3EH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | N32 | sing | 1.47Å | 1.49Å | |
| C31 | N32 | sing | 1.47Å | 1.48Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| O28 | C29 | sing | 1.45Å | 1.43Å | |
| O28 | C26 | sing | 1.35Å | 1.36Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C26 | N20 | sing | 1.35Å | 1.38Å | |
| C26 | O27 | doub | 1.22Å | 1.20Å | |
| N32 | C35 | sing | 1.47Å | 1.48Å | |
| N20 | C15 | sing | 1.40Å | 1.42Å | |
| C17 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O23 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C13 | C19 | sing | 1.51Å | 1.52Å | |
| C13 | N8 | sing | 1.47Å | 1.50Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O23 | C6 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | N8 | sing | 1.39Å | 1.42Å | |
| N10 | C12 | doub | 1.28Å | 1.31Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N8 | C7 | sing | 1.34Å | 1.38Å | |
| C1 | C12 | sing | 1.47Å | 1.48Å | |
| C1 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | O22 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| O22 | C24 | sing | 1.43Å | 1.43Å | |
| C7 | O21 | doub | 1.22Å | 1.21Å | |
| C7 | S9 | sing | 1.76Å | 1.75Å | |
| C11 | S9 | sing | 1.81Å | 1.80Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | N32 | 115.7° | 109.5° |
| C34 | C33 | H16 | 107.9° | 109.5° |
| C34 | C33 | H17 | 107.9° | 109.5° |
| C33 | C34 | H18 | 109.5° | 109.5° |
| C33 | C34 | H19 | 109.5° | 109.5° |
| C33 | C34 | H20 | 109.5° | 109.5° |
| C33 | N32 | C31 | 110.1° | 111.0° |
| C33 | N32 | C35 | 112.6° | 111.0° |
| N32 | C33 | H16 | 107.9° | 109.4° |
| N32 | C33 | H17 | 107.9° | 109.5° |
| N32 | C31 | C30 | 110.4° | 109.5° |
| C31 | N32 | C35 | 112.5° | 111.0° |
| N32 | C31 | H14 | 109.3° | 109.5° |
| N32 | C31 | H15 | 109.2° | 109.5° |
| C31 | C30 | C29 | 110.1° | 109.5° |
| C31 | C30 | H12 | 109.3° | 109.5° |
| C31 | C30 | H13 | 109.3° | 109.5° |
| C30 | C31 | H14 | 109.2° | 109.5° |
| C30 | C31 | H15 | 109.3° | 109.5° |
| C29 | O28 | C26 | 119.7° | 117.0° |
| O28 | C29 | C30 | 112.9° | 109.5° |
| O28 | C29 | H26 | 108.6° | 109.5° |
| O28 | C29 | H27 | 108.6° | 109.5° |
| O28 | C26 | N20 | 117.3° | 120.0° |
| O28 | C26 | O27 | 120.3° | 120.0° |
| C29 | C30 | H12 | 109.3° | 109.5° |
| C29 | C30 | H13 | 109.3° | 109.5° |
| C30 | C29 | H26 | 108.6° | 109.4° |
| C30 | C29 | H27 | 108.6° | 109.5° |
| N20 | C26 | O27 | 122.4° | 120.0° |
| C26 | N20 | C15 | 128.3° | 120.0° |
| C26 | N20 | H29 | 115.8° | 120.0° |
| N32 | C35 | C36 | 111.7° | 109.4° |
| N32 | C35 | H21 | 108.9° | 109.5° |
| N32 | C35 | H22 | 108.9° | 109.5° |
| N20 | C15 | C17 | 115.4° | 120.1° |
| N20 | C15 | C14 | 125.2° | 120.1° |
| C15 | N20 | H29 | 115.9° | 120.0° |
| C15 | C17 | C19 | 121.3° | 119.9° |
| C17 | C15 | C14 | 119.4° | 119.9° |
| C15 | C17 | H7 | 119.3° | 120.0° |
| C17 | C19 | C13 | 118.3° | 120.0° |
| C17 | C19 | C18 | 119.0° | 120.1° |
| C19 | C17 | H7 | 119.4° | 120.1° |
| C15 | C14 | C16 | 119.5° | 119.9° |
| C15 | C14 | H30 | 120.3° | 120.0° |
| C25 | O23 | C6 | 125.7° | 117.0° |
| O23 | C25 | H33 | 109.5° | 109.5° |
| O23 | C25 | H34 | 109.5° | 109.5° |
| O23 | C25 | H35 | 109.4° | 109.5° |
| C36 | C35 | H21 | 108.9° | 109.5° |
| C36 | C35 | H22 | 108.9° | 109.5° |
| C35 | C36 | H23 | 109.5° | 109.5° |
| C35 | C36 | H24 | 109.4° | 109.5° |
| C35 | C36 | H25 | 109.5° | 109.5° |
| C19 | C13 | N8 | 117.0° | 109.4° |
| C13 | C19 | C18 | 122.6° | 120.0° |
| C19 | C13 | H31 | 107.6° | 109.5° |
| C19 | C13 | H32 | 107.6° | 109.5° |
| C13 | N8 | N10 | 110.3° | 118.6° |
| C13 | N8 | C7 | 123.9° | 118.5° |
| N8 | C13 | H31 | 107.6° | 109.5° |
| N8 | C13 | H32 | 107.6° | 109.5° |
| C19 | C18 | C16 | 120.5° | 120.1° |
| C19 | C18 | H8 | 119.7° | 119.9° |
| C14 | C16 | C18 | 120.3° | 120.1° |
| C14 | C16 | H6 | 119.9° | 119.9° |
| C16 | C14 | H30 | 120.2° | 120.1° |
| C2 | C4 | C6 | 120.8° | 120.2° |
| C4 | C2 | C1 | 120.1° | 120.0° |
| C4 | C2 | H1 | 119.9° | 120.0° |
| C2 | C4 | H3 | 119.6° | 119.9° |
| C4 | C6 | O23 | 123.0° | 119.9° |
| C4 | C6 | C5 | 119.2° | 120.2° |
| C6 | C4 | H3 | 119.6° | 119.9° |
| C18 | C16 | H6 | 119.8° | 120.0° |
| C16 | C18 | H8 | 119.8° | 119.9° |
| O23 | C6 | C5 | 117.7° | 120.0° |
| C2 | C1 | C12 | 121.3° | 120.1° |
| C2 | C1 | C3 | 118.6° | 119.8° |
| C1 | C2 | H1 | 120.0° | 120.0° |
| N8 | N10 | C12 | 125.2° | 125.1° |
| N10 | N8 | C7 | 121.1° | 122.9° |
| N10 | C12 | C1 | 118.7° | 118.5° |
| N10 | C12 | C11 | 120.4° | 123.0° |
| C6 | C5 | C3 | 119.8° | 120.0° |
| C6 | C5 | O22 | 117.5° | 120.0° |
| N8 | C7 | O21 | 118.4° | 120.1° |
| N8 | C7 | S9 | 120.5° | 119.8° |
| C12 | C1 | C3 | 120.0° | 120.1° |
| C1 | C12 | C11 | 120.9° | 118.5° |
| C1 | C3 | C5 | 121.6° | 119.9° |
| C1 | C3 | H2 | 119.2° | 120.0° |
| C3 | C5 | O22 | 122.7° | 120.0° |
| C5 | C3 | H2 | 119.2° | 120.1° |
| C5 | O22 | C24 | 126.2° | 117.0° |
| C12 | C11 | S9 | 110.0° | 109.3° |
| C12 | C11 | H4 | 109.3° | 109.5° |
| C12 | C11 | H5 | 109.3° | 109.6° |
| O22 | C24 | H9 | 109.5° | 109.5° |
| O22 | C24 | H10 | 109.5° | 109.5° |
| O22 | C24 | H11 | 109.5° | 109.5° |
| O21 | C7 | S9 | 121.0° | 120.1° |
| C7 | S9 | C11 | 100.5° | 99.3° |
| S9 | C11 | H4 | 109.3° | 109.4° |
| S9 | C11 | H5 | 109.3° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H9 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H12 | C30 | H13 | 109.4° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H16 | C33 | H17 | 109.5° | 109.5° |
| H18 | C34 | H19 | 109.4° | 109.5° |
| H18 | C34 | H20 | 109.5° | 109.5° |
| H19 | C34 | H20 | 109.5° | 109.4° |
| H21 | C35 | H22 | 109.5° | 109.4° |
| H23 | C36 | H24 | 109.5° | 109.5° |
| H23 | C36 | H25 | 109.5° | 109.4° |
| H24 | C36 | H25 | 109.5° | 109.4° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H31 | C13 | H32 | 109.4° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | N32 | H16 | 120.9° | 120.0° |
| C34 | C33 | N32 | H17 | 120.9° | 120.0° |
| C34 | C33 | N32 | C31 | 58.8° | 75.9° |
| C34 | C33 | N32 | C35 | 67.7° | 160.1° |
| C34 | C33 | H16 | H17 | 117.1° | 120.1° |
| C33 | C34 | H18 | H19 | 120.0° | 120.0° |
| C33 | C34 | H18 | H20 | 120.0° | 120.0° |
| C33 | C34 | H19 | H20 | 120.0° | 120.0° |
| C33 | N32 | C31 | C35 | 126.5° | 124.0° |
| C33 | N32 | C31 | C30 | 159.2° | 170.0° |
| C33 | N32 | C35 | C36 | 76.0° | 71.6° |
| C33 | N32 | C31 | H14 | 80.7° | 50.0° |
| C33 | N32 | C31 | H15 | 39.0° | 70.0° |
| N32 | C33 | H16 | H17 | 117.2° | 120.0° |
| N32 | C33 | C34 | H18 | 180.0° | 53.9° |
| N32 | C33 | C34 | H19 | 60.0° | 66.1° |
| N32 | C33 | C34 | H20 | 60.0° | 173.9° |
| C33 | N32 | C35 | H21 | 44.4° | 168.3° |
| C33 | N32 | C35 | H22 | 163.7° | 48.4° |
| N32 | C31 | C30 | H14 | 120.1° | 120.0° |
| N32 | C31 | C30 | H15 | 120.1° | 120.0° |
| N32 | C31 | C30 | C29 | 138.7° | 180.0° |
| C31 | N32 | C35 | C36 | 158.9° | 164.4° |
| N32 | C31 | C30 | H12 | 18.6° | 60.0° |
| N32 | C31 | C30 | H13 | 101.2° | 59.9° |
| N32 | C31 | H14 | H15 | 119.6° | 120.0° |
| C31 | N32 | C33 | H16 | 62.1° | 164.1° |
| C31 | N32 | C33 | H17 | 179.7° | 44.1° |
| C31 | N32 | C35 | H21 | 80.8° | 44.4° |
| C31 | N32 | C35 | H22 | 38.6° | 75.5° |
| C31 | C30 | C29 | O28 | 65.9° | 180.0° |
| C31 | C30 | C29 | H12 | 120.1° | 120.0° |
| C31 | C30 | C29 | H13 | 120.1° | 120.0° |
| C30 | C31 | N32 | C35 | 74.3° | 66.0° |
| C31 | C30 | H12 | H13 | 119.7° | 120.0° |
| C30 | C31 | H14 | H15 | 119.6° | 120.0° |
| C31 | C30 | C29 | H26 | 54.6° | 60.0° |
| C31 | C30 | C29 | H27 | 173.6° | 60.0° |
| O28 | C29 | C30 | H26 | 120.5° | 120.0° |
| O28 | C29 | C30 | H27 | 120.5° | 120.0° |
| C29 | O28 | C26 | N20 | 164.3° | 180.0° |
| C29 | O28 | C26 | O27 | 15.4° | 0.0° |
| O28 | C29 | C30 | H12 | 54.2° | 60.0° |
| O28 | C29 | C30 | H13 | 174.0° | 60.0° |
| O28 | C29 | H26 | H27 | 118.4° | 120.0° |
| C26 | O28 | C29 | C30 | 127.5° | 180.0° |
| O28 | C26 | N20 | O27 | 179.7° | 179.9° |
| O28 | C26 | N20 | C15 | 177.8° | 174.9° |
| C26 | O28 | C29 | H26 | 111.9° | 60.0° |
| C26 | O28 | C29 | H27 | 7.0° | 60.0° |
| O28 | C26 | N20 | H29 | 2.2° | 5.1° |
| C29 | C30 | H12 | H13 | 119.7° | 120.0° |
| C29 | C30 | C31 | H14 | 101.2° | 60.0° |
| C29 | C30 | C31 | H15 | 18.5° | 60.0° |
| C30 | C29 | H26 | H27 | 118.4° | 120.0° |
| C26 | N20 | C15 | H29 | 180.0° | 180.0° |
| C26 | N20 | C15 | C17 | 178.4° | 146.8° |
| C26 | N20 | C15 | C14 | 1.8° | 33.4° |
| O27 | C26 | N20 | C15 | 1.8° | 5.2° |
| O27 | C26 | N20 | H29 | 178.2° | 174.9° |
| N32 | C35 | C36 | H21 | 120.4° | 120.0° |
| N32 | C35 | C36 | H22 | 120.3° | 120.0° |
| C35 | N32 | C31 | H14 | 45.8° | 173.9° |
| C35 | N32 | C31 | H15 | 165.5° | 53.9° |
| C35 | N32 | C33 | H16 | 171.4° | 40.1° |
| C35 | N32 | C33 | H17 | 53.2° | 79.9° |
| N32 | C35 | H21 | H22 | 118.9° | 120.0° |
| N32 | C35 | C36 | H23 | 180.0° | 56.5° |
| N32 | C35 | C36 | H24 | 60.0° | 63.6° |
| N32 | C35 | C36 | H25 | 60.0° | 176.4° |
| N20 | C15 | C17 | C14 | 176.9° | 179.7° |
| N20 | C15 | C17 | C19 | 178.2° | 179.8° |
| N20 | C15 | C14 | C16 | 178.4° | 179.7° |
| N20 | C15 | C17 | H7 | 1.8° | 0.3° |
| N20 | C15 | C14 | H30 | 1.6° | 0.3° |
| C15 | C17 | C19 | H7 | 180.0° | 179.9° |
| C15 | C17 | C19 | C13 | 179.4° | 180.0° |
| C15 | C17 | C19 | C18 | 0.1° | 0.1° |
| C17 | C15 | C14 | C16 | 1.9° | 0.0° |
| C17 | C15 | N20 | H29 | 1.6° | 33.2° |
| C17 | C15 | C14 | H30 | 178.1° | 180.0° |
| C19 | C17 | C15 | C14 | 1.3° | 0.0° |
| C17 | C19 | C13 | C18 | 179.5° | 179.9° |
| C17 | C19 | C13 | N8 | 86.5° | 90.0° |
| C17 | C19 | C18 | C16 | 0.4° | 0.1° |
| C17 | C19 | C18 | H8 | 179.6° | 180.0° |
| C17 | C19 | C13 | H31 | 152.4° | 150.0° |
| C17 | C19 | C13 | H32 | 34.6° | 30.0° |
| C15 | C14 | C16 | H30 | 180.0° | 180.0° |
| C15 | C14 | C16 | C18 | 1.4° | 0.0° |
| C15 | C14 | C16 | H6 | 178.7° | 180.0° |
| C14 | C15 | C17 | H7 | 178.7° | 180.0° |
| C14 | C15 | N20 | H29 | 178.3° | 146.6° |
| C25 | O23 | C6 | C4 | 35.4° | 0.0° |
| C25 | O23 | C6 | C5 | 146.0° | 179.7° |
| O23 | C25 | H33 | H34 | 120.0° | 120.0° |
| O23 | C25 | H33 | H35 | 120.0° | 120.0° |
| O23 | C25 | H34 | H35 | 120.0° | 120.0° |
| C36 | C35 | H21 | H22 | 119.0° | 120.1° |
| C35 | C36 | H23 | H24 | 120.0° | 120.0° |
| C35 | C36 | H23 | H25 | 120.0° | 120.0° |
| C35 | C36 | H24 | H25 | 120.0° | 120.0° |
| C19 | C13 | N8 | H31 | 121.1° | 120.0° |
| C19 | C13 | N8 | H32 | 121.1° | 120.0° |
| C13 | C19 | C18 | C16 | 179.9° | 180.0° |
| C19 | C13 | N8 | N10 | 77.1° | 95.0° |
| C19 | C13 | N8 | C7 | 78.6° | 85.0° |
| C13 | C19 | C17 | H7 | 0.6° | 0.1° |
| C13 | C19 | C18 | H8 | 0.1° | 0.1° |
| C19 | C13 | H31 | H32 | 116.6° | 120.0° |
| N8 | C13 | C19 | C18 | 94.0° | 90.0° |
| C13 | N8 | N10 | C7 | 156.4° | 180.0° |
| C13 | N8 | N10 | C12 | 176.8° | 157.0° |
| C13 | N8 | C7 | O21 | 13.9° | 0.4° |
| C13 | N8 | C7 | S9 | 163.5° | 179.9° |
| N8 | C13 | H31 | H32 | 116.6° | 120.0° |
| C19 | C18 | C16 | C14 | 0.2° | 0.1° |
| C19 | C18 | C16 | H8 | 180.0° | 180.0° |
| C19 | C18 | C16 | H6 | 179.8° | 180.0° |
| C18 | C19 | C17 | H7 | 179.9° | 180.0° |
| C18 | C19 | C13 | H31 | 27.1° | 29.9° |
| C18 | C19 | C13 | H32 | 144.9° | 149.9° |
| C14 | C16 | C18 | H6 | 180.0° | 180.0° |
| C14 | C16 | C18 | H8 | 179.8° | 180.0° |
| C2 | C4 | C6 | H3 | 180.0° | 179.9° |
| C2 | C4 | C6 | O23 | 179.0° | 179.9° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 0.4° | 0.3° |
| C4 | C2 | C1 | C12 | 179.1° | 180.0° |
| C4 | C2 | C1 | C3 | 0.1° | 0.3° |
| C4 | C6 | O23 | C5 | 178.6° | 179.7° |
| C6 | C4 | C2 | C1 | 0.1° | 0.1° |
| C4 | C6 | C5 | C3 | 1.1° | 0.3° |
| C4 | C6 | C5 | O22 | 179.5° | 179.7° |
| C6 | C4 | C2 | H1 | 179.9° | 179.9° |
| C18 | C16 | C14 | H30 | 178.7° | 180.0° |
| O23 | C6 | C5 | C3 | 179.8° | 180.0° |
| O23 | C6 | C5 | O22 | 0.8° | 0.1° |
| O23 | C6 | C4 | H3 | 1.0° | 0.0° |
| C6 | O23 | C25 | H33 | 180.0° | 60.0° |
| C6 | O23 | C25 | H34 | 60.0° | 60.0° |
| C6 | O23 | C25 | H35 | 60.0° | 180.0° |
| C2 | C1 | C12 | N10 | 26.8° | 179.8° |
| C2 | C1 | C12 | C3 | 179.0° | 179.7° |
| C2 | C1 | C3 | C5 | 0.8° | 0.3° |
| C2 | C1 | C12 | C11 | 154.4° | 0.6° |
| C2 | C1 | C3 | H2 | 179.2° | 179.7° |
| C1 | C2 | C4 | H3 | 179.9° | 180.0° |
| N8 | N10 | C12 | C1 | 177.5° | 179.7° |
| N8 | N10 | C12 | C11 | 3.7° | 0.6° |
| N10 | N8 | C7 | O21 | 167.1° | 179.6° |
| N10 | N8 | C7 | S9 | 10.4° | 0.1° |
| N10 | N8 | C13 | H31 | 161.8° | 24.9° |
| N10 | N8 | C13 | H32 | 44.0° | 145.0° |
| C12 | N10 | N8 | C7 | 26.7° | 23.0° |
| N10 | C12 | C1 | C11 | 178.8° | 179.7° |
| N10 | C12 | C1 | C3 | 152.3° | 0.1° |
| N10 | C12 | C11 | S9 | 42.3° | 36.7° |
| N10 | C12 | C11 | H4 | 77.7° | 83.1° |
| N10 | C12 | C11 | H5 | 162.4° | 156.7° |
| C6 | C5 | C3 | C1 | 1.3° | 0.0° |
| C6 | C5 | C3 | O22 | 179.3° | 180.0° |
| C6 | C5 | O22 | C24 | 179.1° | 180.0° |
| C6 | C5 | C3 | H2 | 178.7° | 180.0° |
| C5 | C6 | C4 | H3 | 179.6° | 179.7° |
| N8 | C7 | O21 | S9 | 177.4° | 179.7° |
| N8 | C7 | S9 | C11 | 24.1° | 31.6° |
| C7 | N8 | C13 | H31 | 42.5° | 155.0° |
| C7 | N8 | C13 | H32 | 160.3° | 35.0° |
| C12 | C1 | C3 | C5 | 179.8° | 180.0° |
| C1 | C12 | C11 | S9 | 138.9° | 142.9° |
| C12 | C1 | C2 | H1 | 0.9° | 0.0° |
| C12 | C1 | C3 | H2 | 0.2° | 0.0° |
| C1 | C12 | C11 | H4 | 101.1° | 97.2° |
| C1 | C12 | C11 | H5 | 18.8° | 22.9° |
| C1 | C3 | C5 | H2 | 180.0° | 180.0° |
| C1 | C3 | C5 | O22 | 179.3° | 180.0° |
| C3 | C1 | C12 | C11 | 26.6° | 179.7° |
| C3 | C1 | C2 | H1 | 179.9° | 179.7° |
| C3 | C5 | O22 | C24 | 1.6° | 0.0° |
| O22 | C5 | C3 | H2 | 0.7° | 0.0° |
| C5 | O22 | C24 | H9 | 180.0° | 180.0° |
| C5 | O22 | C24 | H10 | 60.0° | 60.0° |
| C5 | O22 | C24 | H11 | 60.0° | 60.0° |
| C12 | C11 | S9 | C7 | 47.0° | 46.2° |
| C12 | C11 | S9 | H4 | 120.1° | 119.9° |
| C12 | C11 | S9 | H5 | 120.1° | 120.1° |
| C12 | C11 | H4 | H5 | 119.8° | 120.2° |
| O22 | C24 | H9 | H10 | 120.0° | 120.0° |
| O22 | C24 | H9 | H11 | 120.0° | 120.0° |
| O22 | C24 | H10 | H11 | 120.0° | 120.0° |
| O21 | C7 | S9 | C11 | 158.5° | 148.7° |
| C7 | S9 | C11 | H4 | 73.1° | 73.7° |
| C7 | S9 | C11 | H5 | 167.0° | 166.2° |
| S9 | C11 | H4 | H5 | 119.7° | 120.0° |
| H1 | C2 | C4 | H3 | 0.1° | 0.0° |
| H6 | C16 | C18 | H8 | 0.2° | 0.0° |
| H6 | C16 | C14 | H30 | 1.3° | 0.0° |
| H9 | C24 | H10 | H11 | 120.0° | 120.0° |
| H12 | C30 | C31 | H14 | 138.7° | 60.0° |
| H12 | C30 | C31 | H15 | 101.6° | 180.0° |
| H12 | C30 | C29 | H26 | 174.7° | 60.0° |
| H12 | C30 | C29 | H27 | 66.3° | 180.0° |
| H13 | C30 | C31 | H14 | 18.9° | 180.0° |
| H13 | C30 | C31 | H15 | 138.6° | 60.0° |
| H13 | C30 | C29 | H26 | 65.5° | 180.0° |
| H13 | C30 | C29 | H27 | 53.5° | 60.0° |
| H16 | C33 | C34 | H18 | 59.1° | 66.0° |
| H16 | C33 | C34 | H19 | 60.9° | 173.9° |
| H16 | C33 | C34 | H20 | 179.1° | 54.0° |
| H17 | C33 | C34 | H18 | 59.1° | 173.9° |
| H17 | C33 | C34 | H19 | 179.1° | 53.9° |
| H17 | C33 | C34 | H20 | 60.9° | 66.1° |
| H18 | C34 | H19 | H20 | 120.0° | 120.0° |
| H21 | C35 | C36 | H23 | 59.7° | 63.6° |
| H21 | C35 | C36 | H24 | 179.7° | 176.4° |
| H21 | C35 | C36 | H25 | 60.4° | 56.4° |
| H22 | C35 | C36 | H23 | 59.7° | 176.4° |
| H22 | C35 | C36 | H24 | 60.3° | 56.4° |
| H22 | C35 | C36 | H25 | 179.7° | 63.6° |
| H23 | C36 | H24 | H25 | 120.0° | 120.0° |
| H33 | C25 | H34 | H35 | 120.0° | 120.0° |
