SJG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | N6 | sing | 1.40Å | 1.41Å | |
| C7 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| N23 | C18 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | C4 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C11 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | O17 | sing | 1.36Å | 1.33Å | |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.48Å | 1.50Å | |
| O17 | C16 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.37Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | N29 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | O3 | sing | 1.35Å | 1.34Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| O3 | C2 | sing | 1.45Å | 1.46Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N29 | C28 | doub | 1.32Å | 1.34Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | doub | 1.36Å | 1.36Å | Aromatic |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| C26 | N27 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
| C28 | N30 | sing | 1.38Å | 1.40Å | |
| C31 | N30 | sing | 1.46Å | 1.48Å | |
| C31 | C37 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C38 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C35 | N36 | sing | 1.47Å | 1.47Å | |
| N36 | C37 | sing | 1.47Å | 1.47Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| N30 | H17 | sing | 0.97Å | 1.00Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| N36 | H24 | sing | 1.01Å | 1.00Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 121.2° | 121.1° |
| C9 | C8 | C7 | 121.6° | 120.8° |
| C9 | C8 | H2 | 119.2° | 119.6° |
| C8 | C9 | H3 | 119.4° | 119.5° |
| C9 | C10 | C11 | 119.0° | 119.9° |
| C10 | C9 | H3 | 119.4° | 119.4° |
| C9 | C10 | H4 | 120.5° | 120.1° |
| C8 | C7 | N6 | 120.2° | 120.3° |
| C8 | C7 | C12 | 118.1° | 119.4° |
| C7 | C8 | H2 | 119.2° | 119.6° |
| C10 | C11 | C12 | 120.0° | 119.6° |
| C10 | C11 | C16 | 120.8° | 121.2° |
| C11 | C10 | H4 | 120.5° | 120.0° |
| C21 | C22 | N23 | 119.6° | 121.1° |
| C22 | C21 | C20 | 120.3° | 119.4° |
| C22 | C21 | H13 | 119.8° | 120.3° |
| C21 | C22 | H14 | 120.2° | 119.5° |
| C22 | N23 | C18 | 122.2° | 121.8° |
| N23 | C22 | H14 | 120.2° | 119.4° |
| N6 | C7 | C12 | 121.7° | 120.3° |
| C7 | N6 | C4 | 128.6° | 120.0° |
| C7 | N6 | H11 | 115.7° | 120.0° |
| C7 | C12 | C11 | 120.1° | 119.3° |
| C7 | C12 | C13 | 120.8° | 121.2° |
| C21 | C20 | C19 | 119.3° | 118.4° |
| C21 | C20 | H12 | 120.3° | 120.8° |
| C20 | C21 | H13 | 119.8° | 120.3° |
| N23 | C18 | C19 | 122.3° | 120.4° |
| N23 | C18 | O17 | 118.3° | 119.8° |
| N6 | C4 | O3 | 117.3° | 120.0° |
| N6 | C4 | O5 | 125.1° | 119.9° |
| C4 | N6 | H11 | 115.7° | 120.0° |
| C12 | C11 | C16 | 119.2° | 119.2° |
| C11 | C12 | C13 | 119.1° | 119.5° |
| C11 | C16 | O17 | 116.7° | 120.2° |
| C11 | C16 | C15 | 119.7° | 119.6° |
| C20 | C19 | C18 | 116.3° | 118.8° |
| C20 | C19 | C24 | 118.6° | 120.6° |
| C19 | C20 | H12 | 120.3° | 120.9° |
| C19 | C18 | O17 | 119.4° | 119.7° |
| C18 | C19 | C24 | 125.1° | 120.6° |
| C18 | O17 | C16 | 125.6° | 117.9° |
| C12 | C13 | C14 | 120.3° | 119.8° |
| C12 | C13 | H5 | 119.9° | 120.1° |
| C19 | C24 | C25 | 123.9° | 120.5° |
| C19 | C24 | N29 | 118.1° | 120.5° |
| O17 | C16 | C15 | 123.5° | 120.2° |
| C16 | C15 | C14 | 120.3° | 120.9° |
| C16 | C15 | C38 | 122.6° | 119.6° |
| C25 | C24 | N29 | 118.0° | 119.0° |
| C24 | C25 | C26 | 119.9° | 118.5° |
| C24 | C25 | H15 | 120.1° | 120.8° |
| C24 | N29 | C28 | 120.7° | 120.6° |
| O3 | C4 | O5 | 117.6° | 120.1° |
| C4 | O3 | C2 | 116.0° | 117.0° |
| O3 | C2 | C1 | 110.1° | 109.5° |
| O3 | C2 | H9 | 109.3° | 109.5° |
| O3 | C2 | H10 | 109.3° | 109.5° |
| C25 | C26 | N27 | 118.5° | 119.3° |
| C26 | C25 | H15 | 120.1° | 120.7° |
| C25 | C26 | H16 | 120.7° | 120.4° |
| N29 | C28 | N27 | 121.9° | 121.7° |
| N29 | C28 | N30 | 118.9° | 119.2° |
| C33 | C34 | C35 | 107.0° | 109.3° |
| C34 | C33 | C31 | 108.5° | 109.2° |
| C34 | C33 | H18 | 109.7° | 109.5° |
| C34 | C33 | H19 | 109.7° | 109.6° |
| C33 | C34 | H20 | 110.1° | 109.5° |
| C33 | C34 | H21 | 110.1° | 109.5° |
| C34 | C35 | N36 | 109.3° | 109.5° |
| C35 | C34 | H20 | 110.1° | 109.5° |
| C35 | C34 | H21 | 110.1° | 109.5° |
| C34 | C35 | H22 | 109.5° | 109.4° |
| C34 | C35 | H23 | 109.5° | 109.5° |
| C13 | C14 | C15 | 121.4° | 121.1° |
| C13 | C14 | H1 | 119.3° | 119.4° |
| C14 | C13 | H5 | 119.9° | 120.2° |
| C33 | C31 | N30 | 109.1° | 109.5° |
| C33 | C31 | C37 | 109.5° | 109.3° |
| C33 | C31 | H32 | 109.5° | 109.5° |
| C31 | C33 | H18 | 109.7° | 109.5° |
| C31 | C33 | H19 | 109.7° | 109.5° |
| C26 | N27 | C28 | 121.1° | 121.0° |
| N27 | C26 | H16 | 120.7° | 120.4° |
| N27 | C28 | N30 | 119.2° | 119.1° |
| C28 | N30 | C31 | 122.1° | 120.0° |
| C28 | N30 | H17 | 106.2° | 120.0° |
| N30 | C31 | C37 | 109.1° | 109.5° |
| C31 | N30 | H17 | 106.3° | 120.0° |
| N30 | C31 | H32 | 110.2° | 109.5° |
| C31 | C37 | N36 | 110.6° | 109.5° |
| C37 | C31 | H32 | 109.5° | 109.5° |
| C31 | C37 | H26 | 109.2° | 109.5° |
| C31 | C37 | H27 | 109.2° | 109.4° |
| C14 | C15 | C38 | 117.1° | 119.5° |
| C15 | C14 | H1 | 119.3° | 119.5° |
| C15 | C38 | H28 | 109.5° | 109.4° |
| C15 | C38 | H29 | 109.5° | 109.4° |
| C15 | C38 | H30 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.3° | 109.5° |
| C1 | C2 | H10 | 109.3° | 109.4° |
| C35 | N36 | C37 | 111.9° | 111.2° |
| N36 | C35 | H22 | 109.5° | 109.5° |
| N36 | C35 | H23 | 109.5° | 109.4° |
| C35 | N36 | H24 | 108.8° | 111.0° |
| C37 | N36 | H24 | 108.9° | 111.0° |
| N36 | C37 | H26 | 109.2° | 109.5° |
| N36 | C37 | H27 | 109.2° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.4° | 109.4° |
| H18 | C33 | H19 | 109.5° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.6° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H26 | C37 | H27 | 109.5° | 109.5° |
| H28 | C38 | H29 | 109.4° | 109.5° |
| H28 | C38 | H30 | 109.4° | 109.5° |
| H29 | C38 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H3 | 180.0° | 179.3° |
| C9 | C8 | C7 | H2 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.4° | 0.5° |
| C9 | C8 | C7 | N6 | 179.4° | 179.5° |
| C9 | C8 | C7 | C12 | 0.7° | 0.5° |
| C8 | C9 | C10 | H4 | 179.6° | 179.6° |
| C10 | C9 | C8 | C7 | 0.2° | 0.7° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C9 | C10 | C11 | C16 | 180.0° | 179.7° |
| C10 | C9 | C8 | H2 | 179.8° | 179.8° |
| C8 | C7 | N6 | C12 | 179.9° | 180.0° |
| C8 | C7 | N6 | C4 | 122.7° | 24.8° |
| C8 | C7 | C12 | C11 | 0.5° | 0.0° |
| C8 | C7 | C12 | C13 | 179.4° | 179.8° |
| C7 | C8 | C9 | H3 | 179.7° | 180.0° |
| C8 | C7 | N6 | H11 | 57.3° | 155.1° |
| C10 | C11 | C12 | C7 | 0.1° | 0.2° |
| C10 | C11 | C12 | C16 | 179.5° | 179.8° |
| C10 | C11 | C12 | C13 | 180.0° | 180.0° |
| C10 | C11 | C16 | O17 | 2.5° | 0.3° |
| C10 | C11 | C16 | C15 | 179.3° | 180.0° |
| C11 | C10 | C9 | H3 | 179.6° | 179.8° |
| C21 | C22 | N23 | H14 | 180.0° | 179.7° |
| C22 | C21 | C20 | H13 | 180.0° | 179.9° |
| C21 | C22 | N23 | C18 | 0.5° | 0.6° |
| C22 | C21 | C20 | C19 | 0.5° | 0.1° |
| C22 | C21 | C20 | H12 | 179.5° | 180.0° |
| N23 | C22 | C21 | C20 | 0.0° | 0.2° |
| C22 | N23 | C18 | C19 | 0.4° | 0.6° |
| C22 | N23 | C18 | O17 | 179.8° | 179.7° |
| N23 | C22 | C21 | H13 | 180.0° | 179.7° |
| C7 | N6 | C4 | H11 | 180.0° | 179.9° |
| N6 | C7 | C12 | C11 | 179.6° | 179.9° |
| N6 | C7 | C12 | C13 | 0.5° | 0.3° |
| C7 | N6 | C4 | O3 | 179.9° | 174.5° |
| C7 | N6 | C4 | O5 | 1.5° | 5.8° |
| N6 | C7 | C8 | H2 | 0.6° | 0.0° |
| C12 | C7 | N6 | C4 | 57.4° | 155.2° |
| C7 | C12 | C11 | C13 | 179.9° | 179.8° |
| C7 | C12 | C11 | C16 | 179.6° | 180.0° |
| C7 | C12 | C13 | C14 | 179.6° | 179.8° |
| C12 | C7 | C8 | H2 | 179.3° | 180.0° |
| C7 | C12 | C13 | H5 | 0.4° | 0.2° |
| C12 | C7 | N6 | H11 | 122.6° | 25.0° |
| C21 | C20 | C19 | H12 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C21 | C20 | C19 | C24 | 179.6° | 179.9° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| N23 | C18 | C19 | C20 | 0.1° | 0.3° |
| N23 | C18 | C19 | O17 | 179.3° | 179.7° |
| N23 | C18 | C19 | C24 | 179.1° | 179.7° |
| N23 | C18 | O17 | C16 | 26.3° | 0.3° |
| C18 | N23 | C22 | H14 | 179.5° | 179.7° |
| N6 | C4 | O3 | O5 | 178.7° | 179.7° |
| N6 | C4 | O3 | C2 | 172.0° | 179.7° |
| C12 | C11 | C16 | O17 | 177.0° | 179.9° |
| C12 | C11 | C16 | C15 | 0.2° | 0.3° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C12 | C11 | C10 | H4 | 179.4° | 180.0° |
| C11 | C12 | C13 | H5 | 179.5° | 180.0° |
| C11 | C16 | O17 | C18 | 129.4° | 90.1° |
| C16 | C11 | C12 | C13 | 0.5° | 0.2° |
| C11 | C16 | O17 | C15 | 176.6° | 179.7° |
| C11 | C16 | C15 | C14 | 0.9° | 0.0° |
| C11 | C16 | C15 | C38 | 179.6° | 180.0° |
| C16 | C11 | C10 | H4 | 0.0° | 0.2° |
| C20 | C19 | C18 | C24 | 179.0° | 180.0° |
| C20 | C19 | C18 | O17 | 179.2° | 180.0° |
| C20 | C19 | C24 | C25 | 173.7° | 0.1° |
| C20 | C19 | C24 | N29 | 6.2° | 179.7° |
| C19 | C20 | C21 | H13 | 179.5° | 180.0° |
| C19 | C18 | O17 | C16 | 154.4° | 180.0° |
| C18 | C19 | C24 | C25 | 5.3° | 180.0° |
| C18 | C19 | C24 | N29 | 174.9° | 0.2° |
| C18 | C19 | C20 | H12 | 179.4° | 180.0° |
| O17 | C18 | C19 | C24 | 0.2° | 0.1° |
| C18 | O17 | C16 | C15 | 54.0° | 90.3° |
| C12 | C13 | C14 | H5 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C12 | C13 | C14 | H1 | 179.7° | 180.0° |
| C19 | C24 | C25 | N29 | 179.8° | 179.8° |
| C19 | C24 | C25 | C26 | 179.6° | 180.0° |
| C19 | C24 | N29 | C28 | 178.9° | 179.8° |
| C24 | C19 | C20 | H12 | 0.4° | 0.0° |
| C19 | C24 | C25 | H15 | 0.3° | 0.0° |
| O17 | C16 | C15 | C14 | 177.5° | 179.7° |
| O17 | C16 | C15 | C38 | 3.0° | 0.4° |
| C16 | C15 | C14 | C13 | 1.0° | 0.2° |
| C16 | C15 | C14 | C38 | 179.5° | 179.9° |
| C16 | C15 | C14 | H1 | 179.0° | 180.0° |
| C16 | C15 | C38 | H28 | 90.3° | 90.0° |
| C16 | C15 | C38 | H29 | 149.7° | 29.9° |
| C16 | C15 | C38 | H30 | 29.7° | 150.0° |
| C24 | C25 | C26 | H15 | 180.0° | 179.9° |
| C25 | C24 | N29 | C28 | 0.9° | 0.5° |
| C24 | C25 | C26 | N27 | 1.1° | 0.0° |
| C24 | C25 | C26 | H16 | 178.9° | 180.0° |
| N29 | C24 | C25 | C26 | 0.2° | 0.2° |
| C24 | N29 | C28 | N27 | 0.3° | 0.5° |
| C24 | N29 | C28 | N30 | 179.7° | 179.7° |
| N29 | C24 | C25 | H15 | 179.9° | 179.7° |
| C4 | O3 | C2 | C1 | 166.7° | 180.0° |
| C4 | O3 | C2 | H9 | 73.2° | 60.0° |
| C4 | O3 | C2 | H10 | 46.6° | 60.0° |
| O3 | C4 | N6 | H11 | 0.1° | 5.4° |
| O5 | C4 | O3 | C2 | 6.7° | 0.0° |
| O5 | C4 | N6 | H11 | 178.5° | 174.3° |
| O3 | C2 | C1 | H9 | 120.1° | 120.1° |
| O3 | C2 | C1 | H10 | 120.1° | 120.1° |
| O3 | C2 | C1 | H6 | 180.0° | 60.0° |
| O3 | C2 | C1 | H7 | 60.0° | 60.0° |
| O3 | C2 | C1 | H8 | 60.0° | 180.0° |
| O3 | C2 | H9 | H10 | 119.7° | 120.0° |
| C25 | C26 | N27 | H16 | 180.0° | 180.0° |
| C25 | C26 | N27 | C28 | 1.7° | 0.0° |
| N29 | C28 | N27 | C26 | 1.0° | 0.2° |
| N29 | C28 | N27 | N30 | 179.9° | 179.8° |
| N29 | C28 | N30 | C31 | 0.6° | 179.8° |
| N29 | C28 | N30 | H17 | 122.3° | 0.2° |
| C33 | C34 | C35 | H20 | 119.6° | 119.9° |
| C33 | C34 | C35 | H21 | 119.6° | 120.0° |
| C34 | C33 | C31 | H18 | 119.8° | 119.9° |
| C34 | C33 | C31 | H19 | 119.9° | 120.0° |
| C34 | C33 | C31 | N30 | 178.7° | 177.6° |
| C34 | C33 | C31 | C37 | 59.4° | 57.7° |
| C33 | C34 | C35 | N36 | 63.0° | 59.1° |
| C34 | C33 | C31 | H32 | 60.6° | 62.3° |
| C34 | C33 | H18 | H19 | 120.5° | 120.2° |
| C33 | C34 | H20 | H21 | 121.1° | 120.2° |
| C33 | C34 | C35 | H22 | 177.1° | 179.2° |
| C33 | C34 | C35 | H23 | 57.0° | 60.8° |
| C35 | C34 | C33 | C31 | 62.4° | 57.6° |
| C34 | C35 | N36 | H22 | 120.0° | 120.0° |
| C34 | C35 | N36 | H23 | 120.0° | 120.0° |
| C34 | C35 | N36 | C37 | 61.3° | 61.7° |
| C35 | C34 | C33 | H18 | 57.4° | 177.6° |
| C35 | C34 | C33 | H19 | 177.7° | 62.3° |
| C35 | C34 | H20 | H21 | 121.2° | 120.1° |
| C34 | C35 | H22 | H23 | 120.1° | 120.0° |
| C34 | C35 | N36 | H24 | 59.1° | 62.4° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | C38 | 179.5° | 179.7° |
| C33 | C31 | N30 | C28 | 158.5° | 155.2° |
| C33 | C31 | N30 | C37 | 119.5° | 119.8° |
| C33 | C31 | N30 | H32 | 120.2° | 120.1° |
| C33 | C31 | C37 | H32 | 120.0° | 119.9° |
| C33 | C31 | C37 | N36 | 56.0° | 59.2° |
| C33 | C31 | N30 | H17 | 36.8° | 24.8° |
| C31 | C33 | H18 | H19 | 120.4° | 120.1° |
| C31 | C33 | C34 | H20 | 57.1° | 62.3° |
| C31 | C33 | C34 | H21 | 177.9° | 177.6° |
| C33 | C31 | C37 | H26 | 64.2° | 60.9° |
| C33 | C31 | C37 | H27 | 176.2° | 179.1° |
| C26 | N27 | C28 | N30 | 178.9° | 180.0° |
| N27 | C26 | C25 | H15 | 178.9° | 180.0° |
| N27 | C28 | N30 | C31 | 179.5° | 0.0° |
| C28 | N27 | C26 | H16 | 178.3° | 180.0° |
| N27 | C28 | N30 | H17 | 57.8° | 180.0° |
| C28 | N30 | C31 | H17 | 121.7° | 180.0° |
| C28 | N30 | C31 | C37 | 82.0° | 85.0° |
| C28 | N30 | C31 | H32 | 38.3° | 35.1° |
| N30 | C31 | C37 | H32 | 120.7° | 120.1° |
| N30 | C31 | C37 | N36 | 175.3° | 179.1° |
| N30 | C31 | C33 | H18 | 58.9° | 62.5° |
| N30 | C31 | C33 | H19 | 61.4° | 57.6° |
| N30 | C31 | C37 | H26 | 55.1° | 59.1° |
| N30 | C31 | C37 | H27 | 64.6° | 60.9° |
| C31 | C37 | N36 | C35 | 57.4° | 61.8° |
| C31 | C37 | N36 | H26 | 120.1° | 120.1° |
| C31 | C37 | N36 | H27 | 120.2° | 120.0° |
| C37 | C31 | N30 | H17 | 156.3° | 95.0° |
| C37 | C31 | C33 | H18 | 60.4° | 177.6° |
| C37 | C31 | C33 | H19 | 179.2° | 62.3° |
| C31 | C37 | N36 | H24 | 62.9° | 62.3° |
| C31 | C37 | H26 | H27 | 119.5° | 120.0° |
| C15 | C14 | C13 | H5 | 179.7° | 179.8° |
| C14 | C15 | C38 | H28 | 90.2° | 90.1° |
| C14 | C15 | C38 | H29 | 29.8° | 150.0° |
| C14 | C15 | C38 | H30 | 149.8° | 30.0° |
| C38 | C15 | C14 | H1 | 0.5° | 0.0° |
| C15 | C38 | H28 | H29 | 120.0° | 119.9° |
| C15 | C38 | H28 | H30 | 120.0° | 120.0° |
| C15 | C38 | H29 | H30 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 119.9° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 119.7° | 119.9° |
| C35 | N36 | C37 | H24 | 120.4° | 124.1° |
| N36 | C35 | C34 | H20 | 56.6° | 60.8° |
| N36 | C35 | C34 | H21 | 177.4° | 179.1° |
| N36 | C35 | H22 | H23 | 120.1° | 120.0° |
| C35 | N36 | C37 | H26 | 62.7° | 58.3° |
| C35 | N36 | C37 | H27 | 177.6° | 178.3° |
| N36 | C37 | C31 | H32 | 64.0° | 60.7° |
| C37 | N36 | C35 | H22 | 178.7° | 178.3° |
| C37 | N36 | C35 | H23 | 58.7° | 58.3° |
| N36 | C37 | H26 | H27 | 119.5° | 119.9° |
| H1 | C14 | C13 | H5 | 0.3° | 0.1° |
| H2 | C8 | C9 | H3 | 0.3° | 0.5° |
| H3 | C9 | C10 | H4 | 0.4° | 0.3° |
| H6 | C1 | H7 | H8 | 119.9° | 120.1° |
| H6 | C1 | C2 | H9 | 59.9° | 60.1° |
| H6 | C1 | C2 | H10 | 59.9° | 180.0° |
| H7 | C1 | C2 | H9 | 179.9° | 179.9° |
| H7 | C1 | C2 | H10 | 60.1° | 60.0° |
| H8 | C1 | C2 | H9 | 60.1° | 59.9° |
| H8 | C1 | C2 | H10 | 179.9° | 59.9° |
| H12 | C20 | C21 | H13 | 0.5° | 0.1° |
| H13 | C21 | C22 | H14 | 0.0° | 0.0° |
| H15 | C25 | C26 | H16 | 1.1° | 0.0° |
| H17 | N30 | C31 | H32 | 83.5° | 144.9° |
| H32 | C31 | C33 | H18 | 179.5° | 57.6° |
| H32 | C31 | C33 | H19 | 59.2° | 177.7° |
| H32 | C31 | C37 | H26 | 175.8° | 179.2° |
| H32 | C31 | C37 | H27 | 56.1° | 59.2° |
| H18 | C33 | C34 | H20 | 177.0° | 57.7° |
| H18 | C33 | C34 | H21 | 62.3° | 62.5° |
| H19 | C33 | C34 | H20 | 62.7° | 177.8° |
| H19 | C33 | C34 | H21 | 58.1° | 57.6° |
| H20 | C34 | C35 | H22 | 63.4° | 59.3° |
| H20 | C34 | C35 | H23 | 176.6° | 179.3° |
| H21 | C34 | C35 | H22 | 57.4° | 60.9° |
| H21 | C34 | C35 | H23 | 62.6° | 59.1° |
| H22 | C35 | N36 | H24 | 60.9° | 57.6° |
| H23 | C35 | N36 | H24 | 179.0° | 177.6° |
| H24 | N36 | C37 | H26 | 176.9° | 177.6° |
| H24 | N36 | C37 | H27 | 57.2° | 57.6° |
| H28 | C38 | H29 | H30 | 120.0° | 120.0° |
