D3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N7 | sing | 1.40Å | 1.39Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.50Å | 1.51Å | |
| C8 | O22 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.50Å | 1.53Å | |
| C9 | C13 | sing | 1.54Å | 1.55Å | |
| C9 | C10 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| C10 | C21 | sing | 1.51Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.48Å | |
| C21 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.48Å | 1.47Å | |
| N11 | C14 | sing | 1.35Å | 1.40Å | |
| C26 | C28 | sing | 1.48Å | 1.51Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| O16 | C14 | sing | 1.35Å | 1.39Å | |
| O16 | C17 | sing | 1.45Å | 1.48Å | |
| C20 | C17 | sing | 1.53Å | 1.55Å | |
| C14 | O15 | doub | 1.22Å | 1.21Å | |
| C28 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| O38 | S36 | doub | 1.42Å | 1.41Å | |
| C30 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | S36 | sing | 1.76Å | 1.71Å | |
| C31 | C34 | sing | 1.51Å | 1.54Å | |
| S36 | C39 | sing | 1.81Å | 1.67Å | |
| S36 | O37 | doub | 1.42Å | 1.42Å | |
| C34 | O35 | sing | 1.43Å | 1.38Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| O35 | H29 | sing | 0.97Å | 0.95Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.5° | 120.3° |
| C2 | C3 | C4 | 118.5° | 120.2° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | H8 | 120.8° | 119.9° |
| C2 | C1 | C6 | 120.6° | 119.9° |
| C1 | C2 | H2 | 119.7° | 119.8° |
| C2 | C1 | H16 | 119.7° | 120.1° |
| C3 | C4 | N7 | 129.1° | 130.8° |
| C3 | C4 | C5 | 121.4° | 119.0° |
| C4 | C3 | H8 | 120.8° | 119.9° |
| C1 | C6 | C5 | 119.5° | 120.0° |
| C1 | C6 | H1 | 120.3° | 120.0° |
| C6 | C1 | H16 | 119.7° | 120.0° |
| N7 | C4 | C5 | 109.5° | 110.2° |
| C4 | N7 | C8 | 112.0° | 112.1° |
| C4 | N7 | H17 | 124.0° | 123.9° |
| C4 | C5 | C6 | 119.5° | 120.6° |
| C4 | C5 | C9 | 108.4° | 105.8° |
| N7 | C8 | O22 | 125.8° | 126.7° |
| N7 | C8 | C9 | 108.2° | 106.6° |
| C8 | N7 | H17 | 124.0° | 124.0° |
| C6 | C5 | C9 | 132.0° | 133.7° |
| C5 | C6 | H1 | 120.2° | 119.9° |
| C5 | C9 | C8 | 101.4° | 105.3° |
| C5 | C9 | C13 | 115.7° | 111.7° |
| C5 | C9 | C10 | 116.4° | 112.1° |
| O22 | C8 | C9 | 126.0° | 126.7° |
| C8 | C9 | C13 | 111.6° | 111.6° |
| C8 | C9 | C10 | 106.3° | 112.0° |
| C13 | C9 | C10 | 105.1° | 104.3° |
| C9 | C13 | C12 | 105.2° | 101.5° |
| C9 | C13 | H3 | 110.5° | 111.0° |
| C9 | C13 | H4 | 110.5° | 111.1° |
| C9 | C10 | C21 | 116.2° | 109.9° |
| C9 | C10 | N11 | 97.7° | 107.0° |
| C9 | C10 | H9 | 107.2° | 110.0° |
| C24 | C23 | C21 | 119.7° | 120.2° |
| C23 | C24 | C25 | 120.9° | 120.2° |
| C24 | C23 | H20 | 120.2° | 119.9° |
| C23 | C24 | H21 | 119.5° | 119.9° |
| C23 | C21 | C10 | 115.0° | 119.9° |
| C23 | C21 | C27 | 119.1° | 120.2° |
| C21 | C23 | H20 | 120.2° | 119.9° |
| C24 | C25 | C26 | 121.0° | 119.9° |
| C25 | C24 | H21 | 119.6° | 119.9° |
| C24 | C25 | H22 | 119.5° | 120.1° |
| C13 | C12 | N11 | 104.2° | 105.0° |
| C12 | C13 | H3 | 110.5° | 111.0° |
| C12 | C13 | H4 | 110.5° | 111.0° |
| C13 | C12 | H18 | 110.8° | 110.3° |
| C13 | C12 | H19 | 110.8° | 110.4° |
| C21 | C10 | N11 | 119.1° | 110.0° |
| C10 | C21 | C27 | 125.9° | 119.9° |
| C21 | C10 | H9 | 107.5° | 110.0° |
| C10 | N11 | C12 | 112.3° | 108.6° |
| C10 | N11 | C14 | 124.9° | 125.7° |
| N11 | C10 | H9 | 108.3° | 110.0° |
| C21 | C27 | C26 | 121.0° | 119.8° |
| C21 | C27 | H23 | 119.5° | 120.2° |
| C25 | C26 | C27 | 118.3° | 119.7° |
| C25 | C26 | C28 | 121.0° | 120.1° |
| C26 | C25 | H22 | 119.5° | 120.1° |
| C27 | C26 | C28 | 120.6° | 120.1° |
| C26 | C27 | H23 | 119.5° | 120.0° |
| C12 | N11 | C14 | 122.4° | 125.7° |
| N11 | C12 | H18 | 110.8° | 110.4° |
| N11 | C12 | H19 | 110.8° | 110.3° |
| N11 | C14 | O16 | 114.7° | 120.0° |
| N11 | C14 | O15 | 123.6° | 120.0° |
| C26 | C28 | C33 | 121.0° | 120.1° |
| C26 | C28 | C29 | 121.3° | 120.1° |
| C19 | C17 | O16 | 107.4° | 109.5° |
| C19 | C17 | C20 | 114.0° | 109.4° |
| C19 | C17 | C18 | 110.1° | 109.5° |
| C17 | C19 | H10 | 109.5° | 109.5° |
| C17 | C19 | H11 | 109.5° | 109.5° |
| C17 | C19 | H12 | 109.5° | 109.5° |
| C14 | O16 | C17 | 128.7° | 117.0° |
| O16 | C14 | O15 | 121.6° | 120.0° |
| O16 | C17 | C20 | 102.2° | 109.5° |
| O16 | C17 | C18 | 110.9° | 109.5° |
| C20 | C17 | C18 | 111.9° | 109.5° |
| C17 | C20 | H13 | 109.5° | 109.4° |
| C17 | C20 | H14 | 109.5° | 109.5° |
| C17 | C20 | H15 | 109.5° | 109.5° |
| C33 | C28 | C29 | 117.6° | 119.8° |
| C28 | C33 | C32 | 121.3° | 119.9° |
| C28 | C33 | H26 | 119.3° | 120.0° |
| C28 | C29 | C30 | 120.6° | 119.8° |
| C28 | C29 | H24 | 119.7° | 120.1° |
| C17 | C18 | H5 | 109.5° | 109.5° |
| C17 | C18 | H6 | 109.5° | 109.5° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C33 | C32 | C31 | 121.9° | 120.1° |
| C33 | C32 | H25 | 119.0° | 119.9° |
| C32 | C33 | H26 | 119.3° | 120.1° |
| C29 | C30 | C31 | 121.7° | 120.2° |
| C29 | C30 | S36 | 119.7° | 119.9° |
| C30 | C29 | H24 | 119.7° | 120.1° |
| C32 | C31 | C30 | 116.8° | 120.3° |
| C32 | C31 | C34 | 116.1° | 119.8° |
| C31 | C32 | H25 | 119.1° | 120.0° |
| O38 | S36 | C30 | 109.9° | 104.3° |
| O38 | S36 | C39 | 107.7° | 110.6° |
| O38 | S36 | O37 | 116.3° | 121.0° |
| C31 | C30 | S36 | 118.5° | 119.9° |
| C30 | C31 | C34 | 127.1° | 119.9° |
| C30 | S36 | C39 | 111.3° | 104.5° |
| C30 | S36 | O37 | 111.9° | 104.3° |
| C31 | C34 | O35 | 113.2° | 109.5° |
| C31 | C34 | H27 | 108.5° | 109.4° |
| C31 | C34 | H28 | 108.5° | 109.4° |
| C39 | S36 | O37 | 99.2° | 110.5° |
| S36 | C39 | H30 | 109.5° | 109.5° |
| S36 | C39 | H31 | 109.5° | 109.5° |
| S36 | C39 | H32 | 109.5° | 109.4° |
| O35 | C34 | H27 | 108.5° | 109.5° |
| O35 | C34 | H28 | 108.5° | 109.5° |
| C34 | O35 | H29 | 109.5° | 114.1° |
| H3 | C13 | H4 | 109.5° | 110.9° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H5 | C18 | H7 | 109.4° | 109.5° |
| H6 | C18 | H7 | 109.4° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.4° | 109.4° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 110.4° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H32 | 109.5° | 109.4° |
| H31 | C39 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C2 | C3 | C4 | H8 | 180.0° | 179.7° |
| C3 | C2 | C1 | C6 | 0.4° | 0.5° |
| C2 | C3 | C4 | N7 | 175.4° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C1 | H16 | 179.6° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C2 | C1 | C6 | H16 | 180.0° | 179.6° |
| C2 | C1 | C6 | C5 | 0.2° | 0.4° |
| C2 | C1 | C6 | H1 | 179.8° | 179.8° |
| C1 | C2 | C3 | H8 | 179.9° | 180.0° |
| C3 | C4 | N7 | C5 | 176.8° | 180.0° |
| C3 | C4 | N7 | C8 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 1.7° | 0.2° |
| C3 | C4 | C5 | C9 | 176.5° | 179.9° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | N7 | H17 | 0.2° | 0.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.1° |
| C1 | C6 | C5 | H1 | 180.0° | 179.8° |
| C1 | C6 | C5 | C9 | 176.5° | 179.9° |
| C6 | C1 | C2 | H2 | 179.6° | 179.8° |
| C4 | N7 | C8 | H17 | 180.0° | 179.9° |
| N7 | C4 | C5 | C6 | 175.4° | 179.9° |
| N7 | C4 | C5 | C9 | 6.4° | 0.1° |
| C4 | N7 | C8 | O22 | 177.4° | 179.8° |
| C4 | N7 | C8 | C9 | 1.6° | 0.0° |
| N7 | C4 | C3 | H8 | 4.6° | 0.3° |
| C5 | C4 | N7 | C8 | 3.0° | 0.1° |
| C4 | C5 | C6 | C9 | 177.7° | 179.9° |
| C4 | C5 | C9 | C8 | 6.8° | 0.1° |
| C4 | C5 | C9 | C13 | 127.8° | 121.3° |
| C4 | C5 | C9 | C10 | 108.1° | 122.0° |
| C4 | C5 | C6 | H1 | 178.8° | 179.9° |
| C5 | C4 | C3 | H8 | 178.9° | 179.7° |
| C5 | C4 | N7 | H17 | 177.0° | 180.0° |
| N7 | C8 | C9 | C5 | 5.1° | 0.0° |
| N7 | C8 | O22 | C9 | 178.9° | 179.8° |
| N7 | C8 | C9 | C13 | 128.9° | 121.4° |
| N7 | C8 | C9 | C10 | 117.1° | 122.1° |
| C6 | C5 | C9 | C8 | 175.3° | 179.9° |
| C6 | C5 | C9 | C13 | 54.3° | 58.6° |
| C6 | C5 | C9 | C10 | 69.8° | 58.1° |
| C5 | C6 | C1 | H16 | 179.9° | 179.9° |
| C5 | C9 | C8 | O22 | 174.0° | 179.8° |
| C5 | C9 | C8 | C13 | 123.8° | 121.4° |
| C5 | C9 | C8 | C10 | 122.2° | 122.1° |
| C5 | C9 | C13 | C10 | 129.9° | 121.3° |
| C5 | C9 | C13 | C12 | 156.2° | 155.4° |
| C5 | C9 | C10 | C21 | 38.8° | 22.6° |
| C5 | C9 | C10 | N11 | 166.7° | 141.9° |
| C9 | C5 | C6 | H1 | 3.5° | 0.0° |
| C5 | C9 | C13 | H3 | 36.9° | 37.4° |
| C5 | C9 | C13 | H4 | 84.5° | 86.5° |
| C5 | C9 | C10 | H9 | 81.3° | 98.7° |
| O22 | C8 | C9 | C13 | 50.2° | 58.4° |
| O22 | C8 | C9 | C10 | 63.9° | 58.1° |
| O22 | C8 | N7 | H17 | 2.6° | 0.2° |
| C8 | C9 | C13 | C10 | 114.8° | 121.1° |
| C8 | C9 | C13 | C12 | 88.5° | 87.0° |
| C8 | C9 | C10 | C21 | 150.9° | 140.7° |
| C8 | C9 | C10 | N11 | 81.2° | 99.9° |
| C8 | C9 | C13 | H3 | 152.2° | 155.0° |
| C8 | C9 | C13 | H4 | 30.8° | 31.1° |
| C8 | C9 | C10 | H9 | 30.8° | 19.5° |
| C9 | C8 | N7 | H17 | 178.4° | 179.9° |
| C9 | C13 | C12 | H3 | 119.3° | 118.0° |
| C9 | C13 | C12 | H4 | 119.3° | 118.1° |
| C13 | C9 | C10 | C21 | 90.6° | 98.5° |
| C13 | C9 | C10 | N11 | 37.3° | 20.9° |
| C9 | C13 | C12 | N11 | 3.8° | 35.8° |
| C9 | C13 | H3 | H4 | 122.0° | 124.0° |
| C13 | C9 | C10 | H9 | 149.2° | 140.3° |
| C9 | C13 | C12 | H18 | 123.0° | 154.7° |
| C9 | C13 | C12 | H19 | 115.3° | 83.1° |
| C9 | C10 | C21 | C23 | 106.7° | 79.3° |
| C10 | C9 | C13 | C12 | 26.3° | 34.1° |
| C9 | C10 | C21 | N11 | 116.4° | 117.5° |
| C9 | C10 | C21 | H9 | 120.0° | 121.2° |
| C9 | C10 | N11 | H9 | 111.0° | 119.4° |
| C9 | C10 | C21 | C27 | 70.5° | 101.0° |
| C9 | C10 | N11 | C12 | 37.4° | 2.0° |
| C9 | C10 | N11 | C14 | 135.4° | 178.0° |
| C10 | C9 | C13 | H3 | 93.0° | 83.9° |
| C10 | C9 | C13 | H4 | 145.6° | 152.2° |
| C24 | C23 | C21 | H20 | 180.0° | 180.0° |
| C23 | C24 | C25 | H21 | 180.0° | 180.0° |
| C24 | C23 | C21 | C10 | 176.8° | 180.0° |
| C24 | C23 | C21 | C27 | 0.6° | 0.3° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | H22 | 179.8° | 180.0° |
| C21 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C21 | C10 | C27 | 177.2° | 179.7° |
| C23 | C21 | C10 | N11 | 136.8° | 38.3° |
| C23 | C21 | C27 | C26 | 1.2° | 0.5° |
| C23 | C21 | C10 | H9 | 13.3° | 159.5° |
| C21 | C23 | C24 | H21 | 179.9° | 180.0° |
| C23 | C21 | C27 | H23 | 178.9° | 179.7° |
| C24 | C25 | C26 | H22 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.2° |
| C24 | C25 | C26 | C28 | 176.8° | 180.0° |
| C25 | C24 | C23 | H20 | 179.9° | 180.0° |
| C13 | C12 | N11 | C10 | 22.4° | 23.9° |
| C13 | C12 | N11 | H18 | 119.2° | 118.9° |
| C13 | C12 | N11 | H19 | 119.1° | 118.9° |
| C13 | C12 | N11 | C14 | 150.6° | 156.0° |
| C12 | C13 | H3 | H4 | 122.0° | 124.0° |
| C13 | C12 | H18 | H19 | 122.4° | 122.2° |
| C21 | C10 | N11 | H9 | 123.1° | 121.3° |
| C10 | C21 | C27 | C26 | 175.9° | 179.8° |
| C21 | C10 | N11 | C12 | 88.5° | 121.3° |
| C21 | C10 | N11 | C14 | 98.8° | 58.7° |
| C10 | C21 | C23 | H20 | 3.1° | 0.0° |
| C10 | C21 | C27 | H23 | 4.0° | 0.0° |
| N11 | C10 | C21 | C27 | 46.0° | 141.4° |
| C10 | N11 | C12 | C14 | 173.0° | 180.0° |
| C10 | N11 | C14 | O16 | 9.3° | 180.0° |
| C10 | N11 | C14 | O15 | 167.4° | 0.0° |
| C10 | N11 | C12 | H18 | 96.8° | 142.8° |
| C10 | N11 | C12 | H19 | 141.5° | 95.0° |
| C21 | C27 | C26 | C25 | 1.0° | 0.5° |
| C21 | C27 | C26 | H23 | 180.0° | 179.8° |
| C21 | C27 | C26 | C28 | 176.1° | 179.7° |
| C27 | C21 | C10 | H9 | 169.5° | 20.2° |
| C27 | C21 | C23 | H20 | 179.4° | 179.7° |
| C25 | C26 | C27 | C28 | 177.1° | 179.8° |
| C25 | C26 | C28 | C33 | 150.4° | 180.0° |
| C25 | C26 | C28 | C29 | 26.9° | 0.3° |
| C26 | C25 | C24 | H21 | 179.8° | 180.0° |
| C25 | C26 | C27 | H23 | 179.0° | 179.8° |
| C27 | C26 | C28 | C33 | 26.6° | 0.2° |
| C27 | C26 | C28 | C29 | 156.1° | 179.5° |
| C27 | C26 | C25 | H22 | 179.7° | 179.8° |
| C12 | N11 | C14 | O16 | 178.6° | 0.0° |
| C12 | N11 | C14 | O15 | 4.6° | 180.0° |
| N11 | C12 | C13 | H3 | 115.5° | 82.2° |
| N11 | C12 | C13 | H4 | 123.1° | 153.9° |
| C12 | N11 | C10 | H9 | 148.4° | 117.4° |
| N11 | C12 | H18 | H19 | 122.5° | 122.2° |
| N11 | C14 | O16 | O15 | 176.9° | 180.0° |
| N11 | C14 | O16 | C17 | 172.0° | 180.0° |
| C14 | N11 | C10 | H9 | 24.3° | 62.6° |
| C14 | N11 | C12 | H18 | 90.2° | 37.2° |
| C14 | N11 | C12 | H19 | 31.5° | 85.1° |
| C26 | C28 | C33 | C29 | 177.4° | 179.7° |
| C26 | C28 | C33 | C32 | 176.9° | 179.8° |
| C26 | C28 | C29 | C30 | 176.7° | 180.0° |
| C28 | C26 | C25 | H22 | 3.2° | 0.0° |
| C28 | C26 | C27 | H23 | 3.9° | 0.1° |
| C26 | C28 | C29 | H24 | 3.3° | 0.1° |
| C26 | C28 | C33 | H26 | 3.1° | 0.0° |
| C19 | C17 | O16 | C14 | 69.9° | 60.0° |
| C19 | C17 | O16 | C20 | 120.2° | 119.9° |
| C19 | C17 | O16 | C18 | 120.3° | 120.0° |
| C19 | C17 | C20 | C18 | 125.8° | 120.0° |
| C19 | C17 | C18 | H5 | 180.0° | 60.0° |
| C19 | C17 | C18 | H6 | 60.0° | 180.0° |
| C19 | C17 | C18 | H7 | 60.0° | 60.0° |
| C17 | C19 | H10 | H11 | 120.0° | 120.1° |
| C17 | C19 | H10 | H12 | 120.0° | 120.0° |
| C17 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C17 | C20 | H13 | 180.0° | 180.0° |
| C19 | C17 | C20 | H14 | 60.0° | 60.0° |
| C19 | C17 | C20 | H15 | 60.0° | 60.1° |
| C14 | O16 | C17 | C20 | 169.8° | 180.0° |
| C14 | O16 | C17 | C18 | 50.4° | 60.0° |
| O16 | C17 | C20 | C18 | 118.7° | 120.0° |
| C17 | O16 | C14 | O15 | 4.8° | 0.0° |
| O16 | C17 | C18 | H5 | 61.3° | 60.0° |
| O16 | C17 | C18 | H6 | 58.7° | 60.0° |
| O16 | C17 | C18 | H7 | 178.7° | 180.0° |
| O16 | C17 | C19 | H10 | 180.0° | 180.0° |
| O16 | C17 | C19 | H11 | 60.0° | 60.0° |
| O16 | C17 | C19 | H12 | 60.0° | 60.0° |
| O16 | C17 | C20 | H13 | 64.5° | 60.0° |
| O16 | C17 | C20 | H14 | 175.5° | 60.0° |
| O16 | C17 | C20 | H15 | 55.5° | 180.0° |
| C20 | C17 | C18 | H5 | 52.1° | 180.0° |
| C20 | C17 | C18 | H6 | 172.2° | 60.0° |
| C20 | C17 | C18 | H7 | 67.9° | 59.9° |
| C20 | C17 | C19 | H10 | 67.5° | 60.1° |
| C20 | C17 | C19 | H11 | 172.4° | 60.0° |
| C20 | C17 | C19 | H12 | 52.5° | 180.0° |
| C17 | C20 | H13 | H14 | 120.0° | 120.0° |
| C17 | C20 | H13 | H15 | 120.0° | 120.0° |
| C17 | C20 | H14 | H15 | 120.0° | 120.1° |
| C28 | C33 | C32 | H26 | 180.0° | 179.8° |
| C33 | C28 | C29 | C30 | 0.6° | 0.3° |
| C28 | C33 | C32 | C31 | 0.1° | 0.5° |
| C33 | C28 | C29 | H24 | 179.3° | 179.8° |
| C28 | C33 | C32 | H25 | 179.9° | 179.7° |
| C29 | C28 | C33 | C32 | 0.5° | 0.5° |
| C28 | C29 | C30 | H24 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.3° | 0.1° |
| C28 | C29 | C30 | S36 | 177.4° | 180.0° |
| C29 | C28 | C33 | H26 | 179.6° | 179.7° |
| C17 | C18 | H5 | H6 | 120.0° | 120.0° |
| C17 | C18 | H5 | H7 | 120.0° | 120.1° |
| C17 | C18 | H6 | H7 | 120.0° | 120.0° |
| C18 | C17 | C19 | H10 | 59.2° | 60.0° |
| C18 | C17 | C19 | H11 | 60.8° | 180.0° |
| C18 | C17 | C19 | H12 | 179.2° | 60.0° |
| C18 | C17 | C20 | H13 | 54.2° | 60.0° |
| C18 | C17 | C20 | H14 | 65.8° | 180.0° |
| C18 | C17 | C20 | H15 | 174.2° | 60.0° |
| C33 | C32 | C31 | H25 | 180.0° | 179.7° |
| C33 | C32 | C31 | C30 | 0.5° | 0.3° |
| C33 | C32 | C31 | C34 | 177.5° | 179.8° |
| C29 | C30 | C31 | C32 | 0.3° | 0.1° |
| C29 | C30 | S36 | O38 | 91.9° | 2.9° |
| C29 | C30 | C31 | S36 | 177.7° | 180.0° |
| C29 | C30 | C31 | C34 | 177.5° | 180.0° |
| C29 | C30 | S36 | C39 | 27.4° | 113.2° |
| C29 | C30 | S36 | O37 | 137.3° | 130.7° |
| C32 | C31 | C30 | C34 | 177.8° | 179.9° |
| C32 | C31 | C30 | S36 | 178.0° | 180.0° |
| C32 | C31 | C34 | O35 | 43.5° | 5.4° |
| C31 | C32 | C33 | H26 | 179.9° | 179.7° |
| C32 | C31 | C34 | H27 | 164.1° | 125.4° |
| C32 | C31 | C34 | H28 | 77.0° | 114.6° |
| O38 | S36 | C30 | C31 | 85.9° | 177.1° |
| O38 | S36 | C30 | C39 | 119.2° | 116.1° |
| O38 | S36 | C30 | O37 | 130.8° | 127.8° |
| O38 | S36 | C39 | O37 | 121.5° | 136.7° |
| O38 | S36 | C39 | H30 | 180.0° | 177.9° |
| O38 | S36 | C39 | H31 | 60.0° | 62.1° |
| O38 | S36 | C39 | H32 | 60.0° | 58.0° |
| C31 | C30 | S36 | C39 | 154.8° | 66.8° |
| C31 | C30 | S36 | O37 | 44.9° | 49.3° |
| C30 | C31 | C34 | O35 | 138.7° | 174.6° |
| C31 | C30 | C29 | H24 | 179.7° | 179.9° |
| C30 | C31 | C32 | H25 | 179.5° | 180.0° |
| C30 | C31 | C34 | H27 | 18.2° | 54.5° |
| C30 | C31 | C34 | H28 | 100.7° | 65.4° |
| S36 | C30 | C31 | C34 | 0.3° | 0.0° |
| C30 | S36 | C39 | O37 | 118.0° | 111.6° |
| S36 | C30 | C29 | H24 | 2.6° | 0.1° |
| C30 | S36 | C39 | H30 | 59.4° | 66.3° |
| C30 | S36 | C39 | H31 | 60.5° | 173.7° |
| C30 | S36 | C39 | H32 | 179.5° | 53.7° |
| C31 | C34 | O35 | H27 | 120.6° | 120.0° |
| C31 | C34 | O35 | H28 | 120.6° | 120.0° |
| C34 | C31 | C32 | H25 | 2.5° | 0.1° |
| C31 | C34 | H27 | H28 | 118.3° | 119.9° |
| C31 | C34 | O35 | H29 | 180.0° | 180.0° |
| S36 | C39 | H30 | H31 | 120.0° | 120.1° |
| S36 | C39 | H30 | H32 | 120.0° | 119.9° |
| S36 | C39 | H31 | H32 | 120.0° | 120.0° |
| O37 | S36 | C39 | H30 | 58.5° | 45.4° |
| O37 | S36 | C39 | H31 | 178.5° | 74.7° |
| O37 | S36 | C39 | H32 | 61.5° | 165.3° |
| O35 | C34 | H27 | H28 | 118.3° | 120.0° |
| H1 | C6 | C1 | H16 | 0.2° | 0.2° |
| H2 | C2 | C3 | H8 | 0.1° | 0.3° |
| H2 | C2 | C1 | H16 | 0.4° | 0.2° |
| H3 | C13 | C12 | H18 | 3.7° | 36.7° |
| H3 | C13 | C12 | H19 | 125.4° | 158.9° |
| H4 | C13 | C12 | H18 | 117.7° | 87.2° |
| H4 | C13 | C12 | H19 | 4.0° | 35.0° |
| H5 | C18 | H6 | H7 | 119.9° | 120.0° |
| H10 | C19 | H11 | H12 | 120.0° | 119.9° |
| H13 | C20 | H14 | H15 | 119.9° | 120.0° |
| H20 | C23 | C24 | H21 | 0.1° | 0.0° |
| H21 | C24 | C25 | H22 | 0.2° | 0.0° |
| H25 | C32 | C33 | H26 | 0.1° | 0.0° |
| H27 | C34 | O35 | H29 | 59.4° | 60.0° |
| H28 | C34 | O35 | H29 | 59.5° | 60.0° |
| H30 | C39 | H31 | H32 | 120.0° | 120.0° |
