2SQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C10 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.51Å | 1.50Å | |
| C10 | C13 | sing | 1.53Å | 1.51Å | |
| C01 | C05 | sing | 1.51Å | 1.53Å | |
| O42 | C41 | doub | 1.21Å | 1.31Å | |
| O44 | C41 | sing | 1.34Å | 1.23Å | |
| C13 | O16 | sing | 1.43Å | 1.44Å | |
| C41 | C25 | sing | 1.51Å | 1.52Å | |
| C06 | C05 | doub | 1.38Å | 1.50Å | Aromatic |
| C06 | C17 | sing | 1.38Å | 1.33Å | Aromatic |
| C05 | C22 | sing | 1.39Å | 1.53Å | Aromatic |
| O16 | C17 | sing | 1.36Å | 1.36Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C25 | O27 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.48Å | 1.50Å | |
| C22 | C20 | doub | 1.39Å | 1.51Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.34Å | |
| C24 | N45 | sing | 1.36Å | 1.43Å | |
| C46 | N45 | sing | 1.47Å | 1.47Å | |
| C23 | C61 | sing | 1.47Å | 1.46Å | |
| N45 | C50 | sing | 1.35Å | 1.40Å | |
| C61 | C59 | doub | 1.39Å | 1.40Å | Aromatic |
| C61 | C52 | sing | 1.41Å | 1.40Å | Aromatic |
| O27 | C28 | sing | 1.43Å | 1.46Å | |
| C50 | C52 | sing | 1.47Å | 1.48Å | |
| C50 | O51 | doub | 1.22Å | 1.22Å | |
| C59 | C57 | sing | 1.38Å | 1.38Å | Aromatic |
| C52 | C53 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.49Å | Aromatic |
| C18 | F19 | sing | 1.35Å | 1.39Å | |
| C57 | C55 | doub | 1.39Å | 1.38Å | Aromatic |
| C53 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C37 | sing | 1.53Å | 1.51Å | |
| C28 | C33 | sing | 1.53Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| O44 | H21 | sing | 0.97Å | 0.95Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| C46 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C53 | H25 | sing | 1.08Å | 1.08Å | |
| C55 | H26 | sing | 1.08Å | 1.08Å | |
| C57 | H27 | sing | 1.08Å | 1.08Å | |
| C59 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C07 | C06 | 110.3° | 109.7° |
| C07 | C10 | C13 | 109.9° | 108.3° |
| C10 | C07 | H4 | 109.3° | 109.4° |
| C10 | C07 | H5 | 109.3° | 109.4° |
| C07 | C10 | H6 | 109.4° | 109.7° |
| C07 | C10 | H7 | 109.4° | 109.7° |
| C07 | C06 | C05 | 117.1° | 118.6° |
| C07 | C06 | C17 | 122.2° | 121.4° |
| C06 | C07 | H4 | 109.2° | 109.5° |
| C06 | C07 | H5 | 109.2° | 109.4° |
| C10 | C13 | O16 | 109.6° | 108.4° |
| C13 | C10 | H6 | 109.4° | 109.7° |
| C13 | C10 | H7 | 109.4° | 109.7° |
| C10 | C13 | H8 | 109.4° | 109.7° |
| C10 | C13 | H9 | 109.4° | 109.8° |
| C01 | C05 | C06 | 121.1° | 119.9° |
| C01 | C05 | C22 | 119.1° | 119.8° |
| C05 | C01 | H1 | 109.5° | 109.5° |
| C05 | C01 | H2 | 109.5° | 109.4° |
| C05 | C01 | H3 | 109.5° | 109.5° |
| O42 | C41 | O44 | 123.3° | 120.0° |
| O42 | C41 | C25 | 117.1° | 120.0° |
| O44 | C41 | C25 | 119.6° | 120.0° |
| C41 | O44 | H21 | 109.5° | 117.0° |
| C13 | O16 | C17 | 113.1° | 117.8° |
| O16 | C13 | H8 | 109.4° | 109.6° |
| O16 | C13 | H9 | 109.4° | 109.7° |
| C41 | C25 | C24 | 111.8° | 109.5° |
| C41 | C25 | O27 | 108.2° | 109.5° |
| C41 | C25 | H11 | 108.2° | 109.5° |
| C05 | C06 | C17 | 120.7° | 119.9° |
| C06 | C05 | C22 | 119.8° | 120.3° |
| C06 | C17 | O16 | 124.2° | 121.8° |
| C06 | C17 | C18 | 121.0° | 119.9° |
| C05 | C22 | C23 | 125.0° | 120.2° |
| C05 | C22 | C20 | 117.5° | 119.7° |
| O16 | C17 | C18 | 114.8° | 118.3° |
| C17 | C18 | C20 | 127.2° | 120.4° |
| C17 | C18 | F19 | 123.7° | 119.9° |
| C24 | C25 | O27 | 111.3° | 109.5° |
| C25 | C24 | C23 | 120.0° | 118.9° |
| C25 | C24 | N45 | 119.6° | 118.9° |
| C24 | C25 | H11 | 108.0° | 109.5° |
| C25 | O27 | C28 | 123.5° | 114.1° |
| O27 | C25 | H11 | 109.3° | 109.4° |
| C23 | C22 | C20 | 117.5° | 120.1° |
| C22 | C23 | C24 | 121.7° | 120.4° |
| C22 | C23 | C61 | 116.5° | 120.4° |
| C22 | C20 | C18 | 113.8° | 119.8° |
| C22 | C20 | H10 | 123.1° | 120.1° |
| C23 | C24 | N45 | 120.4° | 122.2° |
| C24 | C23 | C61 | 121.8° | 119.2° |
| C24 | N45 | C46 | 121.2° | 118.8° |
| C24 | N45 | C50 | 121.8° | 122.4° |
| C46 | N45 | C50 | 116.9° | 118.8° |
| N45 | C46 | H22 | 109.5° | 109.4° |
| N45 | C46 | H23 | 109.4° | 109.4° |
| N45 | C46 | H24 | 109.5° | 109.5° |
| C23 | C61 | C59 | 122.6° | 121.9° |
| C23 | C61 | C52 | 118.0° | 118.3° |
| N45 | C50 | C52 | 117.1° | 119.5° |
| N45 | C50 | O51 | 120.1° | 120.3° |
| C59 | C61 | C52 | 119.4° | 119.8° |
| C61 | C59 | C57 | 120.3° | 119.5° |
| C61 | C59 | H28 | 119.9° | 120.2° |
| C61 | C52 | C50 | 120.9° | 118.4° |
| C61 | C52 | C53 | 119.4° | 119.7° |
| O27 | C28 | C29 | 113.2° | 109.5° |
| O27 | C28 | C37 | 103.8° | 109.5° |
| O27 | C28 | C33 | 107.2° | 109.4° |
| C52 | C50 | O51 | 122.8° | 120.2° |
| C50 | C52 | C53 | 119.7° | 121.9° |
| C59 | C57 | C55 | 120.2° | 120.7° |
| C59 | C57 | H27 | 119.9° | 119.7° |
| C57 | C59 | H28 | 119.9° | 120.2° |
| C52 | C53 | C55 | 120.3° | 119.6° |
| C52 | C53 | H25 | 119.8° | 120.2° |
| C20 | C18 | F19 | 109.1° | 119.8° |
| C18 | C20 | H10 | 123.1° | 120.1° |
| C57 | C55 | C53 | 120.4° | 120.7° |
| C57 | C55 | H26 | 119.8° | 119.6° |
| C55 | C57 | H27 | 119.9° | 119.6° |
| C55 | C53 | H25 | 119.9° | 120.2° |
| C53 | C55 | H26 | 119.8° | 119.7° |
| C29 | C28 | C37 | 110.3° | 109.5° |
| C29 | C28 | C33 | 111.2° | 109.5° |
| C28 | C29 | H12 | 109.5° | 109.5° |
| C28 | C29 | H13 | 109.5° | 109.5° |
| C28 | C29 | H14 | 109.5° | 109.5° |
| C37 | C28 | C33 | 110.8° | 109.5° |
| C28 | C37 | H18 | 109.5° | 109.5° |
| C28 | C37 | H19 | 109.5° | 109.5° |
| C28 | C37 | H20 | 109.5° | 109.5° |
| C28 | C33 | H15 | 109.5° | 109.5° |
| C28 | C33 | H16 | 109.5° | 109.5° |
| C28 | C33 | H17 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.7° |
| H8 | C13 | H9 | 109.5° | 109.7° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H14 | 109.4° | 109.4° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H15 | C33 | H16 | 109.5° | 109.5° |
| H15 | C33 | H17 | 109.5° | 109.5° |
| H16 | C33 | H17 | 109.5° | 109.4° |
| H18 | C37 | H19 | 109.5° | 109.5° |
| H18 | C37 | H20 | 109.4° | 109.5° |
| H19 | C37 | H20 | 109.5° | 109.4° |
| H22 | C46 | H23 | 109.5° | 109.5° |
| H22 | C46 | H24 | 109.5° | 109.5° |
| H23 | C46 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C07 | C06 | H4 | 120.1° | 120.1° |
| C10 | C07 | C06 | H5 | 120.1° | 120.0° |
| C07 | C10 | C13 | H6 | 120.0° | 119.7° |
| C07 | C10 | C13 | H7 | 120.1° | 119.8° |
| C07 | C10 | C13 | O16 | 63.2° | 64.7° |
| C10 | C07 | C06 | C05 | 170.6° | 162.3° |
| C10 | C07 | C06 | C17 | 8.7° | 18.0° |
| C10 | C07 | H4 | H5 | 119.6° | 119.9° |
| C07 | C10 | H6 | H7 | 119.8° | 120.6° |
| C07 | C10 | C13 | H8 | 176.8° | 54.9° |
| C07 | C10 | C13 | H9 | 56.9° | 175.5° |
| C06 | C07 | C10 | C13 | 39.5° | 48.3° |
| C07 | C06 | C05 | C01 | 0.7° | 0.5° |
| C07 | C06 | C05 | C17 | 179.3° | 179.7° |
| C07 | C06 | C05 | C22 | 179.8° | 179.8° |
| C07 | C06 | C17 | O16 | 1.4° | 0.7° |
| C07 | C06 | C17 | C18 | 179.7° | 179.4° |
| C06 | C07 | H4 | H5 | 119.6° | 119.9° |
| C06 | C07 | C10 | H6 | 80.6° | 167.9° |
| C06 | C07 | C10 | H7 | 159.5° | 71.5° |
| C10 | C13 | O16 | H8 | 120.0° | 119.7° |
| C10 | C13 | O16 | H9 | 120.0° | 119.8° |
| C10 | C13 | O16 | C17 | 53.3° | 49.2° |
| C13 | C10 | C07 | H4 | 80.7° | 71.8° |
| C13 | C10 | C07 | H5 | 159.6° | 168.3° |
| C13 | C10 | H6 | H7 | 119.8° | 120.6° |
| C10 | C13 | H8 | H9 | 119.9° | 120.6° |
| C01 | C05 | C06 | C22 | 179.6° | 179.7° |
| C01 | C05 | C06 | C17 | 180.0° | 179.8° |
| C01 | C05 | C22 | C23 | 0.1° | 0.1° |
| C01 | C05 | C22 | C20 | 180.0° | 179.7° |
| C05 | C01 | H1 | H2 | 120.0° | 119.9° |
| C05 | C01 | H1 | H3 | 120.0° | 120.0° |
| C05 | C01 | H2 | H3 | 120.0° | 120.0° |
| O42 | C41 | O44 | C25 | 179.8° | 180.0° |
| O42 | C41 | C25 | C24 | 26.7° | 115.0° |
| O42 | C41 | C25 | O27 | 149.6° | 5.0° |
| O42 | C41 | C25 | H11 | 92.1° | 125.0° |
| O42 | C41 | O44 | H21 | 0.0° | 0.0° |
| O44 | C41 | C25 | C24 | 153.1° | 65.0° |
| O44 | C41 | C25 | O27 | 30.2° | 175.0° |
| O44 | C41 | C25 | H11 | 88.1° | 55.0° |
| C13 | O16 | C17 | C06 | 21.6° | 17.4° |
| C13 | O16 | C17 | C18 | 157.4° | 162.8° |
| O16 | C13 | C10 | H6 | 56.9° | 175.6° |
| O16 | C13 | C10 | H7 | 176.8° | 55.0° |
| O16 | C13 | H8 | H9 | 119.9° | 120.5° |
| C41 | C25 | C24 | O27 | 121.1° | 120.0° |
| C41 | C25 | C24 | H11 | 118.9° | 120.0° |
| C41 | C25 | O27 | H11 | 117.5° | 120.0° |
| C41 | C25 | C24 | C23 | 109.9° | 118.2° |
| C41 | C25 | C24 | N45 | 70.1° | 61.7° |
| C41 | C25 | O27 | C28 | 152.3° | 90.0° |
| C25 | C41 | O44 | H21 | 179.8° | 180.0° |
| C05 | C06 | C17 | O16 | 179.3° | 179.6° |
| C05 | C06 | C17 | C18 | 0.4° | 0.2° |
| C06 | C05 | C22 | C23 | 179.5° | 179.8° |
| C06 | C05 | C22 | C20 | 0.4° | 0.6° |
| C06 | C05 | C01 | H1 | 90.2° | 89.7° |
| C06 | C05 | C01 | H2 | 149.8° | 30.3° |
| C06 | C05 | C01 | H3 | 29.8° | 150.3° |
| C05 | C06 | C07 | H4 | 69.3° | 77.6° |
| C05 | C06 | C07 | H5 | 50.4° | 42.3° |
| C17 | C06 | C05 | C22 | 0.5° | 0.1° |
| C06 | C17 | O16 | C18 | 179.0° | 179.8° |
| C06 | C17 | C18 | C20 | 0.3° | 0.2° |
| C06 | C17 | C18 | F19 | 179.1° | 179.9° |
| C17 | C06 | C07 | H4 | 111.5° | 102.1° |
| C17 | C06 | C07 | H5 | 128.8° | 138.0° |
| C05 | C22 | C23 | C20 | 179.9° | 179.7° |
| C05 | C22 | C23 | C24 | 90.4° | 104.8° |
| C05 | C22 | C23 | C61 | 90.7° | 75.0° |
| C05 | C22 | C20 | C18 | 0.3° | 0.7° |
| C22 | C05 | C01 | H1 | 90.2° | 90.0° |
| C22 | C05 | C01 | H2 | 29.8° | 150.0° |
| C22 | C05 | C01 | H3 | 149.8° | 30.0° |
| C05 | C22 | C20 | H10 | 179.7° | 179.7° |
| O16 | C17 | C18 | C20 | 179.3° | 179.7° |
| O16 | C17 | C18 | F19 | 0.1° | 0.3° |
| C17 | O16 | C13 | H8 | 173.4° | 70.5° |
| C17 | O16 | C13 | H9 | 66.7° | 169.0° |
| C17 | C18 | C20 | C22 | 0.3° | 0.3° |
| C17 | C18 | C20 | F19 | 179.5° | 180.0° |
| C17 | C18 | C20 | H10 | 179.7° | 180.0° |
| C24 | C25 | O27 | H11 | 119.2° | 120.0° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C25 | C24 | C23 | N45 | 180.0° | 180.0° |
| C25 | C24 | N45 | C46 | 0.5° | 0.0° |
| C25 | C24 | C23 | C61 | 179.6° | 179.7° |
| C25 | C24 | N45 | C50 | 179.9° | 180.0° |
| C24 | C25 | O27 | C28 | 84.4° | 150.0° |
| O27 | C25 | C24 | C23 | 129.0° | 121.8° |
| O27 | C25 | C24 | N45 | 51.1° | 58.3° |
| C25 | O27 | C28 | C29 | 47.9° | 180.0° |
| C25 | O27 | C28 | C37 | 167.5° | 60.0° |
| C25 | O27 | C28 | C33 | 75.1° | 60.0° |
| C22 | C23 | C24 | C61 | 178.9° | 179.7° |
| C22 | C23 | C24 | N45 | 179.2° | 180.0° |
| C22 | C23 | C61 | C59 | 1.3° | 0.6° |
| C22 | C23 | C61 | C52 | 179.7° | 179.7° |
| C23 | C22 | C20 | C18 | 179.6° | 179.7° |
| C23 | C22 | C20 | H10 | 0.4° | 0.0° |
| C20 | C22 | C23 | C24 | 89.5° | 75.6° |
| C20 | C22 | C23 | C61 | 89.4° | 104.7° |
| C22 | C20 | C18 | H10 | 180.0° | 179.7° |
| C22 | C20 | C18 | F19 | 179.2° | 179.7° |
| C23 | C24 | N45 | C46 | 179.5° | 180.0° |
| C23 | C24 | N45 | C50 | 0.1° | 0.0° |
| C24 | C23 | C61 | C59 | 179.7° | 179.6° |
| C24 | C23 | C61 | C52 | 0.8° | 0.5° |
| C23 | C24 | C25 | H11 | 9.0° | 1.8° |
| C24 | N45 | C46 | C50 | 179.5° | 180.0° |
| N45 | C24 | C23 | C61 | 0.4° | 0.3° |
| C24 | N45 | C50 | C52 | 0.1° | 0.0° |
| C24 | N45 | C50 | O51 | 179.3° | 180.0° |
| N45 | C24 | C25 | H11 | 171.0° | 178.2° |
| C24 | N45 | C46 | H22 | 180.0° | 84.6° |
| C24 | N45 | C46 | H23 | 60.0° | 155.4° |
| C24 | N45 | C46 | H24 | 60.0° | 35.4° |
| C46 | N45 | C50 | C52 | 179.6° | 180.0° |
| C46 | N45 | C50 | O51 | 0.1° | 0.0° |
| N45 | C46 | H22 | H23 | 120.0° | 119.9° |
| N45 | C46 | H22 | H24 | 120.0° | 120.0° |
| N45 | C46 | H23 | H24 | 120.0° | 120.0° |
| C23 | C61 | C59 | C52 | 179.0° | 179.1° |
| C23 | C61 | C52 | C50 | 0.7° | 0.5° |
| C23 | C61 | C59 | C57 | 179.6° | 179.7° |
| C23 | C61 | C52 | C53 | 179.5° | 179.7° |
| C23 | C61 | C59 | H28 | 0.4° | 0.6° |
| N45 | C50 | C52 | C61 | 0.3° | 0.2° |
| N45 | C50 | C52 | O51 | 179.4° | 180.0° |
| N45 | C50 | C52 | C53 | 179.9° | 180.0° |
| C50 | N45 | C46 | H22 | 0.5° | 95.4° |
| C50 | N45 | C46 | H23 | 120.5° | 24.5° |
| C50 | N45 | C46 | H24 | 119.5° | 144.6° |
| C59 | C61 | C52 | C50 | 179.7° | 179.6° |
| C61 | C59 | C57 | H28 | 180.0° | 179.7° |
| C59 | C61 | C52 | C53 | 0.5° | 0.6° |
| C61 | C59 | C57 | C55 | 0.3° | 0.4° |
| C61 | C59 | C57 | H27 | 179.7° | 179.7° |
| C61 | C52 | C50 | C53 | 179.8° | 179.8° |
| C61 | C52 | C50 | O51 | 179.7° | 179.7° |
| C52 | C61 | C59 | C57 | 0.6° | 0.6° |
| C61 | C52 | C53 | C55 | 0.0° | 0.2° |
| C61 | C52 | C53 | H25 | 180.0° | 179.7° |
| C52 | C61 | C59 | H28 | 179.4° | 179.7° |
| O27 | C28 | C29 | C37 | 115.8° | 120.0° |
| O27 | C28 | C29 | C33 | 120.8° | 120.0° |
| O27 | C28 | C37 | C33 | 114.8° | 119.9° |
| C28 | O27 | C25 | H11 | 34.8° | 30.0° |
| O27 | C28 | C29 | H12 | 180.0° | 60.0° |
| O27 | C28 | C29 | H13 | 60.0° | 180.0° |
| O27 | C28 | C29 | H14 | 60.0° | 60.0° |
| O27 | C28 | C33 | H15 | 180.0° | 60.0° |
| O27 | C28 | C33 | H16 | 60.0° | 180.0° |
| O27 | C28 | C33 | H17 | 60.0° | 60.0° |
| O27 | C28 | C37 | H18 | 180.0° | 60.1° |
| O27 | C28 | C37 | H19 | 60.0° | 179.9° |
| O27 | C28 | C37 | H20 | 60.0° | 60.0° |
| C50 | C52 | C53 | C55 | 179.8° | 180.0° |
| C50 | C52 | C53 | H25 | 0.2° | 0.1° |
| O51 | C50 | C52 | C53 | 0.5° | 0.1° |
| C59 | C57 | C55 | H27 | 180.0° | 180.0° |
| C59 | C57 | C55 | C53 | 0.2° | 0.0° |
| C59 | C57 | C55 | H26 | 179.7° | 179.9° |
| C52 | C53 | C55 | C57 | 0.4° | 0.1° |
| C52 | C53 | C55 | H25 | 180.0° | 180.0° |
| C52 | C53 | C55 | H26 | 179.6° | 180.0° |
| F19 | C18 | C20 | H10 | 0.7° | 0.0° |
| C57 | C55 | C53 | H26 | 180.0° | 179.9° |
| C57 | C55 | C53 | H25 | 179.6° | 180.0° |
| C55 | C57 | C59 | H28 | 179.7° | 180.0° |
| C53 | C55 | C57 | H27 | 179.8° | 180.0° |
| C29 | C28 | C37 | C33 | 123.6° | 120.0° |
| C28 | C29 | H12 | H13 | 120.0° | 120.0° |
| C28 | C29 | H12 | H14 | 120.0° | 120.0° |
| C28 | C29 | H13 | H14 | 120.0° | 120.0° |
| C29 | C28 | C33 | H15 | 55.8° | 180.0° |
| C29 | C28 | C33 | H16 | 175.8° | 60.0° |
| C29 | C28 | C33 | H17 | 64.2° | 60.0° |
| C29 | C28 | C37 | H18 | 58.4° | 60.0° |
| C29 | C28 | C37 | H19 | 61.6° | 60.0° |
| C29 | C28 | C37 | H20 | 178.4° | 179.9° |
| C37 | C28 | C29 | H12 | 64.2° | 180.0° |
| C37 | C28 | C29 | H13 | 175.8° | 60.0° |
| C37 | C28 | C29 | H14 | 55.8° | 60.0° |
| C37 | C28 | C33 | H15 | 67.3° | 60.0° |
| C37 | C28 | C33 | H16 | 52.7° | 60.0° |
| C37 | C28 | C33 | H17 | 172.7° | 180.0° |
| C28 | C37 | H18 | H19 | 120.0° | 120.0° |
| C28 | C37 | H18 | H20 | 120.0° | 120.0° |
| C28 | C37 | H19 | H20 | 120.0° | 120.0° |
| C33 | C28 | C29 | H12 | 59.2° | 60.0° |
| C33 | C28 | C29 | H13 | 60.8° | 60.0° |
| C33 | C28 | C29 | H14 | 179.2° | 180.0° |
| C28 | C33 | H15 | H16 | 120.0° | 120.0° |
| C28 | C33 | H15 | H17 | 120.0° | 120.0° |
| C28 | C33 | H16 | H17 | 120.0° | 120.0° |
| C33 | C28 | C37 | H18 | 65.2° | 180.0° |
| C33 | C28 | C37 | H19 | 174.8° | 60.0° |
| C33 | C28 | C37 | H20 | 54.8° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C07 | C10 | H6 | 159.3° | 47.8° |
| H4 | C07 | C10 | H7 | 39.4° | 168.4° |
| H5 | C07 | C10 | H6 | 39.5° | 72.0° |
| H5 | C07 | C10 | H7 | 80.3° | 48.5° |
| H6 | C10 | C13 | H8 | 63.1° | 64.8° |
| H6 | C10 | C13 | H9 | 176.9° | 55.8° |
| H7 | C10 | C13 | H8 | 56.8° | 174.7° |
| H7 | C10 | C13 | H9 | 63.2° | 64.7° |
| H12 | C29 | H13 | H14 | 119.9° | 120.0° |
| H15 | C33 | H16 | H17 | 120.0° | 119.9° |
| H18 | C37 | H19 | H20 | 120.0° | 120.0° |
| H22 | C46 | H23 | H24 | 120.0° | 120.0° |
| H25 | C53 | C55 | H26 | 0.4° | 0.1° |
| H26 | C55 | C57 | H27 | 0.2° | 0.0° |
| H27 | C57 | C59 | H28 | 0.3° | 0.0° |
