9A1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N32 | C31 | sing | 1.49Å | 1.48Å | |
| N32 | C33 | sing | 1.49Å | 1.49Å | |
| C31 | C29 | sing | 1.51Å | 1.50Å | |
| C31 | C35 | sing | 1.54Å | 1.50Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| O30 | C29 | doub | 1.21Å | 1.21Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| C35 | C34 | sing | 1.54Å | 1.51Å | |
| C34 | F36 | sing | 1.40Å | 1.37Å | |
| N28 | C14 | sing | 1.46Å | 1.48Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.51Å | |
| C13 | N12 | sing | 1.47Å | 1.49Å | |
| C15 | C11 | sing | 1.54Å | 1.54Å | |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| N12 | C16 | sing | 1.35Å | 1.31Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | N9 | sing | 1.46Å | 1.47Å | |
| O17 | C16 | doub | 1.21Å | 1.19Å | |
| N9 | C7 | sing | 1.35Å | 1.33Å | |
| C16 | C18 | sing | 1.51Å | 1.48Å | |
| C4 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.41Å | Aromatic |
| C7 | C5 | sing | 1.47Å | 1.48Å | |
| C7 | O8 | doub | 1.22Å | 1.24Å | |
| C5 | S6 | sing | 1.76Å | 1.75Å | Aromatic |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C2 | S6 | sing | 1.76Å | 1.73Å | Aromatic |
| C2 | C1 | sing | 1.43Å | 1.36Å | |
| C1 | C21 | trip | 1.17Å | 1.21Å | |
| C21 | C22 | sing | 1.43Å | 1.33Å | |
| C22 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| N9 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| N28 | H27 | sing | 0.97Å | 1.00Å | |
| N32 | H28 | sing | 1.01Å | 1.00Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N32 | C33 | 104.6° | 104.2° |
| N32 | C31 | C29 | 112.9° | 110.4° |
| N32 | C31 | C35 | 105.0° | 104.6° |
| N32 | C31 | H6 | 109.9° | 110.5° |
| C31 | N32 | H28 | 110.7° | 111.0° |
| N32 | C33 | C34 | 105.6° | 104.6° |
| N32 | C33 | H7 | 110.4° | 110.4° |
| N32 | C33 | H8 | 110.4° | 110.5° |
| C33 | N32 | H28 | 110.7° | 111.0° |
| C29 | C31 | C35 | 109.7° | 110.4° |
| C31 | C29 | O30 | 118.0° | 120.0° |
| C31 | C29 | N28 | 118.1° | 120.0° |
| C29 | C31 | H6 | 109.6° | 110.3° |
| C31 | C35 | C34 | 102.9° | 105.1° |
| C35 | C31 | H6 | 109.6° | 110.4° |
| C31 | C35 | H9 | 111.1° | 110.4° |
| C31 | C35 | H10 | 111.1° | 110.3° |
| C33 | C34 | C35 | 106.4° | 105.1° |
| C33 | C34 | F36 | 110.9° | 110.3° |
| C34 | C33 | H7 | 110.4° | 110.4° |
| C34 | C33 | H8 | 110.4° | 110.4° |
| C33 | C34 | H30 | 109.6° | 110.3° |
| O30 | C29 | N28 | 123.9° | 120.0° |
| C29 | N28 | C14 | 121.8° | 120.0° |
| C29 | N28 | H27 | 119.1° | 120.1° |
| C35 | C34 | F36 | 107.6° | 110.3° |
| C34 | C35 | H9 | 111.1° | 110.3° |
| C34 | C35 | H10 | 111.1° | 110.3° |
| C35 | C34 | H30 | 110.0° | 110.4° |
| F36 | C34 | H30 | 112.2° | 110.3° |
| N28 | C14 | C13 | 112.8° | 111.0° |
| N28 | C14 | C15 | 109.0° | 111.0° |
| N28 | C14 | H2 | 110.9° | 110.9° |
| C14 | N28 | H27 | 119.1° | 119.9° |
| C13 | C14 | C15 | 103.2° | 101.7° |
| C14 | C13 | N12 | 105.1° | 104.8° |
| C13 | C14 | H2 | 110.2° | 111.0° |
| C14 | C13 | H16 | 110.5° | 110.4° |
| C14 | C13 | H17 | 110.6° | 110.4° |
| C14 | C15 | C11 | 106.4° | 102.8° |
| C15 | C14 | H2 | 110.5° | 110.9° |
| C14 | C15 | H18 | 110.2° | 110.7° |
| C14 | C15 | H19 | 110.2° | 110.7° |
| C13 | N12 | C11 | 111.9° | 108.7° |
| C13 | N12 | C16 | 125.1° | 125.7° |
| N12 | C13 | H16 | 110.6° | 110.4° |
| N12 | C13 | H17 | 110.6° | 110.3° |
| C15 | C11 | N12 | 101.8° | 107.4° |
| C15 | C11 | C10 | 111.4° | 109.8° |
| C15 | C11 | H1 | 109.7° | 109.9° |
| C11 | C15 | H18 | 110.2° | 110.9° |
| C11 | C15 | H19 | 110.2° | 110.7° |
| C11 | N12 | C16 | 122.9° | 125.7° |
| N12 | C11 | C10 | 113.2° | 109.9° |
| N12 | C11 | H1 | 110.8° | 109.9° |
| N12 | C16 | O17 | 121.4° | 120.0° |
| N12 | C16 | C18 | 121.6° | 120.0° |
| C11 | C10 | N9 | 108.7° | 109.5° |
| C10 | C11 | H1 | 109.7° | 109.9° |
| C11 | C10 | H14 | 109.7° | 109.5° |
| C11 | C10 | H15 | 109.7° | 109.5° |
| C10 | N9 | C7 | 125.6° | 120.0° |
| C10 | N9 | H13 | 117.2° | 120.0° |
| N9 | C10 | H14 | 109.6° | 109.5° |
| N9 | C10 | H15 | 109.7° | 109.5° |
| O17 | C16 | C18 | 117.0° | 120.0° |
| N9 | C7 | C5 | 119.4° | 120.0° |
| N9 | C7 | O8 | 123.6° | 120.1° |
| C7 | N9 | H13 | 117.2° | 120.0° |
| C16 | C18 | C20 | 115.1° | 117.5° |
| C16 | C18 | C19 | 112.3° | 117.5° |
| C16 | C18 | H20 | 119.1° | 115.5° |
| C3 | C4 | C5 | 111.9° | 114.8° |
| C4 | C3 | C2 | 113.6° | 114.7° |
| C4 | C3 | H11 | 123.2° | 122.7° |
| C3 | C4 | H12 | 124.1° | 122.6° |
| C4 | C5 | C7 | 133.3° | 125.1° |
| C4 | C5 | S6 | 111.8° | 109.8° |
| C5 | C4 | H12 | 124.1° | 122.7° |
| C3 | C2 | S6 | 110.8° | 109.7° |
| C3 | C2 | C1 | 123.7° | 125.2° |
| C2 | C3 | H11 | 123.2° | 122.6° |
| C5 | C7 | O8 | 116.5° | 120.0° |
| C7 | C5 | S6 | 114.7° | 125.1° |
| C5 | S6 | C2 | 91.9° | 91.2° |
| C20 | C18 | C19 | 60.5° | 60.0° |
| C18 | C20 | C19 | 59.6° | 60.0° |
| C20 | C18 | H20 | 118.1° | 117.5° |
| C18 | C20 | H23 | 120.1° | 117.5° |
| C18 | C20 | H24 | 120.1° | 117.5° |
| C18 | C19 | C20 | 59.9° | 60.0° |
| C19 | C18 | H20 | 118.3° | 117.5° |
| C18 | C19 | H21 | 120.0° | 117.5° |
| C18 | C19 | H22 | 120.0° | 117.5° |
| C20 | C19 | H21 | 120.0° | 117.6° |
| C20 | C19 | H22 | 120.0° | 117.5° |
| C19 | C20 | H23 | 120.1° | 117.5° |
| C19 | C20 | H24 | 120.1° | 117.5° |
| S6 | C2 | C1 | 125.3° | 125.2° |
| C2 | C1 | C21 | 174.4° | 180.0° |
| C1 | C21 | C22 | 175.7° | 180.0° |
| C21 | C22 | C27 | 121.2° | 120.2° |
| C21 | C22 | C23 | 120.8° | 120.2° |
| C27 | C22 | C23 | 118.0° | 119.7° |
| C22 | C27 | C26 | 121.0° | 119.8° |
| C22 | C27 | H5 | 119.5° | 120.1° |
| C22 | C23 | C24 | 121.0° | 119.8° |
| C22 | C23 | H25 | 119.5° | 120.1° |
| C27 | C26 | C25 | 120.5° | 120.1° |
| C27 | C26 | H4 | 119.7° | 120.0° |
| C26 | C27 | H5 | 119.5° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.2° |
| C23 | C24 | H3 | 119.9° | 119.9° |
| C24 | C23 | H25 | 119.5° | 120.1° |
| C26 | C25 | C24 | 119.3° | 120.3° |
| C25 | C26 | H4 | 119.8° | 119.9° |
| C26 | C25 | H26 | 120.3° | 119.8° |
| C25 | C24 | H3 | 119.9° | 119.9° |
| C24 | C25 | H26 | 120.4° | 119.8° |
| H7 | C33 | H8 | 109.5° | 110.4° |
| H9 | C35 | H10 | 109.5° | 110.4° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 110.5° |
| H18 | C15 | H19 | 109.5° | 110.8° |
| H21 | C19 | H22 | 109.5° | 115.5° |
| H23 | C20 | H24 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N32 | C33 | H28 | 119.3° | 119.6° |
| N32 | C31 | C29 | C35 | 116.7° | 115.2° |
| N32 | C31 | C29 | H6 | 122.9° | 122.5° |
| N32 | C31 | C35 | H6 | 118.0° | 119.0° |
| C31 | N32 | C33 | C34 | 23.4° | 39.4° |
| N32 | C31 | C29 | O30 | 0.1° | 15.2° |
| N32 | C31 | C29 | N28 | 179.3° | 164.8° |
| N32 | C31 | C35 | C34 | 37.9° | 23.9° |
| C31 | N32 | C33 | H7 | 142.8° | 79.3° |
| C31 | N32 | C33 | H8 | 96.0° | 158.3° |
| N32 | C31 | C35 | H9 | 156.9° | 95.0° |
| N32 | C31 | C35 | H10 | 81.0° | 142.7° |
| C33 | N32 | C31 | C29 | 80.9° | 158.3° |
| C33 | N32 | C31 | C35 | 38.6° | 39.5° |
| N32 | C33 | C34 | H7 | 119.4° | 118.7° |
| N32 | C33 | C34 | H8 | 119.4° | 118.9° |
| N32 | C33 | C34 | C35 | 0.0° | 23.8° |
| N32 | C33 | C34 | F36 | 116.7° | 95.1° |
| C33 | N32 | C31 | H6 | 156.3° | 79.4° |
| N32 | C33 | H7 | H8 | 121.8° | 122.5° |
| N32 | C33 | C34 | H30 | 118.9° | 142.8° |
| C29 | C31 | C35 | H6 | 120.4° | 122.3° |
| C31 | C29 | O30 | N28 | 179.4° | 179.9° |
| C29 | C31 | C35 | C34 | 83.7° | 142.6° |
| C31 | C29 | N28 | C14 | 173.2° | 180.0° |
| C29 | C31 | C35 | H9 | 35.2° | 23.7° |
| C29 | C31 | C35 | H10 | 157.4° | 98.5° |
| C31 | C29 | N28 | H27 | 6.8° | 0.0° |
| C29 | C31 | N32 | H28 | 159.9° | 82.2° |
| C31 | C35 | C34 | C33 | 22.8° | 0.1° |
| C35 | C31 | C29 | O30 | 116.6° | 99.9° |
| C35 | C31 | C29 | N28 | 63.9° | 80.0° |
| C31 | C35 | C34 | H9 | 118.9° | 119.0° |
| C31 | C35 | C34 | H10 | 118.9° | 118.9° |
| C31 | C35 | C34 | F36 | 96.1° | 118.9° |
| C31 | C35 | H9 | H10 | 123.1° | 122.2° |
| C35 | C31 | N32 | H28 | 80.6° | 159.1° |
| C31 | C35 | C34 | H30 | 141.4° | 118.9° |
| C33 | C34 | C35 | F36 | 118.9° | 118.8° |
| C33 | C34 | C35 | H30 | 118.6° | 119.0° |
| C33 | C34 | F36 | H30 | 122.9° | 122.2° |
| C34 | C33 | H7 | H8 | 121.8° | 122.4° |
| C33 | C34 | C35 | H9 | 141.7° | 118.9° |
| C33 | C34 | C35 | H10 | 96.1° | 118.9° |
| C34 | C33 | N32 | H28 | 95.9° | 159.0° |
| O30 | C29 | N28 | C14 | 6.2° | 0.1° |
| O30 | C29 | C31 | H6 | 123.0° | 137.7° |
| O30 | C29 | N28 | H27 | 173.7° | 179.9° |
| C29 | N28 | C14 | H27 | 180.0° | 180.0° |
| C29 | N28 | C14 | C13 | 167.7° | 86.4° |
| C29 | N28 | C14 | C15 | 78.3° | 161.2° |
| C29 | N28 | C14 | H2 | 43.5° | 37.5° |
| N28 | C29 | C31 | H6 | 56.5° | 42.4° |
| C35 | C34 | F36 | H30 | 121.1° | 122.2° |
| C34 | C35 | C31 | H6 | 155.9° | 95.1° |
| C35 | C34 | C33 | H7 | 119.4° | 94.9° |
| C35 | C34 | C33 | H8 | 119.4° | 142.7° |
| C34 | C35 | H9 | H10 | 123.1° | 122.1° |
| F36 | C34 | C33 | H7 | 123.9° | 146.2° |
| F36 | C34 | C33 | H8 | 2.7° | 23.9° |
| F36 | C34 | C35 | H9 | 22.8° | 0.1° |
| F36 | C34 | C35 | H10 | 145.0° | 122.2° |
| N28 | C14 | C13 | C15 | 117.5° | 118.2° |
| N28 | C14 | C13 | H2 | 124.5° | 123.8° |
| N28 | C14 | C15 | H2 | 122.1° | 123.7° |
| N28 | C14 | C13 | N12 | 95.3° | 155.1° |
| N28 | C14 | C15 | C11 | 86.3° | 153.5° |
| N28 | C14 | C13 | H16 | 145.4° | 86.0° |
| N28 | C14 | C13 | H17 | 24.0° | 36.4° |
| N28 | C14 | C15 | H18 | 33.2° | 88.0° |
| N28 | C14 | C15 | H19 | 154.2° | 35.3° |
| C13 | C14 | C15 | H2 | 117.8° | 118.1° |
| C14 | C13 | N12 | H16 | 119.3° | 118.9° |
| C14 | C13 | N12 | H17 | 119.3° | 118.8° |
| C13 | C14 | C15 | C11 | 33.9° | 35.3° |
| C14 | C13 | N12 | C11 | 2.4° | 24.1° |
| C14 | C13 | N12 | C16 | 179.4° | 155.9° |
| C14 | C13 | H16 | H17 | 122.0° | 122.3° |
| C13 | C14 | C15 | H18 | 153.4° | 153.8° |
| C13 | C14 | C15 | H19 | 85.6° | 82.9° |
| C13 | C14 | N28 | H27 | 12.3° | 93.6° |
| C15 | C14 | C13 | N12 | 22.2° | 36.9° |
| C14 | C15 | C11 | H18 | 119.5° | 118.3° |
| C14 | C15 | C11 | H19 | 119.5° | 118.2° |
| C14 | C15 | C11 | N12 | 32.0° | 22.0° |
| C14 | C15 | C11 | C10 | 88.9° | 141.5° |
| C14 | C15 | C11 | H1 | 149.4° | 97.5° |
| C15 | C14 | C13 | H16 | 97.1° | 155.8° |
| C15 | C14 | C13 | H17 | 141.5° | 81.8° |
| C14 | C15 | H18 | H19 | 121.4° | 123.2° |
| C15 | C14 | N28 | H27 | 101.7° | 18.8° |
| C13 | N12 | C11 | C15 | 17.9° | 1.1° |
| C13 | N12 | C11 | C16 | 177.1° | 180.0° |
| C13 | N12 | C11 | C10 | 101.8° | 118.4° |
| C13 | N12 | C16 | O17 | 0.7° | 175.0° |
| C13 | N12 | C16 | C18 | 179.5° | 5.0° |
| C13 | N12 | C11 | H1 | 134.6° | 120.6° |
| N12 | C13 | C14 | H2 | 140.1° | 81.1° |
| N12 | C13 | H16 | H17 | 122.0° | 122.2° |
| C15 | C11 | N12 | C10 | 119.7° | 119.4° |
| C15 | C11 | N12 | H1 | 116.6° | 119.5° |
| C15 | C11 | N12 | C16 | 159.2° | 179.0° |
| C15 | C11 | C10 | H1 | 121.7° | 121.0° |
| C15 | C11 | C10 | N9 | 64.8° | 66.6° |
| C11 | C15 | C14 | H2 | 151.7° | 82.7° |
| C15 | C11 | C10 | H14 | 175.4° | 173.4° |
| C15 | C11 | C10 | H15 | 55.1° | 53.5° |
| C11 | C15 | H18 | H19 | 121.4° | 123.3° |
| N12 | C11 | C10 | H1 | 124.3° | 121.0° |
| N12 | C11 | C10 | N9 | 178.8° | 175.5° |
| C11 | N12 | C16 | O17 | 177.5° | 5.1° |
| C11 | N12 | C16 | C18 | 2.8° | 175.0° |
| N12 | C11 | C10 | H14 | 61.4° | 55.4° |
| N12 | C11 | C10 | H15 | 58.9° | 64.5° |
| C11 | N12 | C13 | H16 | 116.9° | 143.0° |
| C11 | N12 | C13 | H17 | 121.7° | 94.7° |
| N12 | C11 | C15 | H18 | 151.5° | 140.4° |
| N12 | C11 | C15 | H19 | 87.5° | 96.2° |
| C16 | N12 | C11 | C10 | 81.1° | 61.6° |
| N12 | C16 | O17 | C18 | 179.8° | 179.9° |
| N12 | C16 | C18 | C20 | 152.6° | 180.0° |
| N12 | C16 | C18 | C19 | 140.7° | 111.4° |
| C16 | N12 | C11 | H1 | 42.6° | 59.4° |
| C16 | N12 | C13 | H16 | 60.1° | 37.1° |
| C16 | N12 | C13 | H17 | 61.3° | 85.3° |
| N12 | C16 | C18 | H20 | 3.8° | 34.3° |
| C11 | C10 | N9 | H14 | 119.9° | 120.0° |
| C11 | C10 | N9 | H15 | 119.9° | 120.0° |
| C11 | C10 | N9 | C7 | 92.2° | 175.0° |
| C11 | C10 | N9 | H13 | 87.8° | 5.1° |
| C11 | C10 | H14 | H15 | 120.4° | 120.0° |
| C10 | C11 | C15 | H18 | 30.6° | 100.1° |
| C10 | C11 | C15 | H19 | 151.6° | 23.3° |
| C10 | N9 | C7 | H13 | 180.0° | 180.0° |
| C10 | N9 | C7 | C5 | 169.2° | 180.0° |
| C10 | N9 | C7 | O8 | 2.8° | 0.0° |
| N9 | C10 | C11 | H1 | 56.9° | 54.4° |
| N9 | C10 | H14 | H15 | 120.3° | 120.0° |
| O17 | C16 | C18 | C20 | 27.1° | 0.1° |
| O17 | C16 | C18 | C19 | 39.6° | 68.7° |
| O17 | C16 | C18 | H20 | 175.9° | 145.7° |
| N9 | C7 | C5 | C4 | 14.3° | 180.0° |
| N9 | C7 | C5 | O8 | 172.5° | 180.0° |
| N9 | C7 | C5 | S6 | 172.2° | 0.1° |
| C7 | N9 | C10 | H14 | 27.7° | 65.0° |
| C7 | N9 | C10 | H15 | 147.9° | 55.0° |
| C16 | C18 | C20 | C19 | 102.6° | 107.5° |
| C16 | C18 | C20 | H20 | 149.1° | 145.0° |
| C16 | C18 | C19 | H20 | 144.8° | 145.0° |
| C16 | C18 | C19 | H21 | 143.5° | 145.0° |
| C16 | C18 | C19 | H22 | 2.4° | 0.0° |
| C16 | C18 | C20 | H23 | 6.8° | 0.0° |
| C16 | C18 | C20 | H24 | 148.1° | 145.1° |
| C3 | C4 | C5 | H12 | 180.0° | 179.9° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 175.7° | 180.0° |
| C3 | C4 | C5 | S6 | 2.0° | 0.1° |
| C4 | C3 | C2 | S6 | 2.0° | 0.0° |
| C4 | C3 | C2 | C1 | 177.8° | 179.7° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C7 | S6 | 173.5° | 179.9° |
| C4 | C5 | C7 | O8 | 158.2° | 0.0° |
| C4 | C5 | S6 | C2 | 2.7° | 0.1° |
| C5 | C4 | C3 | H11 | 180.0° | 180.0° |
| C3 | C2 | S6 | C5 | 2.6° | 0.0° |
| C3 | C2 | S6 | C1 | 175.7° | 179.7° |
| C3 | C2 | C1 | C21 | 76.6° | 27.7° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C7 | C5 | S6 | C2 | 177.6° | 180.0° |
| C7 | C5 | C4 | H12 | 4.3° | 0.1° |
| C5 | C7 | N9 | H13 | 10.8° | 0.0° |
| O8 | C7 | C5 | S6 | 15.3° | 179.9° |
| O8 | C7 | N9 | H13 | 177.2° | 180.0° |
| C5 | S6 | C2 | C1 | 178.3° | 179.8° |
| S6 | C5 | C4 | H12 | 178.0° | 180.0° |
| C20 | C18 | C19 | H20 | 108.1° | 107.5° |
| C18 | C20 | C19 | H23 | 109.4° | 107.5° |
| C18 | C20 | C19 | H24 | 109.4° | 107.5° |
| C20 | C18 | C19 | H21 | 109.4° | 107.6° |
| C20 | C18 | C19 | H22 | 109.5° | 107.5° |
| C18 | C20 | H23 | H24 | 145.0° | 145.7° |
| C18 | C19 | H21 | H22 | 144.8° | 145.6° |
| C20 | C19 | H21 | H22 | 144.8° | 145.7° |
| C19 | C20 | H23 | H24 | 145.0° | 145.6° |
| S6 | C2 | C1 | C21 | 98.5° | 152.0° |
| S6 | C2 | C3 | H11 | 178.0° | 180.0° |
| C2 | C1 | C21 | C22 | 70.2° | 180.0° |
| C1 | C2 | C3 | H11 | 2.2° | 0.2° |
| C1 | C21 | C22 | C27 | 90.4° | 152.0° |
| C1 | C21 | C22 | C23 | 88.3° | 27.6° |
| C21 | C22 | C27 | C23 | 178.7° | 179.7° |
| C21 | C22 | C27 | C26 | 178.7° | 180.0° |
| C21 | C22 | C23 | C24 | 178.3° | 180.0° |
| C21 | C22 | C27 | H5 | 1.3° | 0.1° |
| C21 | C22 | C23 | H25 | 1.8° | 0.0° |
| C22 | C27 | C26 | H5 | 180.0° | 179.9° |
| C27 | C22 | C23 | C24 | 0.5° | 0.3° |
| C22 | C27 | C26 | C25 | 0.6° | 0.0° |
| C22 | C27 | C26 | H4 | 179.4° | 179.8° |
| C27 | C22 | C23 | H25 | 179.5° | 179.7° |
| C23 | C22 | C27 | C26 | 0.0° | 0.3° |
| C22 | C23 | C24 | H25 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C22 | C23 | C24 | H3 | 179.7° | 179.7° |
| C23 | C22 | C27 | H5 | 180.0° | 179.8° |
| C27 | C26 | C25 | H4 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.8° | 0.3° |
| C27 | C26 | C25 | H26 | 179.2° | 179.8° |
| C23 | C24 | C25 | C26 | 0.3° | 0.3° |
| C23 | C24 | C25 | H3 | 180.0° | 179.7° |
| C23 | C24 | C25 | H26 | 179.7° | 179.8° |
| C26 | C25 | C24 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | H3 | 179.7° | 180.0° |
| C25 | C26 | C27 | H5 | 179.4° | 180.0° |
| C24 | C25 | C26 | H4 | 179.2° | 179.9° |
| C25 | C24 | C23 | H25 | 179.7° | 180.0° |
| H1 | C11 | C10 | H14 | 63.0° | 65.6° |
| H1 | C11 | C10 | H15 | 176.8° | 174.4° |
| H1 | C11 | C15 | H18 | 91.1° | 20.8° |
| H1 | C11 | C15 | H19 | 29.9° | 144.3° |
| H2 | C14 | C13 | H16 | 20.8° | 37.8° |
| H2 | C14 | C13 | H17 | 100.6° | 160.2° |
| H2 | C14 | C15 | H18 | 88.8° | 35.7° |
| H2 | C14 | C15 | H19 | 32.2° | 159.0° |
| H2 | C14 | N28 | H27 | 136.5° | 142.5° |
| H3 | C24 | C23 | H25 | 0.3° | 0.3° |
| H3 | C24 | C25 | H26 | 0.3° | 0.1° |
| H4 | C26 | C27 | H5 | 0.6° | 0.2° |
| H4 | C26 | C25 | H26 | 0.8° | 0.0° |
| H6 | C31 | C35 | H9 | 85.2° | 146.0° |
| H6 | C31 | C35 | H10 | 37.0° | 23.8° |
| H6 | C31 | N32 | H28 | 37.1° | 40.2° |
| H7 | C33 | N32 | H28 | 23.5° | 40.3° |
| H7 | C33 | C34 | H30 | 0.5° | 24.0° |
| H8 | C33 | N32 | H28 | 144.7° | 82.1° |
| H8 | C33 | C34 | H30 | 121.7° | 98.3° |
| H9 | C35 | C34 | H30 | 99.6° | 122.1° |
| H10 | C35 | C34 | H30 | 22.5° | 0.0° |
| H11 | C3 | C4 | H12 | 0.0° | 0.1° |
| H13 | N9 | C10 | H14 | 152.3° | 115.0° |
| H13 | N9 | C10 | H15 | 32.1° | 125.1° |
| H20 | C18 | C19 | H21 | 1.3° | 0.0° |
| H20 | C18 | C19 | H22 | 142.4° | 145.0° |
| H20 | C18 | C20 | H23 | 142.3° | 145.0° |
| H20 | C18 | C20 | H24 | 1.0° | 0.1° |
| H21 | C19 | C20 | H23 | 141.1° | 145.0° |
| H21 | C19 | C20 | H24 | 0.1° | 0.0° |
| H22 | C19 | C20 | H23 | 0.0° | 0.1° |
| H22 | C19 | C20 | H24 | 141.2° | 145.0° |
