3° | 109.5° |
| C19 | C18 | C31 | 120.2° | 117.8° |
| C19 | C18 | O33 | 58.0° | 57.6° |
| C18 | C19 | C20 | 125.4° | 117.7° |
| C18 | C19 | O33 | 58.4° | 57.6° |
| C18 | C19 | H19 | 130.9° | 117.8° |
| C31 | C18 | O33 | 109.5° | 117.8° |
| C18 | C31 | C32 | 110.6° | 109.5° |
| C18 | C31 | H31 | 109.1° | 109.5° |
| C18 | C31 | H31A | 109.1° | 109.5° |
| C18 | O33 | C19 | 63.6° | 64.7° |
| C20 | C19 | O33 | 113.8° | 117.7° |
| C19 | C20 | C21 | 107.2° | 109.4° |
| C20 | C19 | H19 | 90.7° | 115.8° |
| C19 | C20 | H20 | 110.2° | 109.4° |
| C19 | C20 | H20A | 110.2° | 109.5° |
| O33 | C19 | H19 | 140.9° | 117.8° |
| C20 | C21 | C22 | 117.0° | 109.5° |
| C21 | C20 | H20 | 110.2° | 109.5° |
| C21 | C20 | H20A | 110.2° | 109.5° |
| C20 | C21 | H21 | 107.0° | 109.5° |
| C20 | C21 | H21A | 107.0° | 109.5° |
| C21 | C22 | C23 | 121.5° | 117.8° |
| C21 | C22 | C34 | 118.7° | 115.7° |
| C21 | C22 | O36 | 112.8° | 117.8° |
| C22 | C21 | H21 | 107.0° | 109.5° |
| C22 | C21 | H21A | 107.0° | 109.4° |
| C23 | C22 | C34 | 116.7° | 117.8° |
| C23 | C22 | O36 | 57.9° | 57.7° |
| C22 | C23 | C24 | 118.0° | 117.8° |
| C22 | C23 | O36 | 58.2° | 57.7° |
| C22 | C23 | H23 | 134.9° | 117.8° |
| C34 | C22 | O36 | 112.9° | 117.8° |
| C22 | C34 | C35 | 110.9° | 109.5° |
| C22 | C34 | H34 | 109.0° | 109.5° |
| C22 | C34 | H34A | 109.0° | 109.5° |
| C22 | O36 | C23 | 63.9° | 64.7° |
| C24 | C23 | O36 | 115.9° | 117.8° |
| C24 | C23 | H23 | 93.6° | 115.7° |
| C23 | C24 | H24 | 109.5° | 109.4° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.4° |
| O36 | C23 | H23 | 136.7° | 117.8° |
| C28 | C27 | H27 | 106.9° | 109.5° |
| C28 | C27 | H27A | 106.9° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H28A | 109.4° | 109.5° |
| C27 | C28 | H28B | 109.5° | 109.4° |
| C32 | C31 | H31 | 109.1° | 109.5° |
| C32 | C31 | H31A | 109.1° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.4° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.5° | 109.5° |
| C35 | C34 | H34 | 109.0° | 109.5° |
| C35 | C34 | H34A | 109.0° | 109.4° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.4° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.5° |
| H7 | C7 | H7A | 109.4° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| H17 | C17 | H17A | 111.6° | 109.5° |
| H20 | C20 | H20A | 108.7° | 109.5° |
| H21 | C21 | H21A | 111.8° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.4° | 109.5° |
| H27 | C27 | H27A | 111.9° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.5° |
| H28 | C28 | H28B | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H31 | C31 | H31A | 109.8° | 109.4° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.9° | 109.4° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.4° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C9 | 177.7° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.6° | 0.1° |
| C2 | C1 | C6 | C5 | 1.0° | 0.1° |
| C2 | C1 | C9 | C8 | 109.0° | 100.0° |
| C2 | C1 | C9 | O10 | 3.1° | 145.4° |
| C1 | C2 | C3 | H3 | 178.5° | 180.0° |
| C2 | C1 | C6 | H6 | 178.9° | 180.0° |
| C2 | C1 | C9 | H9 | 134.1° | 22.6° |
| C6 | C1 | C2 | C3 | 1.6° | 0.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C9 | C8 | 73.4° | 80.3° |
| C6 | C1 | C9 | O10 | 174.5° | 34.3° |
| C6 | C1 | C2 | H2 | 178.4° | 180.0° |
| C1 | C6 | C5 | H5 | 179.5° | 180.0° |
| C6 | C1 | C9 | H9 | 43.5° | 157.1° |
| C9 | C1 | C2 | C3 | 179.3° | 179.7° |
| C9 | C1 | C6 | C5 | 178.7° | 179.6° |
| C1 | C9 | C8 | C7 | 69.1° | 0.0° |
| C1 | C9 | C8 | O10 | 112.1° | 118.6° |
| C1 | C9 | C8 | H9 | 116.9° | 122.6° |
| C1 | C9 | C8 | N12 | 64.3° | 118.6° |
| C1 | C9 | O10 | H9 | 115.8° | 122.7° |
| C1 | C9 | O10 | C11 | 98.2° | 118.6° |
| C9 | C1 | C2 | H2 | 0.7° | 0.3° |
| C9 | C1 | C6 | H6 | 1.3° | 0.3° |
| C1 | C9 | C8 | H8 | 172.7° | 122.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H4 | 179.1° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 178.4° | 180.0° |
| C3 | C4 | C5 | H5 | 179.6° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 179.1° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 179.9° |
| C6 | C5 | C4 | H4 | 179.6° | 179.9° |
| C7 | C8 | C9 | N12 | 133.3° | 118.6° |
| C7 | C8 | C9 | H8 | 103.6° | 122.7° |
| C7 | C8 | N12 | H8 | 103.5° | 122.8° |
| C7 | C8 | C9 | O10 | 178.8° | 118.5° |
| C7 | C8 | N12 | C11 | 179.8° | 118.6° |
| C7 | C8 | N12 | C13 | 24.3° | 61.4° |
| C8 | C7 | H7 | H7A | 120.0° | 120.0° |
| C8 | C7 | H7 | H7B | 120.0° | 120.0° |
| C8 | C7 | H7A | H7B | 120.0° | 119.9° |
| C7 | C8 | C9 | H9 | 47.8° | 122.7° |
| C9 | C8 | N12 | H8 | 123.3° | 118.6° |
| C8 | C9 | O10 | H9 | 115.8° | 118.7° |
| C8 | C9 | O10 | C11 | 30.2° | 0.1° |
| C9 | C8 | N12 | C11 | 46.7° | 0.0° |
| C9 | C8 | N12 | C13 | 157.4° | 179.9° |
| C9 | C8 | C7 | H7 | 180.0° | 60.0° |
| C9 | C8 | C7 | H7A | 60.0° | 179.9° |
| C9 | C8 | C7 | H7B | 60.0° | 60.0° |
| N12 | C8 | C9 | O10 | 47.9° | 0.0° |
| C8 | N12 | C11 | O10 | 31.1° | 0.0° |
| C8 | N12 | C11 | C13 | 159.3° | 180.0° |
| C8 | N12 | C11 | O25 | 168.7° | 180.0° |
| C8 | N12 | C13 | C14 | 1.1° | 173.6° |
| C8 | N12 | C13 | O26 | 174.4° | 6.4° |
| N12 | C8 | C7 | H7 | 57.8° | 54.4° |
| N12 | C8 | C7 | H7A | 177.8° | 65.7° |
| N12 | C8 | C7 | H7B | 62.2° | 174.4° |
| N12 | C8 | C9 | H9 | 178.9° | 118.8° |
| C9 | O10 | C11 | N12 | 0.7° | 0.1° |
| C9 | O10 | C11 | O25 | 160.1° | 180.0° |
| O10 | C9 | C8 | H8 | 75.2° | 118.7° |
| O10 | C11 | N12 | O25 | 160.2° | 179.9° |
| O10 | C11 | N12 | C13 | 169.7° | 180.0° |
| C11 | O10 | C9 | H9 | 146.0° | 118.7° |
| C11 | N12 | C13 | C14 | 150.9° | 6.5° |
| C11 | N12 | C13 | O26 | 33.7° | 173.5° |
| C11 | N12 | C8 | H8 | 76.6° | 118.6° |
| O25 | C11 | N12 | C13 | 9.5° | 0.1° |
| N12 | C13 | C14 | O26 | 175.5° | 180.0° |
| N12 | C13 | C14 | C15 | 122.1° | 91.1° |
| N12 | C13 | C14 | C27 | 110.4° | 148.9° |
| C13 | N12 | C8 | H8 | 79.2° | 61.3° |
| N12 | C13 | C14 | H14 | 5.5° | 29.0° |
| C13 | C14 | C15 | C27 | 132.6° | 120.0° |
| C13 | C14 | C15 | H14 | 109.2° | 120.0° |
| C13 | C14 | C27 | H14 | 109.1° | 120.0° |
| C13 | C14 | C15 | C16 | 56.1° | 175.0° |
| C13 | C14 | C15 | O29 | 168.9° | 65.0° |
| C13 | C14 | C27 | C28 | 9.4° | 64.4° |
| C13 | C14 | C15 | H15 | 59.6° | 55.0° |
| C13 | C14 | C27 | H27 | 110.6° | 175.6° |
| C13 | C14 | C27 | H27A | 129.4° | 55.6° |
| O26 | C13 | C14 | C15 | 53.4° | 88.9° |
| O26 | C13 | C14 | C27 | 74.1° | 31.1° |
| O26 | C13 | C14 | H14 | 170.0° | 151.1° |
| C15 | C14 | C27 | H14 | 118.7° | 120.1° |
| C14 | C15 | C16 | O29 | 110.1° | 120.0° |
| C14 | C15 | C16 | H15 | 118.2° | 120.0° |
| C14 | C15 | O29 | H15 | 116.8° | 120.0° |
| C14 | C15 | C16 | C17 | 177.0° | 180.0° |
| C14 | C15 | C16 | C30 | 52.2° | 60.0° |
| C15 | C14 | C27 | C28 | 122.8° | 175.7° |
| C14 | C15 | C16 | H16 | 63.0° | 60.0° |
| C15 | C14 | C27 | H27 | 117.2° | 55.7° |
| C15 | C14 | C27 | H27A | 2.8° | 64.4° |
| C14 | C15 | O29 | HO29 | 180.0° | 60.1° |
| C27 | C14 | C15 | C16 | 171.3° | 65.0° |
| C27 | C14 | C15 | O29 | 58.5° | 55.0° |
| C14 | C27 | C28 | H27 | 120.0° | 120.0° |
| C14 | C27 | C28 | H27A | 120.0° | 120.0° |
| C27 | C14 | C15 | H15 | 73.0° | 175.0° |
| C14 | C27 | H27 | H27A | 116.7° | 120.0° |
| C14 | C27 | C28 | H28 | 180.0° | 55.3° |
| C14 | C27 | C28 | H28A | 60.0° | 64.8° |
| C14 | C27 | C28 | H28B | 60.0° | 175.2° |
| C16 | C15 | O29 | H15 | 114.5° | 120.0° |
| C15 | C16 | C17 | C30 | 124.9° | 120.0° |
| C15 | C16 | C17 | H16 | 119.8° | 120.0° |
| C15 | C16 | C30 | H16 | 119.3° | 119.9° |
| C15 | C16 | C17 | C18 | 57.0° | 175.9° |
| C16 | C15 | C14 | H14 | 53.1° | 55.0° |
| C15 | C16 | C17 | H17 | 177.0° | 64.1° |
| C15 | C16 | C17 | H17A | 63.0° | 55.9° |
| C16 | C15 | O29 | HO29 | 51.3° | 60.0° |
| C15 | C16 | C30 | H30 | 180.0° | 174.9° |
| C15 | C16 | C30 | H30A | 60.0° | 54.9° |
| C15 | C16 | C30 | H30B | 60.0° | 65.2° |
| O29 | C15 | C16 | C17 | 73.0° | 60.0° |
| O29 | C15 | C16 | C30 | 162.3° | 180.0° |
| O29 | C15 | C14 | H14 | 59.6° | 175.0° |
| O29 | C15 | C16 | H16 | 47.0° | 60.0° |
| C17 | C16 | C30 | H16 | 119.6° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 107.5° | 54.5° |
| C16 | C17 | C18 | C31 | 61.5° | 92.4° |
| C16 | C17 | C18 | O33 | 170.3° | 120.6° |
| C17 | C16 | C15 | H15 | 58.8° | 60.0° |
| C16 | C17 | H17 | H17A | 117.2° | 120.0° |
| C17 | C16 | C30 | H30 | 58.9° | 65.1° |
| C17 | C16 | C30 | H30A | 178.9° | 174.9° |
| C17 | C16 | C30 | H30B | 61.1° | 54.9° |
| C30 | C16 | C17 | C18 | 178.1° | 64.1° |
| C30 | C16 | C15 | H15 | 66.0° | 60.1° |
| C30 | C16 | C17 | H17 | 58.1° | 55.9° |
| C30 | C16 | C17 | H17A | 61.9° | 175.9° |
| C16 | C30 | H30 | H30A | 120.0° | 120.0° |
| C16 | C30 | H30 | H30B | 120.0° | 120.0° |
| C16 | C30 | H30A | H30B | 120.0° | 120.0° |
| C17 | C18 | C19 | C31 | 169.1° | 146.3° |
| C17 | C18 | C19 | O33 | 95.7° | 106.8° |
| C17 | C18 | C31 | O33 | 127.8° | 147.0° |
| C17 | C18 | C19 | C20 | 166.0° | 146.4° |
| C17 | C18 | C31 | C32 | 41.9° | 58.3° |
| C18 | C17 | C16 | H16 | 62.8° | 56.0° |
| C18 | C17 | H17 | H17A | 117.2° | 120.0° |
| C17 | C18 | C19 | H19 | 36.6° | 0.1° |
| C17 | C18 | C31 | H31 | 161.9° | 178.3° |
| C17 | C18 | C31 | H31A | 78.1° | 61.7° |
| C19 | C18 | C31 | O33 | 63.6° | 66.1° |
| C18 | C19 | C20 | O33 | 67.1° | 66.0° |
| C18 | C19 | C20 | H19 | 144.2° | 147.0° |
| C18 | C19 | O33 | H19 | 117.5° | 106.8° |
| C18 | C19 | C20 | C21 | 169.1° | 175.0° |
| C19 | C18 | C31 | C32 | 149.4° | 154.7° |
| C19 | C18 | C17 | H17 | 132.5° | 174.5° |
| C19 | C18 | C17 | H17A | 12.5° | 65.5° |
| C18 | C19 | C20 | H20 | 70.9° | 55.1° |
| C18 | C19 | C20 | H20A | 49.1° | 65.0° |
| C19 | C18 | C31 | H31 | 29.4° | 34.7° |
| C19 | C18 | C31 | H31A | 90.6° | 85.2° |
| C31 | C18 | C19 | C20 | 3.1° | 0.1° |
| C18 | C31 | C32 | H31 | 120.0° | 120.0° |
| C18 | C31 | C32 | H31A | 120.0° | 120.0° |
| C31 | C18 | C17 | H17 | 58.5° | 27.5° |
| C31 | C18 | C17 | H17A | 178.5° | 147.6° |
| C31 | C18 | C19 | H19 | 132.5° | 146.2° |
| C18 | C31 | H31 | H31A | 119.6° | 120.0° |
| C18 | C31 | C32 | H32 | 180.0° | 173.9° |
| C18 | C31 | C32 | H32A | 60.0° | 66.0° |
| C18 | C31 | C32 | H32B | 60.0° | 54.0° |
| O33 | C18 | C31 | C32 | 85.9° | 88.7° |
| O33 | C18 | C17 | H17 | 69.7° | 119.5° |
| O33 | C18 | C17 | H17A | 50.3° | 0.6° |
| O33 | C18 | C31 | H31 | 34.1° | 31.4° |
| O33 | C18 | C31 | H31A | 154.1° | 151.3° |
| C20 | C19 | O33 | H19 | 124.4° | 146.3° |
| C19 | C20 | C21 | H20 | 120.0° | 119.9° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 166.6° | 175.3° |
| C19 | C20 | H20 | H20A | 120.9° | 120.1° |
| C19 | C20 | C21 | H21 | 46.5° | 55.3° |
| C19 | C20 | C21 | H21A | 73.4° | 64.7° |
| O33 | C19 | C20 | C21 | 102.0° | 119.0° |
| O33 | C19 | C20 | H20 | 138.0° | 121.1° |
| O33 | C19 | C20 | H20A | 18.0° | 1.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 29.1° | 59.3° |
| C20 | C21 | C22 | C34 | 171.6° | 153.8° |
| C20 | C21 | C22 | O36 | 36.3° | 6.7° |
| C21 | C20 | C19 | H19 | 46.7° | 28.0° |
| C21 | C20 | H20 | H20A | 120.9° | 120.0° |
| C20 | C21 | H21 | H21A | 116.9° | 120.1° |
| C21 | C22 | C23 | C34 | 159.7° | 146.3° |
| C21 | C22 | C23 | O36 | 98.8° | 106.8° |
| C21 | C22 | C34 | O36 | 135.4° | 147.0° |
| C21 | C22 | C23 | C24 | 156.5° | 146.3° |
| C21 | C22 | C34 | C35 | 71.2° | 59.2° |
| C22 | C21 | C20 | H20 | 73.4° | 64.8° |
| C22 | C21 | C20 | H20A | 46.6° | 55.3° |
| C22 | C21 | H21 | H21A | 116.9° | 119.9° |
| C21 | C22 | C23 | H23 | 27.4° | 0.0° |
| C21 | C22 | C34 | H34 | 48.8° | 179.2° |
| C21 | C22 | C34 | H34A | 168.8° | 60.8° |
| C23 | C22 | C34 | O36 | 64.4° | 66.1° |
| C22 | C23 | C24 | O36 | 66.1° | 66.0° |
| C22 | C23 | C24 | H23 | 146.6° | 147.0° |
| C22 | C23 | O36 | H23 | 123.6° | 106.9° |
| C23 | C22 | C34 | C35 | 89.1° | 153.9° |
| C23 | C22 | C21 | H21 | 90.9° | 60.7° |
| C23 | C22 | C21 | H21A | 149.1° | 179.3° |
| C22 | C23 | C24 | H24 | 180.0° | 60.0° |
| C22 | C23 | C24 | H24A | 60.0° | 180.0° |
| C22 | C23 | C24 | H24B | 60.0° | 60.0° |
| C23 | C22 | C34 | H34 | 150.9° | 33.9° |
| C23 | C22 | C34 | H34A | 30.9° | 86.1° |
| C34 | C22 | C23 | C24 | 3.1° | 0.1° |
| C22 | C34 | C35 | H34 | 120.0° | 120.0° |
| C22 | C34 | C35 | H34A | 120.0° | 120.0° |
| C34 | C22 | C21 | H21 | 68.4° | 86.2° |
| C34 | C22 | C21 | H21A | 51.6° | 33.8° |
| C34 | C22 | C23 | H23 | 132.3° | 146.2° |
| C22 | C34 | H34 | H34A | 119.3° | 120.0° |
| C22 | C34 | C35 | H35 | 180.0° | 177.8° |
| C22 | C34 | C35 | H35A | 60.0° | 57.8° |
| C22 | C34 | C35 | H35B | 60.0° | 62.2° |
| O36 | C22 | C34 | C35 | 153.4° | 87.8° |
| O36 | C22 | C21 | H21 | 156.3° | 126.8° |
| O36 | C22 | C21 | H21A | 83.7° | 113.3° |
| O36 | C22 | C34 | H34 | 86.5° | 32.2° |
| O36 | C22 | C34 | H34A | 33.4° | 152.2° |
| C24 | C23 | O36 | H23 | 128.1° | 146.2° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24B | 120.0° | 119.9° |
| C23 | C24 | H24A | H24B | 120.0° | 120.0° |
| O36 | C23 | C24 | H24 | 113.9° | 6.1° |
| O36 | C23 | C24 | H24A | 126.1° | 113.9° |
| O36 | C23 | C24 | H24B | 6.1° | 126.0° |
| C28 | C27 | C14 | H14 | 118.5° | 55.6° |
| C28 | C27 | H27 | H27A | 116.7° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 120.0° |
| C27 | C28 | H28 | H28B | 120.0° | 119.9° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| C32 | C31 | H31 | H31A | 119.5° | 120.0° |
| C31 | C32 | H32 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C35 | C34 | H34 | H34A | 119.4° | 119.9° |
| C34 | C35 | H35 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35B | 120.0° | 120.0° |
| C34 | C35 | H35A | H35B | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 1.5° | 0.0° |
| H3 | C3 | C4 | H4 | 0.9° | 0.0° |
| H4 | C4 | C5 | H5 | 0.4° | 0.1° |
| H5 | C5 | C6 | H6 | 0.5° | 0.1° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 60.9° | 177.2° |
| H7A | C7 | C8 | H8 | 59.1° | 57.2° |
| H7B | C7 | C8 | H8 | 179.1° | 62.7° |
| H8 | C8 | C9 | H9 | 55.8° | 0.1° |
| H14 | C14 | C15 | H15 | 168.8° | 65.0° |
| H14 | C14 | C27 | H27 | 1.5° | 64.4° |
| H14 | C14 | C27 | H27A | 121.5° | 175.6° |
| H15 | C15 | C16 | H16 | 178.8° | 180.0° |
| H15 | C15 | O29 | HO29 | 63.2° | 179.9° |
| H16 | C16 | C17 | H17 | 57.2° | 175.9° |
| H16 | C16 | C17 | H17A | 177.2° | 64.0° |
| H16 | C16 | C30 | H30 | 60.7° | 54.9° |
| H16 | C16 | C30 | H30A | 59.3° | 65.0° |
| H16 | C16 | C30 | H30B | 179.3° | 174.9° |
| H19 | C19 | C20 | H20 | 73.3° | 91.9° |
| H19 | C19 | C20 | H20A | 166.6° | 148.0° |
| H20 | C20 | C21 | H21 | 166.6° | 175.2° |
| H20 | C20 | C21 | H21A | 46.6° | 55.2° |
| H20A | C20 | C21 | H21 | 73.5° | 64.7° |
| H20A | C20 | C21 | H21A | 166.6° | 175.2° |
| H23 | C23 | C24 | H24 | 33.4° | 153.0° |
| H23 | C23 | C24 | H24A | 86.6° | 33.0° |
| H23 | C23 | C24 | H24B | 153.4° | 87.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 60.0° | 175.3° |
| H27 | C27 | C28 | H28A | 180.0° | 55.2° |
| H27 | C27 | C28 | H28B | 60.0° | 64.8° |
| H27A | C27 | C28 | H28 | 60.0° | 64.7° |
| H27A | C27 | C28 | H28A | 60.0° | 175.2° |
| H27A | C27 | C28 | H28B | 180.0° | 55.2° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 60.0° | 53.9° |
| H31 | C31 | C32 | H32A | 180.0° | 174.0° |
| H31 | C31 | C32 | H32B | 60.0° | 66.0° |
| H31A | C31 | C32 | H32 | 60.0° | 66.0° |
| H31A | C31 | C32 | H32A | 60.0° | 54.0° |
| H31A | C31 | C32 | H32B | 180.0° | 174.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H34 | C34 | C35 | H35 | 60.0° | 62.1° |
| H34 | C34 | C35 | H35A | 180.0° | 177.9° |
| H34 | C34 | C35 | H35B | 60.0° | 57.9° |
| H34A | C34 | C35 | H35 | 60.0° | 57.8° |
| H34A | C34 | C35 | H35A | 60.0° | 62.2° |
| H34A | C34 | C35 | H35B | 180.0° | 177.8° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
