8B1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | O | sing | 1.43Å | 1.42Å | |
| C19 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| N3 | C16 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O | C17 | sing | 1.43Å | 1.43Å | |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| O1 | C13 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N2 | C13 | sing | 1.35Å | 1.33Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C11 | C20 | sing | 1.53Å | 1.52Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| C20 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| N1 | C10 | sing | 1.35Å | 1.34Å | |
| O3 | C26 | doub | 1.21Å | 1.23Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | N4 | sing | 1.46Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C26 | N4 | sing | 1.35Å | 1.34Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.51Å | 1.48Å | |
| N | C7 | doub | 1.28Å | 1.29Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| C7 | S | sing | 1.71Å | 1.74Å | Aromatic |
| C29 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| S | C5 | sing | 1.76Å | 1.74Å | Aromatic |
| C30 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C | H35 | sing | 1.09Å | 1.10Å | |
| C | H36 | sing | 1.09Å | 1.10Å | |
| C | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| C21 | H47 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | O | 111.5° | 109.3° |
| C18 | C19 | N3 | 110.6° | 109.3° |
| C19 | C18 | H24 | 109.0° | 109.5° |
| C19 | C18 | H25 | 109.0° | 109.5° |
| C18 | C19 | H26 | 109.2° | 109.5° |
| C18 | C19 | H27 | 109.2° | 109.5° |
| C18 | O | C17 | 110.2° | 113.8° |
| O | C18 | H24 | 109.0° | 109.5° |
| O | C18 | H25 | 109.0° | 109.5° |
| C19 | N3 | C15 | 108.5° | 111.0° |
| C19 | N3 | C16 | 109.6° | 110.8° |
| N3 | C19 | H26 | 109.2° | 109.5° |
| N3 | C19 | H27 | 109.2° | 109.5° |
| C15 | N3 | C16 | 111.5° | 111.0° |
| N3 | C15 | C14 | 118.3° | 109.5° |
| N3 | C15 | H18 | 107.2° | 109.5° |
| N3 | C15 | H19 | 107.2° | 109.5° |
| N3 | C16 | C17 | 110.6° | 109.2° |
| N3 | C16 | H20 | 109.2° | 109.5° |
| N3 | C16 | H21 | 109.2° | 109.5° |
| C15 | C14 | C13 | 111.4° | 109.5° |
| C15 | C14 | H16 | 109.0° | 109.5° |
| C15 | C14 | H17 | 109.0° | 109.4° |
| C14 | C15 | H18 | 107.2° | 109.4° |
| C14 | C15 | H19 | 107.2° | 109.5° |
| O | C17 | C16 | 111.6° | 109.3° |
| O | C17 | H22 | 108.9° | 109.5° |
| O | C17 | H23 | 109.0° | 109.5° |
| N2 | C12 | C11 | 108.5° | 109.5° |
| C12 | N2 | C13 | 124.0° | 120.0° |
| C12 | N2 | H6 | 118.0° | 119.9° |
| N2 | C12 | H14 | 109.7° | 109.5° |
| N2 | C12 | H15 | 109.7° | 109.5° |
| C12 | C11 | C20 | 118.1° | 109.5° |
| C12 | C11 | N1 | 108.8° | 109.4° |
| C12 | C11 | H13 | 107.9° | 109.5° |
| C11 | C12 | H14 | 109.7° | 109.4° |
| C11 | C12 | H15 | 109.7° | 109.5° |
| O1 | C13 | N2 | 122.4° | 120.0° |
| O1 | C13 | C14 | 121.6° | 120.0° |
| C22 | C21 | C20 | 111.6° | 109.5° |
| C21 | C22 | C23 | 111.5° | 109.5° |
| C21 | C22 | H45 | 108.9° | 109.5° |
| C21 | C22 | H46 | 108.9° | 109.5° |
| C22 | C21 | H47 | 108.9° | 109.5° |
| C22 | C21 | H48 | 109.0° | 109.5° |
| C21 | C20 | C11 | 125.6° | 109.5° |
| C21 | C20 | C25 | 111.1° | 109.4° |
| C21 | C20 | H38 | 99.3° | 109.4° |
| C20 | C21 | H47 | 108.9° | 109.5° |
| C20 | C21 | H48 | 108.9° | 109.4° |
| N2 | C13 | C14 | 116.0° | 120.0° |
| C13 | N2 | H6 | 118.0° | 120.1° |
| C13 | C14 | H16 | 109.0° | 109.5° |
| C13 | C14 | H17 | 109.0° | 109.5° |
| C22 | C23 | C24 | 111.3° | 109.4° |
| C22 | C23 | H43 | 109.0° | 109.5° |
| C22 | C23 | H44 | 109.0° | 109.5° |
| C23 | C22 | H45 | 108.9° | 109.4° |
| C23 | C22 | H46 | 109.0° | 109.5° |
| C17 | C16 | H20 | 109.2° | 109.5° |
| C17 | C16 | H21 | 109.2° | 109.6° |
| C16 | C17 | H22 | 108.9° | 109.5° |
| C16 | C17 | H23 | 108.9° | 109.5° |
| C20 | C11 | N1 | 104.6° | 109.5° |
| C11 | C20 | C25 | 115.5° | 109.5° |
| C20 | C11 | H13 | 108.1° | 109.5° |
| C11 | C20 | H38 | 99.3° | 109.5° |
| C11 | N1 | C10 | 122.1° | 120.0° |
| C11 | N1 | H2 | 119.0° | 120.0° |
| N1 | C11 | H13 | 109.0° | 109.5° |
| C20 | C25 | C24 | 112.3° | 109.5° |
| C25 | C20 | H38 | 99.2° | 109.5° |
| C20 | C25 | H39 | 108.8° | 109.5° |
| C20 | C25 | H40 | 108.8° | 109.5° |
| C23 | C24 | C25 | 111.7° | 109.5° |
| C23 | C24 | H41 | 108.9° | 109.5° |
| C23 | C24 | H42 | 108.9° | 109.5° |
| C24 | C23 | H43 | 109.0° | 109.5° |
| C24 | C23 | H44 | 109.0° | 109.4° |
| N1 | C10 | C9 | 116.3° | 120.0° |
| N1 | C10 | O2 | 122.9° | 120.0° |
| C10 | N1 | H2 | 119.0° | 120.0° |
| O3 | C26 | N4 | 122.7° | 120.0° |
| O3 | C26 | C27 | 121.9° | 120.0° |
| C24 | C25 | H39 | 108.7° | 109.5° |
| C24 | C25 | H40 | 108.8° | 109.5° |
| C25 | C24 | H41 | 108.9° | 109.5° |
| C25 | C24 | H42 | 108.9° | 109.5° |
| C9 | C10 | O2 | 120.7° | 120.0° |
| C10 | C9 | N4 | 109.8° | 109.5° |
| C10 | C9 | C8 | 110.2° | 109.5° |
| C10 | C9 | H12 | 108.5° | 109.4° |
| N4 | C9 | C8 | 110.3° | 109.5° |
| C9 | N4 | C26 | 124.9° | 120.0° |
| C9 | N4 | H9 | 117.6° | 120.0° |
| N4 | C9 | H12 | 109.5° | 109.5° |
| C9 | C8 | C7 | 117.2° | 109.5° |
| C9 | C8 | H10 | 107.5° | 109.5° |
| C9 | C8 | H11 | 107.5° | 109.5° |
| C8 | C9 | H12 | 108.4° | 109.4° |
| N4 | C26 | C27 | 115.4° | 120.0° |
| C26 | N4 | H9 | 117.5° | 120.0° |
| C26 | C27 | C28 | 113.1° | 109.5° |
| C26 | C27 | H28 | 108.6° | 109.5° |
| C26 | C27 | H29 | 108.6° | 109.4° |
| C28 | C27 | H28 | 108.6° | 109.5° |
| C28 | C27 | H29 | 108.6° | 109.5° |
| C27 | C28 | H30 | 109.5° | 109.5° |
| C27 | C28 | H31 | 109.5° | 109.5° |
| C27 | C28 | H32 | 109.5° | 109.5° |
| C8 | C7 | N | 126.3° | 124.3° |
| C8 | C7 | S | 117.5° | 124.2° |
| C7 | C8 | H10 | 107.5° | 109.5° |
| C7 | C8 | H11 | 107.5° | 109.5° |
| C7 | N | C6 | 110.6° | 117.9° |
| N | C7 | S | 116.2° | 111.5° |
| N | C6 | C29 | 126.1° | 129.7° |
| N | C6 | C5 | 114.8° | 111.7° |
| C7 | S | C5 | 88.9° | 90.8° |
| C6 | C29 | C30 | 119.4° | 120.5° |
| C29 | C6 | C5 | 119.1° | 118.5° |
| C6 | C29 | H33 | 120.3° | 119.8° |
| C29 | C30 | C3 | 121.6° | 120.7° |
| C30 | C29 | H33 | 120.3° | 119.8° |
| C29 | C30 | H34 | 119.2° | 119.6° |
| C6 | C5 | S | 109.5° | 108.0° |
| C6 | C5 | C4 | 121.8° | 120.2° |
| S | C5 | C4 | 128.7° | 131.8° |
| C30 | C3 | C4 | 119.4° | 120.1° |
| C30 | C3 | C1 | 119.8° | 120.0° |
| C3 | C30 | H34 | 119.2° | 119.6° |
| C5 | C4 | C3 | 118.8° | 120.0° |
| C5 | C4 | H8 | 120.6° | 120.0° |
| C4 | C3 | C1 | 120.7° | 119.9° |
| C3 | C4 | H8 | 120.6° | 120.0° |
| C3 | C1 | C2 | 113.3° | 109.5° |
| C3 | C1 | C | 113.8° | 109.4° |
| C3 | C1 | H1 | 106.0° | 109.5° |
| C2 | C1 | C | 111.1° | 109.5° |
| C2 | C1 | H1 | 106.0° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 109.5° | 109.4° |
| C1 | C2 | H5 | 109.5° | 109.5° |
| C | C1 | H1 | 105.9° | 109.5° |
| C1 | C | H35 | 109.5° | 109.5° |
| C1 | C | H36 | 109.5° | 109.5° |
| C1 | C | H37 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H3 | C2 | H5 | 109.4° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.6° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.4° | 109.5° |
| H30 | C28 | H32 | 109.5° | 109.4° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H35 | C | H36 | 109.5° | 109.5° |
| H35 | C | H37 | 109.4° | 109.5° |
| H36 | C | H37 | 109.5° | 109.4° |
| H39 | C25 | H40 | 109.4° | 109.5° |
| H41 | C24 | H42 | 109.4° | 109.5° |
| H43 | C23 | H44 | 109.5° | 109.4° |
| H45 | C22 | H46 | 109.5° | 109.4° |
| H47 | C21 | H48 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | O | H24 | 120.3° | 119.9° |
| C19 | C18 | O | H25 | 120.3° | 120.0° |
| C18 | C19 | N3 | H26 | 120.2° | 120.0° |
| C18 | C19 | N3 | H27 | 120.2° | 120.0° |
| C18 | C19 | N3 | C15 | 177.2° | 177.7° |
| C18 | C19 | N3 | C16 | 55.1° | 58.6° |
| C19 | C18 | O | C17 | 58.8° | 58.6° |
| C19 | C18 | H24 | H25 | 119.1° | 120.1° |
| C18 | C19 | H26 | H27 | 119.5° | 120.1° |
| O | C18 | C19 | N3 | 57.9° | 56.8° |
| C18 | O | C17 | C16 | 58.3° | 58.6° |
| C18 | O | C17 | H22 | 62.0° | 178.6° |
| C18 | O | C17 | H23 | 178.6° | 61.3° |
| O | C18 | H24 | H25 | 119.1° | 120.1° |
| O | C18 | C19 | H26 | 62.3° | 176.8° |
| O | C18 | C19 | H27 | 178.0° | 63.1° |
| C19 | N3 | C15 | C16 | 120.9° | 123.6° |
| C19 | N3 | C15 | C14 | 174.5° | 66.4° |
| C19 | N3 | C16 | C17 | 54.7° | 58.6° |
| C19 | N3 | C15 | H18 | 53.2° | 173.6° |
| C19 | N3 | C15 | H19 | 64.2° | 53.6° |
| C19 | N3 | C16 | H20 | 65.5° | 61.3° |
| C19 | N3 | C16 | H21 | 174.9° | 178.6° |
| N3 | C19 | C18 | H24 | 62.4° | 63.1° |
| N3 | C19 | C18 | H25 | 178.2° | 176.8° |
| N3 | C19 | H26 | H27 | 119.5° | 120.1° |
| N3 | C15 | C14 | H18 | 121.3° | 120.0° |
| N3 | C15 | C14 | H19 | 121.3° | 120.0° |
| N3 | C15 | C14 | C13 | 165.2° | 180.0° |
| C15 | N3 | C16 | C17 | 174.9° | 177.6° |
| N3 | C15 | C14 | H16 | 44.9° | 60.0° |
| N3 | C15 | C14 | H17 | 74.5° | 60.0° |
| N3 | C15 | H18 | H19 | 116.0° | 120.1° |
| C15 | N3 | C16 | H20 | 54.7° | 62.5° |
| C15 | N3 | C16 | H21 | 64.9° | 57.6° |
| C15 | N3 | C19 | H26 | 57.0° | 57.7° |
| C15 | N3 | C19 | H27 | 62.6° | 62.4° |
| C16 | N3 | C15 | C14 | 53.7° | 170.0° |
| N3 | C16 | C17 | O | 56.9° | 56.8° |
| N3 | C16 | C17 | H20 | 120.2° | 119.9° |
| N3 | C16 | C17 | H21 | 120.2° | 119.9° |
| C16 | N3 | C15 | H18 | 67.6° | 50.0° |
| C16 | N3 | C15 | H19 | 174.9° | 70.0° |
| N3 | C16 | H20 | H21 | 119.5° | 120.1° |
| N3 | C16 | C17 | H22 | 63.4° | 176.8° |
| N3 | C16 | C17 | H23 | 177.2° | 63.1° |
| C16 | N3 | C19 | H26 | 65.0° | 178.6° |
| C16 | N3 | C19 | H27 | 175.3° | 61.4° |
| C15 | C14 | C13 | O1 | 123.8° | 0.0° |
| C15 | C14 | C13 | N2 | 56.6° | 180.0° |
| C15 | C14 | C13 | H16 | 120.3° | 120.0° |
| C15 | C14 | C13 | H17 | 120.3° | 120.0° |
| C15 | C14 | H16 | H17 | 119.1° | 120.0° |
| C14 | C15 | H18 | H19 | 116.0° | 120.0° |
| O | C17 | C16 | H22 | 120.3° | 120.0° |
| O | C17 | C16 | H23 | 120.3° | 119.9° |
| O | C17 | C16 | H20 | 63.3° | 63.1° |
| O | C17 | C16 | H21 | 177.0° | 176.8° |
| O | C17 | H22 | H23 | 119.1° | 120.1° |
| C17 | O | C18 | H24 | 61.5° | 61.3° |
| C17 | O | C18 | H25 | 179.1° | 178.6° |
| N2 | C12 | C11 | H14 | 119.9° | 120.0° |
| N2 | C12 | C11 | H15 | 119.9° | 120.0° |
| C12 | N2 | C13 | O1 | 1.9° | 0.0° |
| C12 | N2 | C13 | H6 | 180.0° | 180.0° |
| C12 | N2 | C13 | C14 | 177.7° | 180.0° |
| N2 | C12 | C11 | C20 | 179.2° | 175.0° |
| N2 | C12 | C11 | N1 | 60.3° | 55.0° |
| N2 | C12 | C11 | H13 | 57.9° | 65.0° |
| N2 | C12 | H14 | H15 | 120.5° | 120.0° |
| C12 | C11 | C20 | C21 | 10.7° | 60.0° |
| C11 | C12 | N2 | C13 | 108.8° | 180.0° |
| C12 | C11 | C20 | N1 | 121.2° | 120.0° |
| C12 | C11 | C20 | H13 | 122.8° | 120.0° |
| C12 | C11 | N1 | H13 | 117.5° | 120.0° |
| C12 | C11 | C20 | C25 | 135.7° | 180.0° |
| C12 | C11 | N1 | C10 | 129.5° | 155.0° |
| C12 | C11 | N1 | H2 | 50.5° | 25.0° |
| C11 | C12 | N2 | H6 | 71.2° | 0.0° |
| C11 | C12 | H14 | H15 | 120.4° | 120.0° |
| C12 | C11 | C20 | H38 | 119.3° | 60.0° |
| O1 | C13 | N2 | C14 | 179.6° | 180.0° |
| O1 | C13 | N2 | H6 | 178.1° | 180.0° |
| O1 | C13 | C14 | H16 | 3.5° | 120.0° |
| O1 | C13 | C14 | H17 | 115.9° | 120.0° |
| C22 | C21 | C20 | H47 | 120.3° | 120.1° |
| C22 | C21 | C20 | H48 | 120.3° | 120.0° |
| C21 | C22 | C23 | H45 | 120.3° | 120.0° |
| C21 | C22 | C23 | H46 | 120.3° | 120.1° |
| C22 | C21 | C20 | C11 | 157.9° | 180.0° |
| C22 | C21 | C20 | C25 | 54.5° | 60.0° |
| C21 | C22 | C23 | C24 | 55.1° | 60.0° |
| C22 | C21 | C20 | H38 | 49.2° | 60.0° |
| C21 | C22 | C23 | H43 | 175.4° | 60.0° |
| C21 | C22 | C23 | H44 | 65.2° | 180.0° |
| C21 | C22 | H45 | H46 | 119.1° | 120.0° |
| C22 | C21 | H47 | H48 | 119.0° | 120.0° |
| C20 | C21 | C22 | C23 | 55.7° | 60.0° |
| C21 | C20 | C11 | C25 | 146.4° | 120.0° |
| C21 | C20 | C11 | H38 | 108.6° | 120.0° |
| C21 | C20 | C11 | N1 | 110.4° | 180.0° |
| C21 | C20 | C25 | H38 | 103.8° | 119.9° |
| C21 | C20 | C25 | C24 | 53.6° | 60.0° |
| C21 | C20 | C11 | H13 | 133.5° | 60.0° |
| C21 | C20 | C25 | H39 | 66.8° | 60.0° |
| C21 | C20 | C25 | H40 | 174.0° | 180.0° |
| C20 | C21 | C22 | H45 | 64.6° | 180.0° |
| C20 | C21 | C22 | H46 | 176.0° | 60.0° |
| C20 | C21 | H47 | H48 | 119.0° | 119.9° |
| C13 | N2 | C12 | H14 | 131.3° | 60.0° |
| C13 | N2 | C12 | H15 | 11.0° | 60.0° |
| N2 | C13 | C14 | H16 | 176.9° | 60.0° |
| N2 | C13 | C14 | H17 | 63.7° | 60.0° |
| C14 | C13 | N2 | H6 | 2.3° | 0.1° |
| C13 | C14 | H16 | H17 | 119.1° | 120.0° |
| C13 | C14 | C15 | H18 | 73.6° | 60.0° |
| C13 | C14 | C15 | H19 | 43.9° | 60.0° |
| C22 | C23 | C24 | H43 | 120.3° | 120.0° |
| C22 | C23 | C24 | H44 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 53.9° | 60.0° |
| C22 | C23 | C24 | H41 | 66.5° | 180.0° |
| C22 | C23 | C24 | H42 | 174.2° | 60.0° |
| C22 | C23 | H43 | H44 | 119.1° | 120.1° |
| C23 | C22 | H45 | H46 | 119.1° | 120.0° |
| C23 | C22 | C21 | H47 | 64.6° | 179.9° |
| C23 | C22 | C21 | H48 | 176.0° | 60.0° |
| C17 | C16 | H20 | H21 | 119.5° | 120.2° |
| C16 | C17 | H22 | H23 | 119.0° | 120.1° |
| C20 | C11 | N1 | H13 | 115.5° | 120.1° |
| C11 | C20 | C25 | H38 | 105.0° | 120.1° |
| C20 | C11 | N1 | C10 | 103.4° | 85.1° |
| C11 | C20 | C25 | C24 | 155.2° | 180.0° |
| C20 | C11 | N1 | H2 | 76.6° | 95.0° |
| C20 | C11 | C12 | H14 | 59.4° | 55.0° |
| C20 | C11 | C12 | H15 | 60.9° | 65.0° |
| C11 | C20 | C25 | H39 | 84.3° | 60.0° |
| C11 | C20 | C25 | H40 | 34.8° | 60.0° |
| C11 | C20 | C21 | H47 | 81.8° | 60.0° |
| C11 | C20 | C21 | H48 | 37.5° | 59.9° |
| N1 | C11 | C20 | C25 | 103.2° | 60.0° |
| C11 | N1 | C10 | H2 | 180.0° | 180.0° |
| C11 | N1 | C10 | C9 | 159.2° | 180.0° |
| C11 | N1 | C10 | O2 | 18.8° | 0.1° |
| N1 | C11 | C12 | H14 | 59.6° | 65.0° |
| N1 | C11 | C12 | H15 | 179.9° | 175.0° |
| N1 | C11 | C20 | H38 | 1.8° | 60.0° |
| C20 | C25 | C24 | C23 | 53.5° | 60.0° |
| C20 | C25 | C24 | H39 | 120.5° | 120.0° |
| C20 | C25 | C24 | H40 | 120.5° | 120.0° |
| C25 | C20 | C11 | H13 | 12.9° | 60.0° |
| C20 | C25 | H39 | H40 | 118.7° | 120.0° |
| C20 | C25 | C24 | H41 | 66.9° | 180.0° |
| C20 | C25 | C24 | H42 | 173.8° | 60.0° |
| C25 | C20 | C21 | H47 | 65.8° | 180.0° |
| C25 | C20 | C21 | H48 | 174.9° | 60.1° |
| C23 | C24 | C25 | H41 | 120.4° | 120.0° |
| C23 | C24 | C25 | H42 | 120.4° | 120.0° |
| C23 | C24 | C25 | H39 | 67.0° | 60.0° |
| C23 | C24 | C25 | H40 | 173.9° | 180.0° |
| C23 | C24 | H41 | H42 | 119.0° | 120.0° |
| C24 | C23 | H43 | H44 | 119.2° | 120.0° |
| C24 | C23 | C22 | H45 | 65.2° | 180.0° |
| C24 | C23 | C22 | H46 | 175.4° | 60.0° |
| N1 | C10 | C9 | O2 | 178.0° | 179.9° |
| N1 | C10 | C9 | N4 | 85.5° | 160.0° |
| N1 | C10 | C9 | C8 | 152.7° | 80.0° |
| N1 | C10 | C9 | H12 | 34.1° | 39.9° |
| C10 | N1 | C11 | H13 | 12.1° | 35.0° |
| O3 | C26 | N4 | C9 | 3.0° | 0.1° |
| O3 | C26 | N4 | C27 | 180.0° | 179.9° |
| O3 | C26 | C27 | C28 | 73.9° | 0.1° |
| O3 | C26 | N4 | H9 | 177.0° | 180.0° |
| O3 | C26 | C27 | H28 | 165.5° | 120.0° |
| O3 | C26 | C27 | H29 | 46.6° | 120.0° |
| C24 | C25 | C20 | H38 | 50.2° | 60.0° |
| C24 | C25 | H39 | H40 | 118.7° | 120.0° |
| C25 | C24 | H41 | H42 | 119.0° | 120.0° |
| C25 | C24 | C23 | H43 | 174.1° | 60.0° |
| C25 | C24 | C23 | H44 | 66.4° | 180.0° |
| C10 | C9 | N4 | C8 | 121.6° | 120.0° |
| C10 | C9 | N4 | H12 | 119.1° | 120.0° |
| C10 | C9 | C8 | H12 | 118.7° | 119.9° |
| C10 | C9 | N4 | C26 | 113.9° | 60.0° |
| C10 | C9 | C8 | C7 | 178.0° | 175.0° |
| C9 | C10 | N1 | H2 | 20.8° | 0.0° |
| C10 | C9 | N4 | H9 | 66.1° | 120.0° |
| C10 | C9 | C8 | H10 | 60.9° | 55.0° |
| C10 | C9 | C8 | H11 | 56.9° | 65.0° |
| O2 | C10 | C9 | N4 | 92.4° | 20.0° |
| O2 | C10 | C9 | C8 | 29.3° | 100.1° |
| O2 | C10 | N1 | H2 | 161.2° | 180.0° |
| O2 | C10 | C9 | H12 | 147.9° | 140.0° |
| N4 | C9 | C8 | H12 | 119.9° | 120.0° |
| C9 | N4 | C26 | H9 | 180.0° | 179.9° |
| C9 | N4 | C26 | C27 | 177.0° | 180.0° |
| N4 | C9 | C8 | C7 | 60.6° | 65.0° |
| N4 | C9 | C8 | H10 | 60.5° | 175.0° |
| N4 | C9 | C8 | H11 | 178.3° | 55.0° |
| C8 | C9 | N4 | C26 | 124.4° | 60.1° |
| C9 | C8 | C7 | H10 | 121.1° | 120.0° |
| C9 | C8 | C7 | H11 | 121.1° | 120.0° |
| C9 | C8 | C7 | N | 105.2° | 89.9° |
| C9 | C8 | C7 | S | 73.9° | 90.0° |
| C8 | C9 | N4 | H9 | 55.6° | 120.0° |
| C9 | C8 | H10 | H11 | 116.5° | 120.0° |
| N4 | C26 | C27 | C28 | 106.1° | 180.0° |
| C26 | N4 | C9 | H12 | 5.1° | 180.0° |
| N4 | C26 | C27 | H28 | 14.4° | 59.9° |
| N4 | C26 | C27 | H29 | 133.4° | 60.1° |
| C26 | C27 | C28 | H28 | 120.5° | 120.0° |
| C26 | C27 | C28 | H29 | 120.5° | 119.9° |
| C27 | C26 | N4 | H9 | 3.0° | 0.1° |
| C26 | C27 | H28 | H29 | 118.3° | 120.0° |
| C26 | C27 | C28 | H30 | 180.0° | 60.0° |
| C26 | C27 | C28 | H31 | 60.0° | 60.0° |
| C26 | C27 | C28 | H32 | 60.0° | 179.9° |
| C28 | C27 | H28 | H29 | 118.4° | 120.0° |
| C27 | C28 | H30 | H31 | 120.0° | 120.0° |
| C27 | C28 | H30 | H32 | 120.0° | 120.0° |
| C27 | C28 | H31 | H32 | 120.0° | 120.1° |
| C8 | C7 | N | S | 179.1° | 180.0° |
| C8 | C7 | N | C6 | 179.1° | 180.0° |
| C8 | C7 | S | C5 | 178.7° | 180.0° |
| C7 | C8 | H10 | H11 | 116.5° | 120.0° |
| C7 | C8 | C9 | H12 | 59.3° | 55.1° |
| C7 | N | C6 | C29 | 176.8° | 180.0° |
| C7 | N | C6 | C5 | 0.7° | 0.0° |
| N | C7 | S | C5 | 0.5° | 0.0° |
| N | C7 | C8 | H10 | 133.7° | 150.1° |
| N | C7 | C8 | H11 | 15.9° | 30.1° |
| C6 | N | C7 | S | 0.0° | 0.0° |
| N | C6 | C29 | C5 | 177.4° | 179.9° |
| N | C6 | C29 | C30 | 177.2° | 179.7° |
| N | C6 | C5 | S | 1.1° | 0.0° |
| N | C6 | C5 | C4 | 178.9° | 180.0° |
| N | C6 | C29 | H33 | 2.8° | 0.1° |
| C7 | S | C5 | C6 | 0.9° | 0.0° |
| C7 | S | C5 | C4 | 178.5° | 180.0° |
| S | C7 | C8 | H10 | 47.2° | 30.0° |
| S | C7 | C8 | H11 | 165.0° | 150.0° |
| C6 | C29 | C30 | H33 | 180.0° | 179.6° |
| C29 | C6 | C5 | S | 176.6° | 180.0° |
| C6 | C29 | C30 | C3 | 0.7° | 0.6° |
| C29 | C6 | C5 | C4 | 1.2° | 0.0° |
| C6 | C29 | C30 | H34 | 179.3° | 179.9° |
| C30 | C29 | C6 | C5 | 0.2° | 0.3° |
| C29 | C30 | C3 | H34 | 180.0° | 179.4° |
| C29 | C30 | C3 | C4 | 0.2° | 0.6° |
| C29 | C30 | C3 | C1 | 175.7° | 179.7° |
| C6 | C5 | S | C4 | 177.6° | 180.0° |
| C6 | C5 | C4 | C3 | 2.1° | 0.0° |
| C6 | C5 | C4 | H8 | 177.9° | 179.9° |
| C5 | C6 | C29 | H33 | 179.8° | 180.0° |
| S | C5 | C4 | C3 | 175.2° | 180.0° |
| S | C5 | C4 | H8 | 4.8° | 0.1° |
| C30 | C3 | C4 | C5 | 1.6° | 0.3° |
| C30 | C3 | C4 | C1 | 175.9° | 179.7° |
| C30 | C3 | C1 | C2 | 78.1° | 59.7° |
| C30 | C3 | C1 | C | 153.7° | 60.3° |
| C30 | C3 | C1 | H1 | 37.7° | 179.7° |
| C30 | C3 | C4 | H8 | 178.4° | 179.8° |
| C3 | C30 | C29 | H33 | 179.3° | 179.7° |
| C5 | C4 | C3 | H8 | 180.0° | 179.9° |
| C5 | C4 | C3 | C1 | 174.3° | 180.0° |
| C4 | C3 | C1 | C2 | 106.0° | 120.0° |
| C4 | C3 | C1 | C | 22.2° | 120.0° |
| C4 | C3 | C1 | H1 | 138.2° | 0.0° |
| C4 | C3 | C30 | H34 | 179.8° | 180.0° |
| C3 | C1 | C2 | C | 129.6° | 120.0° |
| C3 | C1 | C2 | H1 | 115.8° | 120.0° |
| C3 | C1 | C | H1 | 116.0° | 120.0° |
| C3 | C1 | C2 | H3 | 180.0° | 60.0° |
| C3 | C1 | C2 | H4 | 60.0° | 59.9° |
| C3 | C1 | C2 | H5 | 60.0° | 180.0° |
| C1 | C3 | C4 | H8 | 5.7° | 0.1° |
| C1 | C3 | C30 | H34 | 4.2° | 0.3° |
| C3 | C1 | C | H35 | 180.0° | 60.0° |
| C3 | C1 | C | H36 | 60.0° | 180.0° |
| C3 | C1 | C | H37 | 60.0° | 60.0° |
| C2 | C1 | C | H1 | 114.6° | 120.0° |
| C1 | C2 | H3 | H4 | 120.0° | 119.9° |
| C1 | C2 | H3 | H5 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 120.0° | 120.1° |
| C2 | C1 | C | H35 | 50.7° | 60.0° |
| C2 | C1 | C | H36 | 69.4° | 60.0° |
| C2 | C1 | C | H37 | 170.6° | 179.9° |
| C | C1 | C2 | H3 | 50.4° | 60.0° |
| C | C1 | C2 | H4 | 170.4° | 179.9° |
| C | C1 | C2 | H5 | 69.6° | 60.0° |
| C1 | C | H35 | H36 | 120.0° | 120.0° |
| C1 | C | H35 | H37 | 120.0° | 120.0° |
| C1 | C | H36 | H37 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 64.2° | 180.0° |
| H1 | C1 | C2 | H4 | 55.8° | 60.1° |
| H1 | C1 | C2 | H5 | 175.8° | 60.0° |
| H1 | C1 | C | H35 | 64.0° | 180.0° |
| H1 | C1 | C | H36 | 176.0° | 60.0° |
| H1 | C1 | C | H37 | 56.0° | 60.0° |
| H2 | N1 | C11 | H13 | 167.9° | 145.0° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| H6 | N2 | C12 | H14 | 48.7° | 120.0° |
| H6 | N2 | C12 | H15 | 169.0° | 120.0° |
| H9 | N4 | C9 | H12 | 174.9° | 0.0° |
| H10 | C8 | C9 | H12 | 179.6° | 65.0° |
| H11 | C8 | C9 | H12 | 61.8° | 175.1° |
| H13 | C11 | C12 | H14 | 177.7° | 175.0° |
| H13 | C11 | C12 | H15 | 62.0° | 55.1° |
| H13 | C11 | C20 | H38 | 117.9° | 180.0° |
| H16 | C14 | C15 | H18 | 166.1° | 60.0° |
| H16 | C14 | C15 | H19 | 76.4° | 180.0° |
| H17 | C14 | C15 | H18 | 46.7° | 180.0° |
| H17 | C14 | C15 | H19 | 164.2° | 60.0° |
| H20 | C16 | C17 | H22 | 176.4° | 56.9° |
| H20 | C16 | C17 | H23 | 57.0° | 177.0° |
| H21 | C16 | C17 | H22 | 56.7° | 63.3° |
| H21 | C16 | C17 | H23 | 62.7° | 56.8° |
| H24 | C18 | C19 | H26 | 177.4° | 56.9° |
| H24 | C18 | C19 | H27 | 57.7° | 177.0° |
| H25 | C18 | C19 | H26 | 58.0° | 63.2° |
| H25 | C18 | C19 | H27 | 61.6° | 56.9° |
| H28 | C27 | C28 | H30 | 59.5° | 180.0° |
| H28 | C27 | C28 | H31 | 179.5° | 60.0° |
| H28 | C27 | C28 | H32 | 60.5° | 60.0° |
| H29 | C27 | C28 | H30 | 59.4° | 60.0° |
| H29 | C27 | C28 | H31 | 60.5° | 179.9° |
| H29 | C27 | C28 | H32 | 179.5° | 60.0° |
| H30 | C28 | H31 | H32 | 120.0° | 119.9° |
| H33 | C29 | C30 | H34 | 0.7° | 0.3° |
| H35 | C | H36 | H37 | 120.0° | 120.0° |
| H38 | C20 | C25 | H39 | 170.6° | 180.0° |
| H38 | C20 | C25 | H40 | 70.3° | 60.1° |
| H38 | C20 | C21 | H47 | 169.5° | 60.1° |
| H38 | C20 | C21 | H48 | 71.1° | 180.0° |
| H39 | C25 | C24 | H41 | 172.6° | 60.0° |
| H39 | C25 | C24 | H42 | 53.4° | 180.0° |
| H40 | C25 | C24 | H41 | 53.6° | 60.0° |
| H40 | C25 | C24 | H42 | 65.7° | 60.0° |
| H41 | C24 | C23 | H43 | 53.8° | 60.0° |
| H41 | C24 | C23 | H44 | 173.3° | 60.0° |
| H42 | C24 | C23 | H43 | 65.5° | 180.0° |
| H42 | C24 | C23 | H44 | 54.0° | 60.0° |
| H43 | C23 | C22 | H45 | 55.1° | 60.0° |
| H43 | C23 | C22 | H46 | 64.3° | 179.9° |
| H44 | C23 | C22 | H45 | 174.6° | 60.0° |
| H44 | C23 | C22 | H46 | 55.1° | 59.9° |
| H45 | C22 | C21 | H47 | 175.1° | 60.0° |
| H45 | C22 | C21 | H48 | 55.8° | 60.0° |
| H46 | C22 | C21 | H47 | 55.7° | 60.0° |
| H46 | C22 | C21 | H48 | 63.6° | 180.0° |
