34S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.39Å | 1.41Å | |
| C02 | N36 | doub | 1.33Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| N36 | C34 | sing | 1.32Å | 1.33Å | Aromatic |
| C38 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C40 | C22 | sing | 1.40Å | 1.44Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.49Å | |
| C04 | C05 | sing | 1.51Å | 1.49Å | |
| C03 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | N35 | sing | 1.38Å | 1.43Å | |
| C34 | N33 | doub | 1.33Å | 1.34Å | Aromatic |
| C22 | C19 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | doub | 1.40Å | 1.31Å | Aromatic |
| C05 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | N18 | doub | 1.30Å | 1.41Å | |
| C32 | N33 | sing | 1.33Å | 1.34Å | Aromatic |
| C23 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| N18 | N17 | sing | 1.40Å | 1.36Å | |
| C13 | C14 | sing | 1.47Å | 1.49Å | |
| C13 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.37Å | |
| C07 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.38Å | |
| C10 | O11 | sing | 1.36Å | 1.38Å | |
| N17 | C20 | sing | 1.47Å | 1.46Å | |
| N17 | C16 | sing | 1.35Å | 1.42Å | |
| C09 | O08 | sing | 1.43Å | 1.38Å | |
| C20 | C24 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.46Å | 1.49Å | |
| C16 | O30 | doub | 1.22Å | 1.22Å | |
| O11 | C12 | sing | 1.43Å | 1.39Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H1 | sing | 1.08Å | 1.08Å | |
| C40 | H2 | sing | 1.08Å | 1.08Å | |
| C38 | H3 | sing | 1.08Å | 1.08Å | |
| C37 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.08Å | 1.08Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| N35 | H24 | sing | 0.97Å | 1.00Å | |
| N35 | H25 | sing | 0.97Å | 1.00Å | |
| N01 | H26 | sing | 0.97Å | 1.00Å | |
| N01 | H27 | sing | 0.97Å | 1.00Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N36 | 120.2° | 120.5° |
| N01 | C02 | C03 | 120.7° | 120.5° |
| C02 | N01 | H26 | 109.5° | 120.0° |
| C02 | N01 | H27 | 109.5° | 120.0° |
| N36 | C02 | C03 | 119.1° | 119.1° |
| C02 | N36 | C34 | 121.2° | 120.6° |
| C02 | C03 | C04 | 120.5° | 120.8° |
| C02 | C03 | C32 | 118.6° | 118.5° |
| N36 | C34 | N35 | 119.3° | 119.2° |
| N36 | C34 | N33 | 120.9° | 121.7° |
| C40 | C38 | C37 | 120.1° | 120.2° |
| C38 | C40 | C22 | 119.8° | 119.7° |
| C38 | C40 | H2 | 120.1° | 120.1° |
| C40 | C38 | H3 | 120.0° | 119.9° |
| C38 | C37 | C23 | 120.2° | 120.4° |
| C37 | C38 | H3 | 120.0° | 119.8° |
| C38 | C37 | H4 | 119.9° | 119.9° |
| C40 | C22 | C19 | 120.1° | 120.8° |
| C40 | C22 | C21 | 120.3° | 119.7° |
| C22 | C40 | H2 | 120.1° | 120.2° |
| C03 | C04 | C05 | 110.2° | 109.5° |
| C04 | C03 | C32 | 120.9° | 120.7° |
| C03 | C04 | H21 | 109.3° | 109.4° |
| C03 | C04 | H22 | 109.3° | 109.5° |
| C04 | C05 | C31 | 120.3° | 119.8° |
| C04 | C05 | C06 | 119.8° | 119.8° |
| C05 | C04 | H21 | 109.3° | 109.5° |
| C05 | C04 | H22 | 109.3° | 109.5° |
| C03 | C32 | N33 | 119.1° | 119.3° |
| C03 | C32 | H23 | 120.5° | 120.3° |
| C37 | C23 | C21 | 119.8° | 119.9° |
| C23 | C37 | H4 | 119.9° | 119.8° |
| C37 | C23 | H5 | 120.1° | 120.1° |
| N35 | C34 | N33 | 119.8° | 119.1° |
| C34 | N35 | H24 | 109.5° | 120.0° |
| C34 | N35 | H25 | 109.5° | 120.0° |
| C34 | N33 | C32 | 121.2° | 120.9° |
| C19 | C22 | C21 | 119.6° | 119.5° |
| C22 | C19 | N18 | 118.6° | 119.5° |
| C22 | C19 | H1 | 120.7° | 120.2° |
| C22 | C21 | C23 | 120.0° | 120.1° |
| C22 | C21 | C20 | 119.8° | 119.0° |
| C31 | C05 | C06 | 119.9° | 120.3° |
| C05 | C31 | C13 | 120.2° | 120.0° |
| C05 | C31 | H28 | 119.9° | 120.0° |
| C05 | C06 | C07 | 120.0° | 120.4° |
| C05 | C06 | H20 | 120.0° | 119.8° |
| C31 | C13 | C14 | 120.3° | 120.2° |
| C31 | C13 | C10 | 119.8° | 119.6° |
| C13 | C31 | H28 | 119.9° | 120.0° |
| C19 | N18 | N17 | 119.3° | 120.0° |
| N18 | C19 | H1 | 120.7° | 120.3° |
| N33 | C32 | H23 | 120.5° | 120.4° |
| C23 | C21 | C20 | 120.2° | 120.9° |
| C21 | C23 | H5 | 120.1° | 120.0° |
| C06 | C07 | C10 | 120.1° | 120.0° |
| C06 | C07 | O08 | 119.9° | 120.0° |
| C07 | C06 | H20 | 120.0° | 119.8° |
| C21 | C20 | N17 | 113.0° | 108.5° |
| C21 | C20 | C24 | 111.2° | 109.8° |
| C21 | C20 | H6 | 107.8° | 109.4° |
| N18 | N17 | C20 | 120.1° | 119.4° |
| N18 | N17 | C16 | 120.0° | 120.3° |
| C14 | C13 | C10 | 120.0° | 120.2° |
| C13 | C14 | C15 | 119.8° | 120.0° |
| C13 | C14 | H13 | 120.1° | 120.0° |
| C13 | C10 | C07 | 120.1° | 119.7° |
| C13 | C10 | O11 | 119.9° | 120.2° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H12 | 119.6° | 120.0° |
| C15 | C14 | H13 | 120.1° | 120.0° |
| C10 | C07 | O08 | 120.0° | 120.0° |
| C07 | C10 | O11 | 120.0° | 120.2° |
| C07 | O08 | C09 | 119.2° | 117.0° |
| C10 | O11 | C12 | 119.3° | 117.0° |
| C20 | N17 | C16 | 119.9° | 120.3° |
| N17 | C20 | C24 | 108.6° | 109.7° |
| N17 | C20 | H6 | 108.5° | 109.6° |
| N17 | C16 | C15 | 120.3° | 120.0° |
| N17 | C16 | O30 | 119.7° | 120.0° |
| O08 | C09 | H17 | 109.5° | 109.5° |
| O08 | C09 | H18 | 109.5° | 109.5° |
| O08 | C09 | H19 | 109.5° | 109.5° |
| C20 | C24 | C25 | 120.0° | 120.0° |
| C20 | C24 | C29 | 119.9° | 120.0° |
| C24 | C20 | H6 | 107.7° | 109.8° |
| C15 | C16 | O30 | 120.0° | 120.0° |
| C16 | C15 | H12 | 119.7° | 120.0° |
| O11 | C12 | H14 | 109.5° | 109.5° |
| O11 | C12 | H15 | 109.5° | 109.5° |
| O11 | C12 | H16 | 109.4° | 109.5° |
| C24 | C25 | C26 | 119.8° | 120.0° |
| C25 | C24 | C29 | 120.1° | 120.0° |
| C24 | C25 | H7 | 120.1° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C26 | C25 | H7 | 120.1° | 120.0° |
| C25 | C26 | H8 | 119.9° | 120.0° |
| C24 | C29 | C28 | 120.1° | 120.0° |
| C24 | C29 | H11 | 120.0° | 119.9° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | H8 | 120.0° | 120.0° |
| C26 | C27 | H9 | 120.0° | 120.1° |
| C29 | C28 | C27 | 119.9° | 120.0° |
| C29 | C28 | H10 | 120.1° | 120.0° |
| C28 | C29 | H11 | 120.0° | 120.0° |
| C28 | C27 | H9 | 119.9° | 119.9° |
| C27 | C28 | H10 | 120.1° | 120.0° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.4° |
| H17 | C09 | H19 | 109.5° | 109.4° |
| H18 | C09 | H19 | 109.4° | 109.5° |
| H21 | C04 | H22 | 109.5° | 109.5° |
| H24 | N35 | H25 | 109.5° | 120.0° |
| H26 | N01 | H27 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N36 | C03 | 180.0° | 179.5° |
| N01 | C02 | N36 | C34 | 180.0° | 180.0° |
| N01 | C02 | C03 | C04 | 0.0° | 0.2° |
| N01 | C02 | C03 | C32 | 179.9° | 180.0° |
| C02 | N01 | H26 | H27 | 120.0° | 180.0° |
| N36 | C02 | C03 | C04 | 180.0° | 179.8° |
| N36 | C02 | C03 | C32 | 0.1° | 0.5° |
| C02 | N36 | C34 | N35 | 180.0° | 179.7° |
| C02 | N36 | C34 | N33 | 0.0° | 0.2° |
| N36 | C02 | N01 | H26 | 0.0° | 0.0° |
| N36 | C02 | N01 | H27 | 120.0° | 180.0° |
| C03 | C02 | N36 | C34 | 0.0° | 0.5° |
| C02 | C03 | C04 | C32 | 180.0° | 179.7° |
| C02 | C03 | C04 | C05 | 167.1° | 84.7° |
| C02 | C03 | C32 | N33 | 0.1° | 0.3° |
| C02 | C03 | C04 | H21 | 47.0° | 35.3° |
| C02 | C03 | C04 | H22 | 72.8° | 155.2° |
| C02 | C03 | C32 | H23 | 179.9° | 179.8° |
| C03 | C02 | N01 | H26 | 180.0° | 179.5° |
| C03 | C02 | N01 | H27 | 60.0° | 0.5° |
| N36 | C34 | N35 | N33 | 180.0° | 179.9° |
| N36 | C34 | N33 | C32 | 0.0° | 0.1° |
| N36 | C34 | N35 | H24 | 0.0° | 180.0° |
| N36 | C34 | N35 | H25 | 120.0° | 0.1° |
| C40 | C38 | C37 | H3 | 180.0° | 180.0° |
| C38 | C40 | C22 | H2 | 180.0° | 179.9° |
| C40 | C38 | C37 | C23 | 0.1° | 0.1° |
| C38 | C40 | C22 | C19 | 180.0° | 179.9° |
| C38 | C40 | C22 | C21 | 0.1° | 0.1° |
| C40 | C38 | C37 | H4 | 179.9° | 180.0° |
| C37 | C38 | C40 | C22 | 0.1° | 0.0° |
| C38 | C37 | C23 | H4 | 180.0° | 179.9° |
| C38 | C37 | C23 | C21 | 0.1° | 0.1° |
| C37 | C38 | C40 | H2 | 180.0° | 180.0° |
| C38 | C37 | C23 | H5 | 179.9° | 180.0° |
| C40 | C22 | C19 | C21 | 179.9° | 179.9° |
| C40 | C22 | C19 | N18 | 159.1° | 164.6° |
| C40 | C22 | C21 | C23 | 0.1° | 0.1° |
| C40 | C22 | C21 | C20 | 179.9° | 179.6° |
| C40 | C22 | C19 | H1 | 20.9° | 15.4° |
| C22 | C40 | C38 | H3 | 179.9° | 180.0° |
| C03 | C04 | C05 | H21 | 120.1° | 119.9° |
| C03 | C04 | C05 | H22 | 120.1° | 120.1° |
| C03 | C04 | C05 | C31 | 49.0° | 90.0° |
| C03 | C04 | C05 | C06 | 131.2° | 90.5° |
| C04 | C03 | C32 | N33 | 180.0° | 180.0° |
| C03 | C04 | H21 | H22 | 119.7° | 120.0° |
| C04 | C03 | C32 | H23 | 0.0° | 0.1° |
| C05 | C04 | C03 | C32 | 13.0° | 95.0° |
| C04 | C05 | C31 | C06 | 179.7° | 179.5° |
| C04 | C05 | C31 | C13 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 179.7° |
| C04 | C05 | C06 | H20 | 0.1° | 0.2° |
| C05 | C04 | H21 | H22 | 119.6° | 120.0° |
| C04 | C05 | C31 | H28 | 0.1° | 0.5° |
| C03 | C32 | N33 | C34 | 0.0° | 0.0° |
| C03 | C32 | N33 | H23 | 180.0° | 180.0° |
| C32 | C03 | C04 | H21 | 133.1° | 145.0° |
| C32 | C03 | C04 | H22 | 107.1° | 25.0° |
| C37 | C23 | C21 | C22 | 0.1° | 0.0° |
| C37 | C23 | C21 | H5 | 180.0° | 179.9° |
| C37 | C23 | C21 | C20 | 179.9° | 179.7° |
| C23 | C37 | C38 | H3 | 179.9° | 179.9° |
| N35 | C34 | N33 | C32 | 180.0° | 180.0° |
| C34 | N35 | H24 | H25 | 120.0° | 179.9° |
| C34 | N33 | C32 | H23 | 180.0° | 179.9° |
| N33 | C34 | N35 | H24 | 180.0° | 0.1° |
| N33 | C34 | N35 | H25 | 60.0° | 180.0° |
| C22 | C19 | N18 | H1 | 180.0° | 180.0° |
| C19 | C22 | C21 | C23 | 180.0° | 179.9° |
| C19 | C22 | C21 | C20 | 0.1° | 0.4° |
| C22 | C19 | N18 | N17 | 14.3° | 0.0° |
| C19 | C22 | C40 | H2 | 0.1° | 0.0° |
| C21 | C22 | C19 | N18 | 20.8° | 15.5° |
| C22 | C21 | C23 | C20 | 180.0° | 179.7° |
| C22 | C21 | C20 | N17 | 25.2° | 27.3° |
| C22 | C21 | C20 | C24 | 97.1° | 92.5° |
| C21 | C22 | C19 | H1 | 159.2° | 164.6° |
| C21 | C22 | C40 | H2 | 180.0° | 179.9° |
| C22 | C21 | C23 | H5 | 179.9° | 179.9° |
| C22 | C21 | C20 | H6 | 145.1° | 146.8° |
| C05 | C31 | C13 | H28 | 180.0° | 179.4° |
| C31 | C05 | C06 | C07 | 0.2° | 0.3° |
| C05 | C31 | C13 | C14 | 179.9° | 179.8° |
| C05 | C31 | C13 | C10 | 0.1° | 0.5° |
| C31 | C05 | C06 | H20 | 179.8° | 179.7° |
| C31 | C05 | C04 | H21 | 71.1° | 150.0° |
| C31 | C05 | C04 | H22 | 169.2° | 30.1° |
| C06 | C05 | C31 | C13 | 0.2° | 0.5° |
| C05 | C06 | C07 | H20 | 180.0° | 180.0° |
| C05 | C06 | C07 | C10 | 0.1° | 0.0° |
| C05 | C06 | C07 | O08 | 180.0° | 180.0° |
| C06 | C05 | C04 | H21 | 108.7° | 29.5° |
| C06 | C05 | C04 | H22 | 11.1° | 149.4° |
| C06 | C05 | C31 | H28 | 179.8° | 180.0° |
| C31 | C13 | C14 | C10 | 180.0° | 179.7° |
| C31 | C13 | C14 | C15 | 172.9° | 0.3° |
| C31 | C13 | C10 | C07 | 0.0° | 0.3° |
| C31 | C13 | C10 | O11 | 180.0° | 179.7° |
| C31 | C13 | C14 | H13 | 7.1° | 179.7° |
| C19 | N18 | N17 | C20 | 12.9° | 31.9° |
| C19 | N18 | N17 | C16 | 167.1° | 147.8° |
| C23 | C21 | C20 | N17 | 154.8° | 153.0° |
| C23 | C21 | C20 | C24 | 82.8° | 87.1° |
| C21 | C23 | C37 | H4 | 179.9° | 180.0° |
| C23 | C21 | C20 | H6 | 35.0° | 33.5° |
| C06 | C07 | C10 | C13 | 0.0° | 0.0° |
| C06 | C07 | C10 | O08 | 180.0° | 180.0° |
| C06 | C07 | C10 | O11 | 180.0° | 180.0° |
| C06 | C07 | O08 | C09 | 6.1° | 0.0° |
| C21 | C20 | N17 | N18 | 32.0° | 43.7° |
| C21 | C20 | N17 | C24 | 123.8° | 120.0° |
| C21 | C20 | N17 | H6 | 119.4° | 119.4° |
| C21 | C20 | N17 | C16 | 148.0° | 136.0° |
| C21 | C20 | C24 | H6 | 117.8° | 120.4° |
| C21 | C20 | C24 | C25 | 14.8° | 78.9° |
| C21 | C20 | C24 | C29 | 165.2° | 100.9° |
| C20 | C21 | C23 | H5 | 0.1° | 0.4° |
| N18 | N17 | C20 | C16 | 180.0° | 179.7° |
| N18 | N17 | C20 | C24 | 91.9° | 76.3° |
| N18 | N17 | C16 | C15 | 0.1° | 0.6° |
| N18 | N17 | C16 | O30 | 180.0° | 179.7° |
| N17 | N18 | C19 | H1 | 165.7° | 180.0° |
| N18 | N17 | C20 | H6 | 151.4° | 163.1° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C14 | C13 | C10 | C07 | 180.0° | 180.0° |
| C14 | C13 | C10 | O11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 167.9° | 180.0° |
| C13 | C14 | C15 | H12 | 12.1° | 0.0° |
| C14 | C13 | C31 | H28 | 0.1° | 0.3° |
| C10 | C13 | C14 | C15 | 7.1° | 180.0° |
| C13 | C10 | C07 | O11 | 180.0° | 180.0° |
| C13 | C10 | C07 | O08 | 179.9° | 180.0° |
| C13 | C10 | O11 | C12 | 91.6° | 90.0° |
| C10 | C13 | C14 | H13 | 172.9° | 0.0° |
| C10 | C13 | C31 | H28 | 179.9° | 180.0° |
| C14 | C15 | C16 | N17 | 18.2° | 179.7° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | O30 | 161.8° | 0.0° |
| C10 | C07 | O08 | C09 | 173.9° | 180.0° |
| C07 | C10 | O11 | C12 | 88.4° | 90.0° |
| C10 | C07 | C06 | H20 | 179.9° | 180.0° |
| O08 | C07 | C10 | O11 | 0.1° | 0.0° |
| C07 | O08 | C09 | H17 | 180.0° | 60.0° |
| C07 | O08 | C09 | H18 | 60.0° | 60.0° |
| C07 | O08 | C09 | H19 | 60.0° | 180.0° |
| O08 | C07 | C06 | H20 | 0.0° | 0.0° |
| C10 | O11 | C12 | H14 | 180.0° | 59.9° |
| C10 | O11 | C12 | H15 | 60.0° | 60.0° |
| C10 | O11 | C12 | H16 | 60.0° | 180.0° |
| N17 | C20 | C24 | H6 | 117.3° | 120.5° |
| C20 | N17 | C16 | C15 | 180.0° | 179.7° |
| C20 | N17 | C16 | O30 | 0.1° | 0.0° |
| N17 | C20 | C24 | C25 | 110.1° | 40.3° |
| N17 | C20 | C24 | C29 | 69.9° | 140.0° |
| C16 | N17 | C20 | C24 | 88.2° | 104.0° |
| N17 | C16 | C15 | O30 | 179.9° | 179.7° |
| C16 | N17 | C20 | H6 | 28.6° | 16.6° |
| N17 | C16 | C15 | H12 | 161.7° | 0.3° |
| O08 | C09 | H17 | H18 | 120.0° | 120.0° |
| O08 | C09 | H17 | H19 | 120.0° | 120.0° |
| O08 | C09 | H18 | H19 | 120.0° | 120.1° |
| C20 | C24 | C25 | C29 | 180.0° | 179.8° |
| C20 | C24 | C25 | C26 | 180.0° | 180.0° |
| C20 | C24 | C29 | C28 | 180.0° | 179.8° |
| C20 | C24 | C25 | H7 | 0.0° | 0.0° |
| C20 | C24 | C29 | H11 | 0.0° | 0.0° |
| C16 | C15 | C14 | H13 | 12.1° | 0.0° |
| O30 | C16 | C15 | H12 | 18.2° | 180.0° |
| O11 | C12 | H14 | H15 | 120.0° | 120.0° |
| O11 | C12 | H14 | H16 | 120.0° | 120.1° |
| O11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C24 | C25 | C26 | H7 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C29 | C28 | 0.0° | 0.4° |
| C25 | C24 | C20 | H6 | 132.7° | 160.8° |
| C24 | C25 | C26 | H8 | 179.9° | 180.0° |
| C25 | C24 | C29 | H11 | 180.0° | 179.8° |
| C26 | C25 | C24 | C29 | 0.0° | 0.2° |
| C25 | C26 | C27 | H8 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H9 | 179.9° | 179.9° |
| C24 | C29 | C28 | H11 | 180.0° | 179.8° |
| C24 | C29 | C28 | C27 | 0.1° | 0.4° |
| C29 | C24 | C20 | H6 | 47.3° | 19.5° |
| C29 | C24 | C25 | H7 | 180.0° | 179.7° |
| C24 | C29 | C28 | H10 | 179.9° | 179.7° |
| C26 | C27 | C28 | C29 | 0.1° | 0.2° |
| C26 | C27 | C28 | H9 | 180.0° | 180.0° |
| C27 | C26 | C25 | H7 | 179.9° | 180.0° |
| C26 | C27 | C28 | H10 | 179.9° | 180.0° |
| C29 | C28 | C27 | H10 | 180.0° | 179.9° |
| C29 | C28 | C27 | H9 | 179.9° | 179.8° |
| C28 | C27 | C26 | H8 | 179.9° | 180.0° |
| C27 | C28 | C29 | H11 | 179.9° | 179.8° |
| H2 | C40 | C38 | H3 | 0.0° | 0.0° |
| H3 | C38 | C37 | H4 | 0.1° | 0.0° |
| H4 | C37 | C23 | H5 | 0.1° | 0.1° |
| H7 | C25 | C26 | H8 | 0.1° | 0.1° |
| H8 | C26 | C27 | H9 | 0.1° | 0.0° |
| H9 | C27 | C28 | H10 | 0.1° | 0.0° |
| H10 | C28 | C29 | H11 | 0.1° | 0.1° |
| H12 | C15 | C14 | H13 | 167.9° | 180.0° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
| H17 | C09 | H18 | H19 | 120.0° | 119.9° |
