9B1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | N35 | doub | 1.33Å | 1.33Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| N35 | C36 | sing | 1.32Å | 1.32Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | N37 | doub | 1.32Å | 1.32Å | Aromatic |
| N37 | C32 | sing | 1.33Å | 1.33Å | Aromatic |
| C32 | N31 | sing | 1.39Å | 1.38Å | |
| N31 | C25 | sing | 1.40Å | 1.40Å | |
| C25 | C24 | doub | 1.37Å | 1.38Å | |
| C25 | C26 | sing | 1.41Å | 1.40Å | |
| C24 | C23 | sing | 1.41Å | 1.41Å | |
| O27 | C26 | doub | 1.22Å | 1.24Å | |
| C26 | N28 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C19 | sing | 1.48Å | 1.50Å | |
| C23 | C29 | doub | 1.36Å | 1.37Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| N28 | C29 | sing | 1.36Å | 1.36Å | |
| N28 | C30 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C15 | N12 | sing | 1.40Å | 1.40Å | |
| C21 | O22 | sing | 1.43Å | 1.42Å | |
| N12 | C13 | sing | 1.46Å | 1.47Å | |
| N12 | C10 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| C10 | C6 | sing | 1.47Å | 1.45Å | |
| C14 | C5 | sing | 1.52Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | S7 | sing | 1.75Å | 1.73Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| S7 | C8 | sing | 1.72Å | 1.71Å | Aromatic |
| C4 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C9 | C2 | sing | 1.54Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C38 | sing | 1.53Å | 1.53Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| O22 | H17 | sing | 0.97Å | 0.95Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| N31 | H23 | sing | 0.97Å | 1.00Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N35 | C34 | C33 | 118.7° | 119.2° |
| C34 | N35 | C36 | 121.2° | 121.1° |
| N35 | C34 | H25 | 120.7° | 120.5° |
| C34 | C33 | C32 | 118.5° | 118.3° |
| C34 | C33 | H24 | 120.7° | 120.8° |
| C33 | C34 | H25 | 120.6° | 120.4° |
| N35 | C36 | N37 | 121.9° | 121.8° |
| N35 | C36 | H26 | 119.0° | 119.1° |
| C33 | C32 | N37 | 119.1° | 118.9° |
| C33 | C32 | N31 | 118.1° | 120.5° |
| C32 | C33 | H24 | 120.8° | 120.8° |
| C36 | N37 | C32 | 120.6° | 120.7° |
| N37 | C36 | H26 | 119.1° | 119.1° |
| N37 | C32 | N31 | 122.8° | 120.6° |
| C32 | N31 | C25 | 127.0° | 120.0° |
| C32 | N31 | H23 | 116.5° | 119.9° |
| N31 | C25 | C24 | 125.4° | 120.4° |
| N31 | C25 | C26 | 114.1° | 120.3° |
| C25 | N31 | H23 | 116.5° | 120.0° |
| C24 | C25 | C26 | 120.5° | 119.3° |
| C25 | C24 | C23 | 119.5° | 119.2° |
| C25 | C24 | H18 | 120.2° | 120.4° |
| C25 | C26 | O27 | 118.9° | 119.9° |
| C25 | C26 | N28 | 119.0° | 120.2° |
| C24 | C23 | C19 | 121.6° | 120.1° |
| C24 | C23 | C29 | 117.9° | 119.8° |
| C23 | C24 | H18 | 120.3° | 120.4° |
| O27 | C26 | N28 | 122.1° | 119.9° |
| C26 | N28 | C29 | 121.3° | 120.9° |
| C26 | N28 | C30 | 117.4° | 119.6° |
| C17 | C18 | C19 | 121.0° | 120.0° |
| C18 | C17 | C16 | 120.0° | 120.2° |
| C18 | C17 | H13 | 120.0° | 119.9° |
| C17 | C18 | H14 | 119.5° | 120.0° |
| C18 | C19 | C23 | 116.6° | 120.1° |
| C18 | C19 | C20 | 118.9° | 119.8° |
| C19 | C18 | H14 | 119.5° | 119.9° |
| C17 | C16 | C15 | 120.0° | 120.2° |
| C17 | C16 | H12 | 120.0° | 119.9° |
| C16 | C17 | H13 | 120.0° | 119.9° |
| C19 | C23 | C29 | 120.5° | 120.1° |
| C23 | C19 | C20 | 124.4° | 120.1° |
| C23 | C29 | N28 | 121.8° | 120.7° |
| C23 | C29 | H19 | 119.1° | 119.7° |
| C19 | C20 | C15 | 119.3° | 119.8° |
| C19 | C20 | C21 | 120.1° | 120.1° |
| C29 | N28 | C30 | 121.3° | 119.6° |
| N28 | C29 | H19 | 119.1° | 119.6° |
| N28 | C30 | H20 | 109.5° | 109.4° |
| N28 | C30 | H21 | 109.5° | 109.5° |
| N28 | C30 | H22 | 109.5° | 109.5° |
| C16 | C15 | C20 | 120.7° | 119.9° |
| C16 | C15 | N12 | 121.5° | 120.1° |
| C15 | C16 | H12 | 120.0° | 119.9° |
| C15 | C20 | C21 | 120.6° | 120.1° |
| C20 | C15 | N12 | 117.8° | 120.0° |
| C20 | C21 | O22 | 116.6° | 109.5° |
| C20 | C21 | H15 | 107.6° | 109.5° |
| C20 | C21 | H16 | 107.7° | 109.5° |
| C15 | N12 | C13 | 119.2° | 118.9° |
| C15 | N12 | C10 | 118.8° | 118.9° |
| O22 | C21 | H15 | 107.6° | 109.5° |
| O22 | C21 | H16 | 107.7° | 109.4° |
| C21 | O22 | H17 | 109.5° | 114.0° |
| C13 | N12 | C10 | 122.0° | 122.2° |
| N12 | C13 | C14 | 115.5° | 112.6° |
| N12 | C13 | H5 | 108.0° | 108.9° |
| N12 | C13 | H6 | 108.0° | 108.8° |
| N12 | C10 | O11 | 123.7° | 121.7° |
| N12 | C10 | C6 | 117.8° | 116.6° |
| C13 | C14 | C5 | 110.9° | 108.6° |
| C13 | C14 | H1 | 109.1° | 109.5° |
| C13 | C14 | H2 | 109.1° | 109.8° |
| C14 | C13 | H5 | 107.9° | 108.9° |
| C14 | C13 | H6 | 108.0° | 108.9° |
| O11 | C10 | C6 | 118.0° | 121.7° |
| C10 | C6 | C5 | 122.8° | 121.6° |
| C10 | C6 | S7 | 127.2° | 128.9° |
| C14 | C5 | C6 | 120.3° | 120.6° |
| C14 | C5 | C4 | 127.0° | 126.3° |
| C5 | C14 | H1 | 109.1° | 109.6° |
| C5 | C14 | H2 | 109.1° | 109.6° |
| C5 | C6 | S7 | 109.4° | 109.6° |
| C6 | C5 | C4 | 112.8° | 113.2° |
| C6 | S7 | C8 | 92.6° | 91.7° |
| C5 | C4 | C8 | 114.5° | 114.3° |
| C5 | C4 | C3 | 136.0° | 136.0° |
| S7 | C8 | C4 | 110.6° | 111.2° |
| S7 | C8 | C9 | 136.4° | 138.3° |
| C8 | C4 | C3 | 109.4° | 109.7° |
| C4 | C8 | C9 | 113.0° | 110.4° |
| C4 | C3 | C2 | 106.5° | 105.0° |
| C4 | C3 | H7 | 110.2° | 110.4° |
| C4 | C3 | H8 | 110.2° | 110.4° |
| C8 | C9 | C2 | 105.1° | 104.9° |
| C8 | C9 | H3 | 110.6° | 110.4° |
| C8 | C9 | H4 | 110.6° | 110.3° |
| C3 | C2 | C9 | 104.9° | 101.8° |
| C3 | C2 | C1 | 109.7° | 111.0° |
| C3 | C2 | C38 | 110.7° | 111.0° |
| C2 | C3 | H7 | 110.2° | 110.3° |
| C2 | C3 | H8 | 110.2° | 110.3° |
| C9 | C2 | C1 | 109.5° | 111.0° |
| C9 | C2 | C38 | 110.8° | 110.9° |
| C2 | C9 | H3 | 110.5° | 110.4° |
| C2 | C9 | H4 | 110.6° | 110.4° |
| C1 | C2 | C38 | 111.0° | 110.9° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C38 | H27 | 109.5° | 109.5° |
| C2 | C38 | H28 | 109.5° | 109.4° |
| C2 | C38 | H29 | 109.5° | 109.4° |
| H1 | C14 | H2 | 109.4° | 109.6° |
| H3 | C9 | H4 | 109.5° | 110.4° |
| H5 | C13 | H6 | 109.5° | 108.8° |
| H7 | C3 | H8 | 109.5° | 110.4° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H27 | C38 | H29 | 109.5° | 109.5° |
| H28 | C38 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | C34 | C33 | H25 | 180.0° | 179.9° |
| N35 | C34 | C33 | C32 | 0.5° | 0.1° |
| C34 | N35 | C36 | N37 | 0.0° | 0.3° |
| N35 | C34 | C33 | H24 | 179.5° | 180.0° |
| C34 | N35 | C36 | H26 | 180.0° | 180.0° |
| C33 | C34 | N35 | C36 | 0.6° | 0.1° |
| C34 | C33 | C32 | H24 | 180.0° | 179.9° |
| C34 | C33 | C32 | N37 | 0.2° | 0.3° |
| C34 | C33 | C32 | N31 | 179.0° | 180.0° |
| N35 | C36 | N37 | H26 | 180.0° | 179.7° |
| N35 | C36 | N37 | C32 | 0.8° | 0.5° |
| C36 | N35 | C34 | H25 | 179.4° | 180.0° |
| C33 | C32 | N37 | C36 | 0.8° | 0.5° |
| C33 | C32 | N37 | N31 | 178.7° | 179.7° |
| C33 | C32 | N31 | C25 | 170.5° | 6.1° |
| C33 | C32 | N31 | H23 | 9.5° | 173.9° |
| C32 | C33 | C34 | H25 | 179.5° | 180.0° |
| C36 | N37 | C32 | N31 | 179.5° | 179.8° |
| N37 | C32 | N31 | C25 | 10.7° | 173.6° |
| N37 | C32 | N31 | H23 | 169.2° | 6.4° |
| N37 | C32 | C33 | H24 | 179.8° | 179.8° |
| C32 | N37 | C36 | H26 | 179.2° | 179.8° |
| C32 | N31 | C25 | H23 | 180.0° | 180.0° |
| C32 | N31 | C25 | C24 | 13.5° | 120.0° |
| C32 | N31 | C25 | C26 | 167.1° | 60.0° |
| N31 | C32 | C33 | H24 | 1.0° | 0.1° |
| N31 | C25 | C24 | C26 | 179.4° | 180.0° |
| N31 | C25 | C24 | C23 | 179.8° | 179.9° |
| N31 | C25 | C26 | O27 | 0.0° | 0.0° |
| N31 | C25 | C26 | N28 | 179.3° | 179.9° |
| N31 | C25 | C24 | H18 | 0.2° | 0.0° |
| C25 | C24 | C23 | H18 | 180.0° | 179.9° |
| C24 | C25 | C26 | O27 | 179.5° | 180.0° |
| C24 | C25 | C26 | N28 | 0.1° | 0.1° |
| C25 | C24 | C23 | C19 | 177.8° | 180.0° |
| C25 | C24 | C23 | C29 | 0.1° | 0.3° |
| C24 | C25 | N31 | H23 | 166.5° | 60.0° |
| C26 | C25 | C24 | C23 | 0.4° | 0.1° |
| C25 | C26 | O27 | N28 | 179.3° | 180.0° |
| C25 | C26 | N28 | C29 | 1.0° | 0.3° |
| C25 | C26 | N28 | C30 | 179.7° | 180.0° |
| C26 | C25 | C24 | H18 | 179.6° | 180.0° |
| C26 | C25 | N31 | H23 | 12.9° | 120.0° |
| C24 | C23 | C19 | C18 | 45.9° | 104.7° |
| C24 | C23 | C19 | C29 | 177.8° | 179.7° |
| C24 | C23 | C19 | C20 | 137.5° | 75.5° |
| C24 | C23 | C29 | N28 | 0.7° | 0.6° |
| C24 | C23 | C29 | H19 | 179.3° | 179.7° |
| O27 | C26 | N28 | C29 | 179.7° | 179.7° |
| O27 | C26 | N28 | C30 | 0.4° | 0.0° |
| C26 | N28 | C29 | C23 | 1.3° | 0.6° |
| C26 | N28 | C29 | C30 | 179.2° | 179.7° |
| C26 | N28 | C29 | H19 | 178.7° | 179.7° |
| C26 | N28 | C30 | H20 | 180.0° | 0.0° |
| C26 | N28 | C30 | H21 | 60.0° | 120.0° |
| C26 | N28 | C30 | H22 | 60.0° | 120.0° |
| C17 | C18 | C19 | H14 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | C23 | 178.5° | 180.0° |
| C17 | C18 | C19 | C20 | 1.7° | 0.2° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H12 | 179.8° | 179.9° |
| C19 | C18 | C17 | C16 | 0.8° | 0.0° |
| C18 | C19 | C23 | C20 | 176.7° | 179.8° |
| C18 | C19 | C23 | C29 | 132.0° | 75.0° |
| C18 | C19 | C20 | C15 | 2.0° | 0.5° |
| C18 | C19 | C20 | C21 | 178.5° | 180.0° |
| C19 | C18 | C17 | H13 | 179.2° | 179.9° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.6° | 0.3° |
| C17 | C16 | C15 | N12 | 179.9° | 180.0° |
| C16 | C17 | C18 | H14 | 179.3° | 180.0° |
| C19 | C23 | C29 | N28 | 178.6° | 179.7° |
| C23 | C19 | C20 | C15 | 178.6° | 179.7° |
| C23 | C19 | C20 | C21 | 4.9° | 0.2° |
| C23 | C19 | C18 | H14 | 1.5° | 0.0° |
| C19 | C23 | C24 | H18 | 2.2° | 0.1° |
| C19 | C23 | C29 | H19 | 1.4° | 0.0° |
| C29 | C23 | C19 | C20 | 44.7° | 104.8° |
| C23 | C29 | N28 | H19 | 180.0° | 179.7° |
| C23 | C29 | N28 | C30 | 179.4° | 179.7° |
| C29 | C23 | C24 | H18 | 179.9° | 179.7° |
| C19 | C20 | C15 | C16 | 1.5° | 0.5° |
| C19 | C20 | C15 | C21 | 176.4° | 179.5° |
| C19 | C20 | C15 | N12 | 179.2° | 179.8° |
| C19 | C20 | C21 | O22 | 101.3° | 89.9° |
| C20 | C19 | C18 | H14 | 178.3° | 179.8° |
| C19 | C20 | C21 | H15 | 137.7° | 150.1° |
| C19 | C20 | C21 | H16 | 19.8° | 30.0° |
| C29 | N28 | C30 | H20 | 0.8° | 179.7° |
| C29 | N28 | C30 | H21 | 120.8° | 59.7° |
| C29 | N28 | C30 | H22 | 119.2° | 60.3° |
| C30 | N28 | C29 | H19 | 0.6° | 0.1° |
| N28 | C30 | H20 | H21 | 120.0° | 120.0° |
| N28 | C30 | H20 | H22 | 120.0° | 120.0° |
| N28 | C30 | H21 | H22 | 120.0° | 120.0° |
| C16 | C15 | C20 | N12 | 179.3° | 179.7° |
| C16 | C15 | C20 | C21 | 178.0° | 180.0° |
| C16 | C15 | N12 | C13 | 89.8° | 90.0° |
| C16 | C15 | N12 | C10 | 89.2° | 90.0° |
| C15 | C16 | C17 | H13 | 179.8° | 179.9° |
| C15 | C20 | C21 | O22 | 82.3° | 90.5° |
| C20 | C15 | N12 | C13 | 90.9° | 90.3° |
| C20 | C15 | N12 | C10 | 90.1° | 89.7° |
| C20 | C15 | C16 | H12 | 179.4° | 179.8° |
| C15 | C20 | C21 | H15 | 38.7° | 29.4° |
| C15 | C20 | C21 | H16 | 156.6° | 149.5° |
| C21 | C20 | C15 | N12 | 2.7° | 0.3° |
| C20 | C21 | O22 | H15 | 121.0° | 120.0° |
| C20 | C21 | O22 | H16 | 121.0° | 120.0° |
| C20 | C21 | H15 | H16 | 116.7° | 120.0° |
| C20 | C21 | O22 | H17 | 180.0° | 180.0° |
| C15 | N12 | C13 | C10 | 178.9° | 180.0° |
| C15 | N12 | C13 | C14 | 148.9° | 138.5° |
| C15 | N12 | C10 | O11 | 2.3° | 11.4° |
| C15 | N12 | C10 | C6 | 174.5° | 168.6° |
| C15 | N12 | C13 | H5 | 90.2° | 17.6° |
| C15 | N12 | C13 | H6 | 28.0° | 100.8° |
| N12 | C15 | C16 | H12 | 0.1° | 0.1° |
| O22 | C21 | H15 | H16 | 116.7° | 120.0° |
| N12 | C13 | C14 | H5 | 120.9° | 120.9° |
| N12 | C13 | C14 | H6 | 120.9° | 120.7° |
| C13 | N12 | C10 | O11 | 178.8° | 168.7° |
| C13 | N12 | C10 | C6 | 6.6° | 11.3° |
| N12 | C13 | C14 | C5 | 36.1° | 47.1° |
| N12 | C13 | C14 | H1 | 156.3° | 72.6° |
| N12 | C13 | C14 | H2 | 84.2° | 167.0° |
| N12 | C13 | H5 | H6 | 117.3° | 118.4° |
| C10 | N12 | C13 | C14 | 32.1° | 41.5° |
| N12 | C10 | O11 | C6 | 172.2° | 180.0° |
| N12 | C10 | C6 | C5 | 13.5° | 10.2° |
| N12 | C10 | C6 | S7 | 176.0° | 169.3° |
| C10 | N12 | C13 | H5 | 88.7° | 162.4° |
| C10 | N12 | C13 | H6 | 153.0° | 79.2° |
| C13 | C14 | C5 | H1 | 120.2° | 119.7° |
| C13 | C14 | C5 | H2 | 120.2° | 120.0° |
| C13 | C14 | C5 | C6 | 18.7° | 29.3° |
| C13 | C14 | C5 | C4 | 161.0° | 150.6° |
| C13 | C14 | H1 | H2 | 119.3° | 120.5° |
| C14 | C13 | H5 | H6 | 117.3° | 118.5° |
| O11 | C10 | C6 | C5 | 159.2° | 169.8° |
| O11 | C10 | C6 | S7 | 11.3° | 10.7° |
| C10 | C6 | C5 | C14 | 5.9° | 0.9° |
| C10 | C6 | C5 | S7 | 172.0° | 179.6° |
| C10 | C6 | C5 | C4 | 174.3° | 179.1° |
| C10 | C6 | S7 | C8 | 173.6° | 179.2° |
| C14 | C5 | C6 | C4 | 179.8° | 179.9° |
| C14 | C5 | C6 | S7 | 177.9° | 179.5° |
| C14 | C5 | C4 | C8 | 178.8° | 179.6° |
| C14 | C5 | C4 | C3 | 1.1° | 0.0° |
| C5 | C14 | H1 | H2 | 119.3° | 120.4° |
| C5 | C14 | C13 | H5 | 84.8° | 168.0° |
| C5 | C14 | C13 | H6 | 157.0° | 73.5° |
| C5 | C6 | S7 | C8 | 2.1° | 0.4° |
| C6 | C5 | C4 | C8 | 1.4° | 0.4° |
| C6 | C5 | C4 | C3 | 178.7° | 179.9° |
| C6 | C5 | C14 | H1 | 138.9° | 90.4° |
| C6 | C5 | C14 | H2 | 101.5° | 149.2° |
| S7 | C6 | C5 | C4 | 2.3° | 0.5° |
| C6 | S7 | C8 | C4 | 1.3° | 0.1° |
| C6 | S7 | C8 | C9 | 178.9° | 179.9° |
| C5 | C4 | C8 | S7 | 0.2° | 0.1° |
| C5 | C4 | C8 | C3 | 179.9° | 179.7° |
| C5 | C4 | C8 | C9 | 179.9° | 179.7° |
| C5 | C4 | C3 | C2 | 173.7° | 161.9° |
| C4 | C5 | C14 | H1 | 40.8° | 89.7° |
| C4 | C5 | C14 | H2 | 78.7° | 30.7° |
| C5 | C4 | C3 | H7 | 54.2° | 79.2° |
| C5 | C4 | C3 | H8 | 66.8° | 43.0° |
| S7 | C8 | C4 | C9 | 179.9° | 179.8° |
| S7 | C8 | C4 | C3 | 179.7° | 179.9° |
| S7 | C8 | C9 | C2 | 174.0° | 162.1° |
| S7 | C8 | C9 | H3 | 66.7° | 43.2° |
| S7 | C8 | C9 | H4 | 54.7° | 79.0° |
| C8 | C4 | C3 | C2 | 6.4° | 17.7° |
| C4 | C8 | C9 | C2 | 6.1° | 17.6° |
| C4 | C8 | C9 | H3 | 113.2° | 136.5° |
| C4 | C8 | C9 | H4 | 125.4° | 101.3° |
| C8 | C4 | C3 | H7 | 125.9° | 101.2° |
| C8 | C4 | C3 | H8 | 113.2° | 136.6° |
| C3 | C4 | C8 | C9 | 0.1° | 0.1° |
| C4 | C3 | C2 | H7 | 119.6° | 118.9° |
| C4 | C3 | C2 | H8 | 119.5° | 118.9° |
| C4 | C3 | C2 | C9 | 9.7° | 26.9° |
| C4 | C3 | C2 | C1 | 107.8° | 145.0° |
| C4 | C3 | C2 | C38 | 129.3° | 91.3° |
| C4 | C3 | H7 | H8 | 121.4° | 122.2° |
| C8 | C9 | C2 | C3 | 9.5° | 26.8° |
| C8 | C9 | C2 | H3 | 119.3° | 118.9° |
| C8 | C9 | C2 | H4 | 119.3° | 118.8° |
| C8 | C9 | C2 | C1 | 108.2° | 144.9° |
| C8 | C9 | C2 | C38 | 129.0° | 91.4° |
| C8 | C9 | H3 | H4 | 122.0° | 122.2° |
| C3 | C2 | C9 | C1 | 117.7° | 118.1° |
| C3 | C2 | C9 | C38 | 119.6° | 118.1° |
| C3 | C2 | C1 | C38 | 122.7° | 123.8° |
| C3 | C2 | C9 | H3 | 109.8° | 145.7° |
| C3 | C2 | C9 | H4 | 128.8° | 92.1° |
| C2 | C3 | H7 | H8 | 121.3° | 122.1° |
| C3 | C2 | C1 | H9 | 180.0° | 53.9° |
| C3 | C2 | C1 | H10 | 60.0° | 66.1° |
| C3 | C2 | C1 | H11 | 60.0° | 173.8° |
| C3 | C2 | C38 | H27 | 180.0° | 173.9° |
| C3 | C2 | C38 | H28 | 60.0° | 66.1° |
| C3 | C2 | C38 | H29 | 60.0° | 53.8° |
| C9 | C2 | C1 | C38 | 122.6° | 123.8° |
| C2 | C9 | H3 | H4 | 122.0° | 122.3° |
| C9 | C2 | C3 | H7 | 129.3° | 92.0° |
| C9 | C2 | C3 | H8 | 109.8° | 145.8° |
| C9 | C2 | C1 | H9 | 65.3° | 58.6° |
| C9 | C2 | C1 | H10 | 54.7° | 178.6° |
| C9 | C2 | C1 | H11 | 174.7° | 61.4° |
| C9 | C2 | C38 | H27 | 64.0° | 61.5° |
| C9 | C2 | C38 | H28 | 176.0° | 178.5° |
| C9 | C2 | C38 | H29 | 56.0° | 58.6° |
| C1 | C2 | C9 | H3 | 132.4° | 96.2° |
| C1 | C2 | C9 | H4 | 11.1° | 26.1° |
| C1 | C2 | C3 | H7 | 11.8° | 26.1° |
| C1 | C2 | C3 | H8 | 132.7° | 96.1° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | C38 | H27 | 57.8° | 62.3° |
| C1 | C2 | C38 | H28 | 62.2° | 57.7° |
| C1 | C2 | C38 | H29 | 177.8° | 177.6° |
| C38 | C2 | C9 | H3 | 9.7° | 27.5° |
| C38 | C2 | C9 | H4 | 111.7° | 149.8° |
| C38 | C2 | C3 | H7 | 111.2° | 149.8° |
| C38 | C2 | C3 | H8 | 9.7° | 27.7° |
| C38 | C2 | C1 | H9 | 57.3° | 177.7° |
| C38 | C2 | C1 | H10 | 177.2° | 57.7° |
| C38 | C2 | C1 | H11 | 62.7° | 62.3° |
| C2 | C38 | H27 | H28 | 120.0° | 120.0° |
| C2 | C38 | H27 | H29 | 120.0° | 120.0° |
| C2 | C38 | H28 | H29 | 120.0° | 119.9° |
| H1 | C14 | C13 | H5 | 35.4° | 48.3° |
| H1 | C14 | C13 | H6 | 82.8° | 166.8° |
| H2 | C14 | C13 | H5 | 155.0° | 72.1° |
| H2 | C14 | C13 | H6 | 36.7° | 46.3° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H12 | C16 | C17 | H13 | 0.2° | 0.1° |
| H13 | C17 | C18 | H14 | 0.8° | 0.1° |
| H15 | C21 | O22 | H17 | 59.0° | 60.0° |
| H16 | C21 | O22 | H17 | 59.0° | 60.0° |
| H20 | C30 | H21 | H22 | 120.0° | 120.0° |
| H24 | C33 | C34 | H25 | 0.5° | 0.1° |
| H27 | C38 | H28 | H29 | 119.9° | 120.1° |
