T88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C05 | sing | 1.51Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C21 | sing | 1.40Å | 1.45Å | |
| N24 | S25 | sing | 1.66Å | 1.71Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | O17 | sing | 1.36Å | 1.39Å | |
| C18 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | N09 | sing | 1.47Å | 1.45Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | CL2 | sing | 1.74Å | 1.78Å | |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| O29 | C15 | sing | 1.43Å | 1.40Å | |
| N09 | C14 | sing | 1.47Å | 1.45Å | |
| N09 | C10 | sing | 1.47Å | 1.46Å | |
| C02 | CL1 | sing | 1.74Å | 1.78Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| O28 | S25 | doub | 1.42Å | 1.46Å | |
| S25 | O27 | doub | 1.42Å | 1.46Å | |
| S25 | C26 | sing | 1.81Å | 1.82Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| N24 | H27 | sing | 0.97Å | 1.00Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| O29 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C20 | C19 | H23 | 120.0° | 120.0° |
| C19 | C20 | H24 | 120.0° | 120.0° |
| C20 | C21 | N24 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C21 | C20 | H24 | 120.0° | 120.0° |
| C05 | C07 | C08 | 112.3° | 109.5° |
| C07 | C05 | C06 | 119.9° | 120.0° |
| C07 | C05 | C04 | 120.2° | 120.0° |
| C05 | C07 | H4 | 108.8° | 109.5° |
| C05 | C07 | H5 | 108.8° | 109.5° |
| C07 | C08 | N09 | 110.0° | 109.5° |
| C08 | C07 | H4 | 108.7° | 109.4° |
| C08 | C07 | H5 | 108.7° | 109.5° |
| C07 | C08 | H6 | 109.3° | 109.4° |
| C07 | C08 | H7 | 109.3° | 109.5° |
| C19 | C18 | O17 | 120.0° | 120.0° |
| C19 | C18 | C23 | 119.9° | 120.1° |
| C18 | C19 | H23 | 120.1° | 120.0° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C05 | C06 | C01 | 120.0° | 120.0° |
| C05 | C06 | H3 | 120.0° | 120.0° |
| C05 | C04 | C03 | 120.1° | 120.0° |
| C05 | C04 | H2 | 120.0° | 120.0° |
| C21 | N24 | S25 | 119.7° | 120.0° |
| N24 | C21 | C22 | 119.3° | 120.0° |
| C21 | N24 | H27 | 106.9° | 120.0° |
| N24 | S25 | O28 | 111.0° | 104.2° |
| N24 | S25 | O27 | 111.4° | 104.3° |
| N24 | S25 | C26 | 110.4° | 104.4° |
| S25 | N24 | H27 | 106.8° | 119.9° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C21 | C22 | H25 | 120.0° | 120.0° |
| C06 | C01 | C02 | 120.1° | 120.0° |
| C06 | C01 | CL2 | 120.1° | 120.0° |
| C01 | C06 | H3 | 120.0° | 120.0° |
| C04 | C03 | C02 | 119.8° | 120.0° |
| C04 | C03 | H1 | 120.1° | 120.0° |
| C03 | C04 | H2 | 119.9° | 120.0° |
| O17 | C18 | C23 | 119.7° | 119.9° |
| C18 | O17 | C16 | 113.6° | 117.0° |
| C18 | C23 | C22 | 119.9° | 120.0° |
| C18 | C23 | H26 | 120.1° | 120.0° |
| C08 | N09 | C14 | 109.6° | 111.0° |
| C08 | N09 | C10 | 109.8° | 111.0° |
| N09 | C08 | H6 | 109.3° | 109.4° |
| N09 | C08 | H7 | 109.3° | 109.5° |
| O17 | C16 | C15 | 108.1° | 109.5° |
| O17 | C16 | H21 | 109.8° | 109.5° |
| O17 | C16 | H22 | 109.8° | 109.5° |
| C02 | C01 | CL2 | 119.8° | 120.0° |
| C01 | C02 | C03 | 120.0° | 119.9° |
| C01 | C02 | CL1 | 119.5° | 120.0° |
| C03 | C02 | CL1 | 120.4° | 120.1° |
| C02 | C03 | H1 | 120.1° | 119.9° |
| O29 | C15 | C14 | 109.3° | 109.4° |
| O29 | C15 | C16 | 109.3° | 109.5° |
| O29 | C15 | H20 | 110.8° | 109.4° |
| C15 | O29 | H31 | 109.5° | 114.0° |
| C14 | N09 | C10 | 109.4° | 111.0° |
| N09 | C14 | C15 | 109.8° | 109.5° |
| N09 | C14 | H18 | 109.4° | 109.5° |
| N09 | C14 | H19 | 109.4° | 109.5° |
| N09 | C10 | C11 | 110.5° | 109.5° |
| N09 | C10 | H9 | 109.2° | 109.4° |
| N09 | C10 | H10 | 109.2° | 109.5° |
| C23 | C22 | H25 | 120.0° | 120.0° |
| C22 | C23 | H26 | 120.0° | 120.0° |
| O28 | S25 | O27 | 101.3° | 121.1° |
| O28 | S25 | C26 | 111.1° | 110.6° |
| O27 | S25 | C26 | 111.3° | 110.6° |
| S25 | C26 | H28 | 109.5° | 109.5° |
| S25 | C26 | H29 | 109.5° | 109.4° |
| S25 | C26 | H30 | 109.5° | 109.5° |
| C14 | C15 | C16 | 109.4° | 109.5° |
| C15 | C14 | H18 | 109.4° | 109.5° |
| C15 | C14 | H19 | 109.4° | 109.4° |
| C14 | C15 | H20 | 109.0° | 109.5° |
| C10 | C11 | C12 | 112.5° | 109.5° |
| C11 | C10 | H9 | 109.2° | 109.5° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C10 | C11 | H11 | 108.7° | 109.5° |
| C10 | C11 | H12 | 108.7° | 109.5° |
| C11 | C12 | C13 | 112.4° | 109.5° |
| C12 | C11 | H11 | 108.7° | 109.5° |
| C12 | C11 | H12 | 108.7° | 109.5° |
| C11 | C12 | H13 | 108.7° | 109.4° |
| C11 | C12 | H14 | 108.7° | 109.4° |
| C16 | C15 | H20 | 109.0° | 109.5° |
| C15 | C16 | H21 | 109.8° | 109.5° |
| C15 | C16 | H22 | 109.8° | 109.5° |
| C13 | C12 | H13 | 108.7° | 109.4° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C12 | C13 | H15 | 109.5° | 109.5° |
| C12 | C13 | H16 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| H4 | C07 | H5 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H17 | 109.4° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.4° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H24 | 180.0° | 179.9° |
| C20 | C19 | C18 | H23 | 180.0° | 180.0° |
| C19 | C20 | C21 | N24 | 173.7° | 180.0° |
| C19 | C20 | C21 | C22 | 5.1° | 0.1° |
| C20 | C19 | C18 | O17 | 177.8° | 180.0° |
| C20 | C19 | C18 | C23 | 4.4° | 0.2° |
| C21 | C20 | C19 | C18 | 1.1° | 0.1° |
| C20 | C21 | N24 | C22 | 168.7° | 179.9° |
| C20 | C21 | N24 | S25 | 110.9° | 105.8° |
| C20 | C21 | C22 | C23 | 3.6° | 0.2° |
| C21 | C20 | C19 | H23 | 178.9° | 179.9° |
| C20 | C21 | C22 | H25 | 176.4° | 180.0° |
| C20 | C21 | N24 | H27 | 127.6° | 74.1° |
| C05 | C07 | C08 | H4 | 120.4° | 120.0° |
| C05 | C07 | C08 | H5 | 120.4° | 120.0° |
| C07 | C05 | C06 | C04 | 177.5° | 179.5° |
| C07 | C05 | C06 | C01 | 177.5° | 180.0° |
| C07 | C05 | C04 | C03 | 179.5° | 179.8° |
| C05 | C07 | C08 | N09 | 82.4° | 174.9° |
| C07 | C05 | C04 | H2 | 0.5° | 0.3° |
| C07 | C05 | C06 | H3 | 2.5° | 0.5° |
| C05 | C07 | H4 | H5 | 118.7° | 120.0° |
| C05 | C07 | C08 | H6 | 157.5° | 65.2° |
| C05 | C07 | C08 | H7 | 37.7° | 54.8° |
| C08 | C07 | C05 | C06 | 89.8° | 90.0° |
| C08 | C07 | C05 | C04 | 92.6° | 90.5° |
| C07 | C08 | N09 | H6 | 120.1° | 119.9° |
| C07 | C08 | N09 | H7 | 120.1° | 120.0° |
| C07 | C08 | N09 | C14 | 159.3° | 75.7° |
| C07 | C08 | N09 | C10 | 80.5° | 160.3° |
| C08 | C07 | H4 | H5 | 118.7° | 120.0° |
| C07 | C08 | H6 | H7 | 119.7° | 120.0° |
| C19 | C18 | O17 | C23 | 173.4° | 179.7° |
| C19 | C18 | O17 | C16 | 149.2° | 0.3° |
| C19 | C18 | C23 | C22 | 5.9° | 0.5° |
| C18 | C19 | C20 | H24 | 178.9° | 180.0° |
| C19 | C18 | C23 | H26 | 174.1° | 179.7° |
| C05 | C06 | C01 | H3 | 180.0° | 179.5° |
| C06 | C05 | C04 | C03 | 2.0° | 0.3° |
| C05 | C06 | C01 | C02 | 0.3° | 0.5° |
| C05 | C06 | C01 | CL2 | 179.4° | 179.8° |
| C06 | C05 | C04 | H2 | 178.0° | 179.8° |
| C06 | C05 | C07 | H4 | 149.7° | 150.0° |
| C06 | C05 | C07 | H5 | 30.6° | 30.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.5° |
| C05 | C04 | C03 | H2 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 3.8° | 0.0° |
| C05 | C04 | C03 | H1 | 176.2° | 180.0° |
| C04 | C05 | C06 | H3 | 179.9° | 180.0° |
| C04 | C05 | C07 | H4 | 27.8° | 29.5° |
| C04 | C05 | C07 | H5 | 147.0° | 149.5° |
| C21 | N24 | S25 | H27 | 121.5° | 180.0° |
| N24 | C21 | C22 | C23 | 172.3° | 179.8° |
| C21 | N24 | S25 | O28 | 86.6° | 52.8° |
| C21 | N24 | S25 | O27 | 161.2° | 179.3° |
| C21 | N24 | S25 | C26 | 37.1° | 63.2° |
| N24 | C21 | C20 | H24 | 6.3° | 0.1° |
| N24 | C21 | C22 | H25 | 7.7° | 0.1° |
| S25 | N24 | C21 | C22 | 57.8° | 74.2° |
| N24 | S25 | O28 | O27 | 118.4° | 116.7° |
| N24 | S25 | O28 | C26 | 123.3° | 111.7° |
| N24 | S25 | O27 | C26 | 123.7° | 111.7° |
| N24 | S25 | C26 | H28 | 180.0° | 65.0° |
| N24 | S25 | C26 | H29 | 60.0° | 175.1° |
| N24 | S25 | C26 | H30 | 60.0° | 55.0° |
| C21 | C22 | C23 | C18 | 1.9° | 0.5° |
| C21 | C22 | C23 | H25 | 180.0° | 179.9° |
| C22 | C21 | C20 | H24 | 175.0° | 180.0° |
| C21 | C22 | C23 | H26 | 178.1° | 179.8° |
| C22 | C21 | N24 | H27 | 63.6° | 105.8° |
| C06 | C01 | C02 | CL2 | 179.1° | 179.8° |
| C06 | C01 | C02 | C03 | 1.5° | 0.2° |
| C06 | C01 | C02 | CL1 | 179.4° | 179.8° |
| C04 | C03 | C02 | C01 | 3.6° | 0.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL1 | 178.5° | 180.0° |
| O17 | C18 | C23 | C22 | 179.3° | 179.8° |
| C18 | O17 | C16 | C15 | 172.0° | 180.0° |
| C18 | O17 | C16 | H21 | 68.2° | 60.0° |
| C18 | O17 | C16 | H22 | 52.2° | 60.0° |
| O17 | C18 | C19 | H23 | 2.2° | 0.1° |
| O17 | C18 | C23 | H26 | 0.7° | 0.0° |
| C23 | C18 | O17 | C16 | 24.2° | 180.0° |
| C18 | C23 | C22 | H26 | 180.0° | 179.8° |
| C23 | C18 | C19 | H23 | 175.6° | 179.8° |
| C18 | C23 | C22 | H25 | 178.1° | 179.7° |
| C08 | N09 | C14 | C10 | 120.4° | 123.9° |
| C08 | N09 | C14 | C15 | 167.3° | 170.0° |
| C08 | N09 | C10 | C11 | 131.2° | 75.7° |
| N09 | C08 | C07 | H4 | 38.1° | 54.9° |
| N09 | C08 | C07 | H5 | 157.2° | 65.1° |
| N09 | C08 | H6 | H7 | 119.7° | 120.0° |
| C08 | N09 | C10 | H9 | 108.6° | 164.4° |
| C08 | N09 | C10 | H10 | 11.1° | 44.4° |
| C08 | N09 | C14 | H18 | 47.3° | 50.0° |
| C08 | N09 | C14 | H19 | 72.6° | 70.1° |
| O17 | C16 | C15 | O29 | 54.1° | 65.0° |
| O17 | C16 | C15 | C14 | 65.5° | 175.0° |
| O17 | C16 | C15 | H21 | 119.8° | 120.0° |
| O17 | C16 | C15 | H22 | 119.8° | 120.0° |
| O17 | C16 | C15 | H20 | 175.4° | 55.0° |
| O17 | C16 | H21 | H22 | 120.6° | 120.0° |
| C01 | C02 | C03 | CL1 | 177.9° | 180.0° |
| C01 | C02 | C03 | H1 | 176.5° | 180.0° |
| C02 | C01 | C06 | H3 | 179.7° | 180.0° |
| CL2 | C01 | C02 | C03 | 177.5° | 180.0° |
| CL2 | C01 | C02 | CL1 | 0.4° | 0.0° |
| CL2 | C01 | C06 | H3 | 0.6° | 0.3° |
| C02 | C03 | C04 | H2 | 176.2° | 180.0° |
| O29 | C15 | C14 | N09 | 32.3° | 65.0° |
| O29 | C15 | C14 | C16 | 119.6° | 120.0° |
| O29 | C15 | C14 | H20 | 121.3° | 119.9° |
| O29 | C15 | C16 | H20 | 121.2° | 120.0° |
| O29 | C15 | C14 | H18 | 87.8° | 55.1° |
| O29 | C15 | C14 | H19 | 152.3° | 175.0° |
| O29 | C15 | C16 | H21 | 65.6° | 55.0° |
| O29 | C15 | C16 | H22 | 173.9° | 175.0° |
| N09 | C14 | C15 | H18 | 120.0° | 120.1° |
| N09 | C14 | C15 | H19 | 120.1° | 119.9° |
| C14 | N09 | C10 | C11 | 108.6° | 160.4° |
| N09 | C14 | C15 | C16 | 151.9° | 175.0° |
| C14 | N09 | C08 | H6 | 39.2° | 44.3° |
| C14 | N09 | C08 | H7 | 80.6° | 164.3° |
| C14 | N09 | C10 | H9 | 11.6° | 40.4° |
| C14 | N09 | C10 | H10 | 131.3° | 79.6° |
| N09 | C14 | H18 | H19 | 119.9° | 120.0° |
| N09 | C14 | C15 | H20 | 89.0° | 54.9° |
| C10 | N09 | C14 | C15 | 72.3° | 66.0° |
| N09 | C10 | C11 | H9 | 120.2° | 119.9° |
| N09 | C10 | C11 | H10 | 120.1° | 120.0° |
| N09 | C10 | C11 | C12 | 93.0° | 174.8° |
| C10 | N09 | C08 | H6 | 159.3° | 79.7° |
| C10 | N09 | C08 | H7 | 39.5° | 40.3° |
| N09 | C10 | H9 | H10 | 119.5° | 120.0° |
| N09 | C10 | C11 | H11 | 146.6° | 65.2° |
| N09 | C10 | C11 | H12 | 27.5° | 54.8° |
| C10 | N09 | C14 | H18 | 167.6° | 173.9° |
| C10 | N09 | C14 | H19 | 47.8° | 53.9° |
| CL1 | C02 | C03 | H1 | 1.4° | 0.0° |
| O28 | S25 | O27 | C26 | 118.2° | 131.6° |
| O28 | S25 | N24 | H27 | 151.9° | 127.2° |
| O28 | S25 | C26 | H28 | 56.4° | 176.5° |
| O28 | S25 | C26 | H29 | 63.6° | 63.5° |
| O28 | S25 | C26 | H30 | 176.4° | 56.5° |
| O27 | S25 | N24 | H27 | 39.8° | 0.6° |
| O27 | S25 | C26 | H28 | 55.8° | 46.7° |
| O27 | S25 | C26 | H29 | 175.8° | 73.3° |
| O27 | S25 | C26 | H30 | 64.2° | 166.7° |
| C26 | S25 | N24 | H27 | 84.4° | 116.7° |
| S25 | C26 | H28 | H29 | 120.0° | 119.9° |
| S25 | C26 | H28 | H30 | 120.0° | 120.0° |
| S25 | C26 | H29 | H30 | 120.0° | 120.0° |
| C14 | C15 | C16 | H20 | 119.1° | 120.1° |
| C15 | C14 | H18 | H19 | 119.9° | 119.9° |
| C14 | C15 | C16 | H21 | 174.7° | 65.0° |
| C14 | C15 | C16 | H22 | 54.3° | 55.0° |
| C14 | C15 | O29 | H31 | 180.0° | 60.0° |
| C10 | C11 | C12 | H11 | 120.5° | 120.0° |
| C10 | C11 | C12 | H12 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 167.9° | 180.0° |
| C11 | C10 | H9 | H10 | 119.5° | 120.1° |
| C10 | C11 | H11 | H12 | 118.6° | 120.0° |
| C10 | C11 | C12 | H13 | 71.7° | 60.1° |
| C10 | C11 | C12 | H14 | 47.5° | 60.0° |
| C11 | C12 | C13 | H13 | 120.4° | 120.0° |
| C11 | C12 | C13 | H14 | 120.4° | 120.0° |
| C12 | C11 | C10 | H9 | 27.2° | 54.9° |
| C12 | C11 | C10 | H10 | 146.9° | 65.1° |
| C12 | C11 | H11 | H12 | 118.6° | 120.0° |
| C11 | C12 | H13 | H14 | 118.7° | 120.0° |
| C11 | C12 | C13 | H15 | 180.0° | 59.9° |
| C11 | C12 | C13 | H16 | 60.0° | 180.0° |
| C11 | C12 | C13 | H17 | 60.0° | 60.0° |
| C16 | C15 | C14 | H18 | 31.9° | 64.9° |
| C16 | C15 | C14 | H19 | 88.0° | 55.0° |
| C15 | C16 | H21 | H22 | 120.6° | 120.0° |
| C16 | C15 | O29 | H31 | 60.3° | 60.0° |
| C13 | C12 | C11 | H11 | 47.4° | 60.0° |
| C13 | C12 | C11 | H12 | 71.7° | 60.0° |
| C13 | C12 | H13 | H14 | 118.7° | 120.0° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| C12 | C13 | H15 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H17 | 120.0° | 120.0° |
| H1 | C03 | C04 | H2 | 3.8° | 0.0° |
| H4 | C07 | C08 | H6 | 82.0° | 174.8° |
| H4 | C07 | C08 | H7 | 158.1° | 65.2° |
| H5 | C07 | C08 | H6 | 37.1° | 54.8° |
| H5 | C07 | C08 | H7 | 82.7° | 174.8° |
| H9 | C10 | C11 | H11 | 93.2° | 174.9° |
| H9 | C10 | C11 | H12 | 147.6° | 65.2° |
| H10 | C10 | C11 | H11 | 26.4° | 54.8° |
| H10 | C10 | C11 | H12 | 92.7° | 174.8° |
| H11 | C11 | C12 | H13 | 167.9° | 179.9° |
| H11 | C11 | C12 | H14 | 73.0° | 60.0° |
| H12 | C11 | C12 | H13 | 48.8° | 60.0° |
| H12 | C11 | C12 | H14 | 167.9° | 180.0° |
| H13 | C12 | C13 | H15 | 59.5° | 60.0° |
| H13 | C12 | C13 | H16 | 179.6° | 60.0° |
| H13 | C12 | C13 | H17 | 60.4° | 180.0° |
| H14 | C12 | C13 | H15 | 59.6° | 179.9° |
| H14 | C12 | C13 | H16 | 60.4° | 60.0° |
| H14 | C12 | C13 | H17 | 179.6° | 60.0° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| H18 | C14 | C15 | H20 | 151.0° | 175.0° |
| H19 | C14 | C15 | H20 | 31.1° | 65.0° |
| H20 | C15 | C16 | H21 | 55.6° | 175.0° |
| H20 | C15 | C16 | H22 | 64.8° | 65.0° |
| H20 | C15 | O29 | H31 | 59.9° | 180.0° |
| H23 | C19 | C20 | H24 | 1.1° | 0.0° |
| H25 | C22 | C23 | H26 | 1.9° | 0.1° |
| H28 | C26 | H29 | H30 | 120.0° | 120.1° |
