8LL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C06 | sing | 1.40Å | 1.45Å | Aromatic |
| C12 | N11 | sing | 1.47Å | 1.44Å | |
| C08 | C07 | doub | 1.36Å | 1.40Å | Aromatic |
| N11 | C13 | sing | 1.47Å | 1.39Å | |
| N11 | C01 | sing | 1.39Å | 1.47Å | |
| C06 | C01 | doub | 1.41Å | 1.45Å | Aromatic |
| C06 | C05 | sing | 1.42Å | 1.37Å | Aromatic |
| C07 | C05 | sing | 1.41Å | 1.45Å | Aromatic |
| C07 | S14 | sing | 1.76Å | 1.81Å | |
| N17 | S14 | sing | 1.66Å | 1.71Å | |
| N17 | C18 | sing | 1.46Å | 1.42Å | |
| C01 | C02 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.58Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C05 | C04 | doub | 1.40Å | 1.46Å | Aromatic |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| O16 | S14 | doub | 1.42Å | 1.43Å | |
| S14 | O15 | doub | 1.42Å | 1.43Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.08Å | 1.08Å | |
| C03 | H14 | sing | 1.08Å | 1.08Å | |
| C04 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 30.00Å | |
| C22 | O1 | sing | 1.43Å | 0.00Å | |
| O1 | C23 | sing | 1.43Å | 31.45Å | |
| C26 | C27 | sing | 1.53Å | 33.37Å | |
| C27 | C28 | sing | 1.53Å | 0.00Å | |
| N17 | H7 | sing | 0.97Å | 1.00Å | |
| C22 | H12 | sing | 1.09Å | 0.00Å | |
| C22 | H29 | sing | 1.09Å | 0.00Å | |
| C27 | H30 | sing | 1.09Å | 0.00Å | |
| C27 | H31 | sing | 1.09Å | 0.00Å | |
| C28 | H32 | sing | 1.09Å | 0.00Å | |
| C28 | H33 | sing | 1.09Å | 0.00Å | |
| C28 | H34 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 114.8° | 109.5° |
| C25 | C26 | H10 | 123.4° | 109.4° |
| C25 | C26 | H11 | 123.4° | 109.5° |
| C26 | C25 | H27 | 108.1° | 109.4° |
| C26 | C25 | H28 | 108.1° | 109.5° |
| C25 | C26 | C27 | 35.4° | 109.5° |
| C25 | C24 | C23 | 115.0° | 109.5° |
| C25 | C24 | H8 | 108.1° | 109.5° |
| C25 | C24 | H9 | 108.1° | 109.4° |
| C24 | C25 | H27 | 108.2° | 109.5° |
| C24 | C25 | H28 | 108.1° | 109.5° |
| C23 | C24 | H8 | 108.0° | 109.5° |
| C23 | C24 | H9 | 108.0° | 109.4° |
| C24 | C23 | H25 | 104.6° | 109.4° |
| C24 | C23 | H26 | 104.6° | 109.5° |
| C24 | C23 | O1 | 128.3° | 109.4° |
| C10 | C09 | C08 | 119.0° | 121.0° |
| C09 | C10 | C06 | 119.4° | 119.7° |
| C09 | C10 | H1 | 120.3° | 120.2° |
| C10 | C09 | H17 | 120.5° | 119.6° |
| C09 | C08 | C07 | 122.1° | 121.0° |
| C09 | C08 | H16 | 119.0° | 119.5° |
| C08 | C09 | H17 | 120.5° | 119.5° |
| C10 | C06 | C01 | 119.9° | 121.3° |
| C10 | C06 | C05 | 121.3° | 119.4° |
| C06 | C10 | H1 | 120.3° | 120.1° |
| C12 | N11 | C13 | 119.1° | 111.0° |
| C12 | N11 | C01 | 120.5° | 111.0° |
| N11 | C12 | H18 | 109.5° | 109.5° |
| N11 | C12 | H19 | 109.5° | 109.5° |
| N11 | C12 | H20 | 109.5° | 109.5° |
| C08 | C07 | C05 | 118.7° | 119.6° |
| C08 | C07 | S14 | 120.6° | 120.2° |
| C07 | C08 | H16 | 119.0° | 119.5° |
| C13 | N11 | C01 | 120.5° | 111.0° |
| N11 | C13 | H2 | 109.5° | 109.5° |
| N11 | C13 | H3 | 109.4° | 109.5° |
| N11 | C13 | H4 | 109.5° | 109.4° |
| N11 | C01 | C06 | 121.0° | 120.3° |
| N11 | C01 | C02 | 119.7° | 120.3° |
| C01 | C06 | C05 | 118.9° | 119.3° |
| C06 | C01 | C02 | 119.3° | 119.4° |
| C06 | C05 | C07 | 119.6° | 119.3° |
| C06 | C05 | C04 | 121.2° | 119.5° |
| C05 | C07 | S14 | 120.7° | 120.2° |
| C07 | C05 | C04 | 119.2° | 121.2° |
| C07 | S14 | N17 | 107.7° | 107.2° |
| C07 | S14 | O16 | 109.0° | 106.4° |
| C07 | S14 | O15 | 117.6° | 106.5° |
| S14 | N17 | C18 | 115.5° | 120.0° |
| N17 | S14 | O16 | 113.0° | 106.4° |
| N17 | S14 | O15 | 108.9° | 106.4° |
| S14 | N17 | H7 | 107.9° | 120.0° |
| N17 | C18 | C19 | 113.1° | 109.5° |
| N17 | C18 | H21 | 108.6° | 109.5° |
| N17 | C18 | H22 | 108.6° | 109.5° |
| C18 | N17 | H7 | 107.9° | 120.0° |
| C01 | C02 | C03 | 121.3° | 120.8° |
| C01 | C02 | H13 | 119.3° | 119.6° |
| C18 | C19 | O20 | 105.8° | 109.5° |
| C19 | C18 | H21 | 108.6° | 109.4° |
| C19 | C18 | H22 | 108.6° | 109.4° |
| C18 | C19 | H23 | 110.4° | 109.5° |
| C18 | C19 | H24 | 110.4° | 109.5° |
| C19 | O20 | C21 | 116.8° | 114.0° |
| O20 | C19 | H23 | 110.4° | 109.4° |
| O20 | C19 | H24 | 110.4° | 109.5° |
| C05 | C04 | C03 | 119.3° | 120.0° |
| C05 | C04 | H15 | 120.4° | 120.0° |
| O20 | C21 | H5 | 118.4° | 109.5° |
| O20 | C21 | H6 | 118.5° | 109.4° |
| O20 | C21 | C22 | 68.9° | 109.5° |
| O16 | S14 | O15 | 100.7° | 123.1° |
| C02 | C03 | C04 | 120.0° | 121.1° |
| C03 | C02 | H13 | 119.4° | 119.6° |
| C02 | C03 | H14 | 120.0° | 119.4° |
| C04 | C03 | H14 | 120.0° | 119.5° |
| C03 | C04 | H15 | 120.3° | 120.0° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H5 | C21 | C22 | 118.4° | 109.5° |
| H6 | C21 | C22 | 118.4° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | C27 | 123.4° | 109.4° |
| H11 | C26 | C27 | 123.3° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H18 | C12 | H20 | 109.4° | 109.5° |
| H19 | C12 | H20 | 109.4° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | O1 | 104.6° | 109.5° |
| H26 | C23 | O1 | 104.6° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.4° |
| C21 | C22 | O1 | 90.0° | 109.5° |
| C21 | C22 | H12 | 90.0° | 109.5° |
| C21 | C22 | H29 | 90.0° | 109.5° |
| C22 | O1 | C23 | 90.0° | 114.0° |
| O1 | C22 | H12 | 90.0° | 109.5° |
| O1 | C22 | H29 | 90.0° | 109.4° |
| C26 | C27 | C28 | 90.0° | 109.5° |
| C26 | C27 | H30 | 90.0° | 109.5° |
| C26 | C27 | H31 | 90.0° | 109.4° |
| C28 | C27 | H30 | 90.0° | 109.5° |
| C28 | C27 | H31 | 90.0° | 109.5° |
| C27 | C28 | H32 | 90.0° | 109.5° |
| C27 | C28 | H33 | 90.0° | 109.4° |
| C27 | C28 | H34 | 90.0° | 109.5° |
| H12 | C22 | H29 | 90.0° | 109.5° |
| H30 | C27 | H31 | 90.0° | 109.5° |
| H32 | C28 | H33 | 90.0° | 109.5° |
| H32 | C28 | H34 | 90.0° | 109.5° |
| H33 | C28 | H34 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H27 | 120.8° | 120.0° |
| C26 | C25 | C24 | H28 | 120.8° | 120.1° |
| C26 | C25 | C24 | C23 | 138.9° | 179.9° |
| C26 | C25 | C24 | H8 | 100.3° | 60.0° |
| C26 | C25 | C24 | H9 | 18.1° | 60.0° |
| C25 | C26 | H10 | H11 | 158.7° | 120.0° |
| C25 | C26 | H10 | C27 | 42.7° | 120.0° |
| C25 | C26 | H11 | C27 | 42.7° | 120.0° |
| C26 | C25 | H27 | H28 | 117.6° | 120.0° |
| C25 | C26 | C27 | C28 | 90.0° | 180.0° |
| C25 | C26 | C27 | H30 | 90.0° | 60.0° |
| C25 | C26 | C27 | H31 | 90.0° | 60.0° |
| C25 | C24 | C23 | H8 | 120.8° | 120.0° |
| C25 | C24 | C23 | H9 | 120.8° | 120.0° |
| C25 | C24 | H8 | H9 | 117.5° | 120.0° |
| C24 | C25 | C26 | H10 | 62.3° | 60.0° |
| C24 | C25 | C26 | H11 | 93.5° | 60.0° |
| C25 | C24 | C23 | H25 | 164.4° | 60.0° |
| C25 | C24 | C23 | H26 | 80.5° | 60.0° |
| C24 | C25 | H27 | H28 | 117.6° | 120.0° |
| C25 | C24 | C23 | O1 | 42.0° | 180.0° |
| C24 | C25 | C26 | C27 | 164.4° | NaN° |
| C23 | C24 | H8 | H9 | 117.4° | 120.0° |
| C24 | C23 | H25 | H26 | 111.6° | 120.0° |
| C24 | C23 | H25 | O1 | 136.8° | 120.0° |
| C24 | C23 | H26 | O1 | 136.8° | 120.0° |
| C23 | C24 | C25 | H27 | 18.1° | 60.0° |
| C23 | C24 | C25 | H28 | 100.3° | 60.0° |
| C24 | C23 | O1 | C22 | 90.0° | 180.0° |
| C10 | C09 | C08 | H17 | 180.0° | 180.0° |
| C09 | C10 | C06 | H1 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 0.5° | 0.6° |
| C09 | C10 | C06 | C01 | 179.9° | 179.8° |
| C09 | C10 | C06 | C05 | 0.2° | 0.2° |
| C10 | C09 | C08 | H16 | 179.6° | 179.8° |
| C08 | C09 | C10 | C06 | 0.2° | 0.1° |
| C09 | C08 | C07 | H16 | 180.0° | 179.3° |
| C09 | C08 | C07 | C05 | 0.8° | 0.8° |
| C09 | C08 | C07 | S14 | 179.5° | 179.7° |
| C08 | C09 | C10 | H1 | 179.8° | 179.7° |
| C10 | C06 | C01 | N11 | 0.1° | 0.0° |
| C10 | C06 | C01 | C05 | 179.9° | 180.0° |
| C10 | C06 | C05 | C07 | 0.6° | 0.0° |
| C10 | C06 | C01 | C02 | 180.0° | 180.0° |
| C10 | C06 | C05 | C04 | 180.0° | 180.0° |
| C06 | C10 | C09 | H17 | 179.9° | 180.0° |
| C12 | N11 | C13 | C01 | 179.3° | 124.0° |
| C12 | N11 | C01 | C06 | 88.5° | 116.1° |
| C12 | N11 | C01 | C02 | 91.4° | 64.0° |
| C12 | N11 | C13 | H2 | 180.0° | 176.0° |
| C12 | N11 | C13 | H3 | 60.0° | 56.0° |
| C12 | N11 | C13 | H4 | 60.0° | 63.9° |
| N11 | C12 | H18 | H19 | 120.0° | 120.0° |
| N11 | C12 | H18 | H20 | 120.0° | 120.0° |
| N11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C08 | C07 | C05 | C06 | 0.8° | 0.5° |
| C08 | C07 | C05 | S14 | 178.8° | 179.5° |
| C08 | C07 | S14 | N17 | 80.1° | 116.0° |
| C08 | C07 | C05 | C04 | 179.8° | 179.5° |
| C08 | C07 | S14 | O16 | 42.8° | 130.5° |
| C08 | C07 | S14 | O15 | 156.4° | 2.4° |
| C07 | C08 | C09 | H17 | 179.6° | 179.5° |
| C13 | N11 | C01 | C06 | 92.1° | 120.0° |
| C13 | N11 | C01 | C02 | 87.9° | 60.0° |
| N11 | C13 | H2 | H3 | 120.0° | 120.0° |
| N11 | C13 | H2 | H4 | 120.0° | 120.0° |
| N11 | C13 | H3 | H4 | 120.0° | 119.9° |
| C13 | N11 | C12 | H18 | 180.0° | 56.1° |
| C13 | N11 | C12 | H19 | 60.0° | 176.0° |
| C13 | N11 | C12 | H20 | 60.0° | 64.0° |
| N11 | C01 | C06 | C02 | 179.9° | 179.9° |
| N11 | C01 | C06 | C05 | 179.8° | 180.0° |
| N11 | C01 | C02 | C03 | 179.7° | 180.0° |
| C01 | N11 | C13 | H2 | 0.7° | 60.0° |
| C01 | N11 | C13 | H3 | 120.7° | 180.0° |
| C01 | N11 | C13 | H4 | 119.4° | 60.0° |
| N11 | C01 | C02 | H13 | 0.3° | 0.0° |
| C01 | N11 | C12 | H18 | 0.7° | 180.0° |
| C01 | N11 | C12 | H19 | 119.4° | 60.0° |
| C01 | N11 | C12 | H20 | 120.7° | 60.0° |
| C01 | C06 | C05 | C07 | 179.6° | 180.0° |
| C01 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C01 | C02 | C03 | 0.2° | 0.1° |
| C01 | C06 | C10 | H1 | 0.1° | 0.0° |
| C06 | C01 | C02 | H13 | 179.8° | 179.9° |
| C06 | C05 | C07 | C04 | 179.4° | 180.0° |
| C06 | C05 | C07 | S14 | 179.6° | 180.0° |
| C05 | C06 | C01 | C02 | 0.2° | 0.1° |
| C06 | C05 | C04 | C03 | 0.2° | 0.0° |
| C05 | C06 | C10 | H1 | 179.8° | 180.0° |
| C06 | C05 | C04 | H15 | 179.8° | 179.9° |
| C05 | C07 | S14 | N17 | 98.6° | 63.6° |
| C05 | C07 | S14 | O16 | 138.5° | 50.0° |
| C05 | C07 | S14 | O15 | 24.8° | 177.1° |
| C07 | C05 | C04 | C03 | 179.6° | 180.0° |
| C07 | C05 | C04 | H15 | 0.4° | 0.1° |
| C05 | C07 | C08 | H16 | 179.2° | 180.0° |
| C07 | S14 | N17 | O16 | 120.4° | 113.5° |
| C07 | S14 | N17 | O15 | 128.6° | 113.6° |
| C07 | S14 | N17 | C18 | 117.4° | 63.9° |
| S14 | C07 | C05 | C04 | 1.0° | 0.0° |
| C07 | S14 | O16 | O15 | 124.3° | 123.0° |
| S14 | C07 | C08 | H16 | 0.5° | 0.5° |
| C07 | S14 | N17 | H7 | 3.4° | 116.2° |
| S14 | N17 | C18 | H7 | 120.9° | 179.9° |
| S14 | N17 | C18 | C19 | 176.0° | 163.8° |
| N17 | S14 | O16 | O15 | 116.0° | 122.9° |
| S14 | N17 | C18 | H21 | 63.5° | 76.2° |
| S14 | N17 | C18 | H22 | 55.4° | 43.9° |
| N17 | C18 | C19 | H21 | 120.5° | 120.0° |
| N17 | C18 | C19 | H22 | 120.5° | 120.0° |
| N17 | C18 | C19 | O20 | 131.4° | 65.0° |
| C18 | N17 | S14 | O16 | 122.1° | 177.4° |
| C18 | N17 | S14 | O15 | 11.2° | 49.7° |
| N17 | C18 | H21 | H22 | 118.3° | 120.1° |
| N17 | C18 | C19 | H23 | 109.1° | 175.0° |
| N17 | C18 | C19 | H24 | 12.0° | 55.0° |
| C01 | C02 | C03 | H13 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C01 | C02 | C03 | H14 | 179.7° | 180.0° |
| C18 | C19 | O20 | H23 | 119.4° | 120.0° |
| C18 | C19 | O20 | H24 | 119.4° | 120.0° |
| C18 | C19 | O20 | C21 | 177.8° | 180.0° |
| C19 | C18 | H21 | H22 | 118.3° | 119.9° |
| C18 | C19 | H23 | H24 | 121.7° | 120.0° |
| C19 | C18 | N17 | H7 | 55.1° | 16.1° |
| C19 | O20 | C21 | H5 | 80.6° | 60.0° |
| C19 | O20 | C21 | H6 | 55.8° | 60.0° |
| O20 | C19 | C18 | H21 | 10.9° | 55.0° |
| O20 | C19 | C18 | H22 | 108.0° | 175.0° |
| O20 | C19 | H23 | H24 | 121.7° | 120.0° |
| C19 | O20 | C21 | C22 | 167.6° | 180.0° |
| C05 | C04 | C03 | C02 | 0.3° | 0.0° |
| C05 | C04 | C03 | H15 | 180.0° | 179.9° |
| C05 | C04 | C03 | H14 | 179.7° | 180.0° |
| O20 | C21 | H5 | H6 | 139.9° | 119.9° |
| O20 | C21 | H5 | C22 | 80.1° | 120.1° |
| O20 | C21 | H6 | C22 | 80.1° | 120.0° |
| C21 | O20 | C19 | H23 | 62.8° | 60.0° |
| C21 | O20 | C19 | H24 | 58.4° | 60.0° |
| O20 | C21 | C22 | O1 | 90.0° | 65.0° |
| O20 | C21 | C22 | H12 | 90.0° | 175.0° |
| O20 | C21 | C22 | H29 | 90.0° | 55.0° |
| O16 | S14 | N17 | H7 | 117.0° | 2.6° |
| O15 | S14 | N17 | H7 | 132.0° | 130.2° |
| C02 | C03 | C04 | H14 | 180.0° | 179.9° |
| C02 | C03 | C04 | H15 | 179.7° | 180.0° |
| C04 | C03 | C02 | H13 | 179.7° | 180.0° |
| H1 | C10 | C09 | H17 | 0.1° | 0.2° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H5 | C21 | H6 | C22 | 139.9° | 120.0° |
| H5 | C21 | C22 | O1 | 90.0° | 55.0° |
| H5 | C21 | C22 | H12 | 90.0° | 65.0° |
| H5 | C21 | C22 | H29 | 90.0° | 175.0° |
| H6 | C21 | C22 | O1 | 90.0° | 175.0° |
| H6 | C21 | C22 | H12 | 90.0° | 55.0° |
| H6 | C21 | C22 | H29 | 90.0° | 65.0° |
| H8 | C24 | C23 | H25 | 43.6° | 60.0° |
| H8 | C24 | C23 | H26 | 158.7° | 180.0° |
| H8 | C24 | C25 | H27 | 138.9° | 180.0° |
| H8 | C24 | C25 | H28 | 20.5° | 60.0° |
| H8 | C24 | C23 | O1 | 78.9° | 60.0° |
| H9 | C24 | C23 | H25 | 74.7° | 179.9° |
| H9 | C24 | C23 | H26 | 40.3° | 60.0° |
| H9 | C24 | C25 | H27 | 102.7° | 60.0° |
| H9 | C24 | C25 | H28 | 138.9° | 179.9° |
| H9 | C24 | C23 | O1 | 162.8° | 60.1° |
| H10 | C26 | H11 | C27 | 158.6° | 120.0° |
| H10 | C26 | C25 | H27 | 58.5° | 179.9° |
| H10 | C26 | C25 | H28 | 176.9° | 60.0° |
| H10 | C26 | C27 | C28 | 90.0° | 60.0° |
| H10 | C26 | C27 | H30 | 90.0° | 180.0° |
| H10 | C26 | C27 | H31 | 90.0° | 60.0° |
| H11 | C26 | C25 | H27 | 145.8° | 60.1° |
| H11 | C26 | C25 | H28 | 27.3° | 180.0° |
| H11 | C26 | C27 | C28 | 90.0° | 60.0° |
| H11 | C26 | C27 | H30 | 90.0° | 60.0° |
| H11 | C26 | C27 | H31 | 90.0° | 180.0° |
| H13 | C02 | C03 | H14 | 0.3° | 0.0° |
| H14 | C03 | C04 | H15 | 0.3° | 0.1° |
| H16 | C08 | C09 | H17 | 0.4° | 0.2° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | C19 | H23 | 130.3° | 65.0° |
| H21 | C18 | C19 | H24 | 108.5° | 175.0° |
| H21 | C18 | N17 | H7 | 175.6° | 103.8° |
| H22 | C18 | C19 | H23 | 11.4° | 55.0° |
| H22 | C18 | C19 | H24 | 132.5° | 65.0° |
| H22 | C18 | N17 | H7 | 65.5° | 136.1° |
| H25 | C23 | H26 | O1 | 111.6° | 120.1° |
| H25 | C23 | O1 | C22 | 90.0° | 60.0° |
| H26 | C23 | O1 | C22 | 90.0° | 60.0° |
| H27 | C25 | C26 | C27 | 43.7° | 60.0° |
| H28 | C25 | C26 | C27 | 74.8° | 59.9° |
| C21 | C22 | O1 | H12 | 90.0° | 120.0° |
| C21 | C22 | O1 | H29 | 90.0° | 120.0° |
| C21 | C22 | O1 | C23 | 90.0° | 180.0° |
| C21 | C22 | H12 | H29 | 90.0° | 120.0° |
| O1 | C22 | H12 | H29 | 90.0° | 120.0° |
| C23 | O1 | C22 | H12 | 90.0° | 60.0° |
| C23 | O1 | C22 | H29 | 90.0° | 60.0° |
| C26 | C27 | C28 | H30 | 90.0° | 120.0° |
| C26 | C27 | C28 | H31 | 90.0° | 120.0° |
| C26 | C27 | H30 | H31 | 90.0° | 120.0° |
| C26 | C27 | C28 | H32 | 90.0° | 60.0° |
| C26 | C27 | C28 | H33 | 90.0° | 180.0° |
| C26 | C27 | C28 | H34 | 90.0° | 60.0° |
| C28 | C27 | H30 | H31 | 90.0° | 120.0° |
| C27 | C28 | H32 | H33 | 90.0° | 119.9° |
| C27 | C28 | H32 | H34 | 90.0° | 120.0° |
| C27 | C28 | H33 | H34 | 90.0° | 120.0° |
| H30 | C27 | C28 | H32 | 90.0° | 60.0° |
| H30 | C27 | C28 | H33 | 90.0° | 60.0° |
| H30 | C27 | C28 | H34 | 90.0° | 180.0° |
| H31 | C27 | C28 | H32 | 90.0° | 180.0° |
| H31 | C27 | C28 | H33 | 90.0° | 60.0° |
| H31 | C27 | C28 | H34 | 90.0° | 59.9° |
| H32 | C28 | H33 | H34 | 90.0° | 120.1° |
