8FP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C68 | C65 | sing | 1.51Å | 1.54Å | |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.41Å | Aromatic |
| C65 | N64 | sing | 1.32Å | 1.33Å | Aromatic |
| C65 | C66 | doub | 1.34Å | 1.33Å | Aromatic |
| N64 | C63 | doub | 1.29Å | 1.30Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C69 | C70 | sing | 1.55Å | 1.51Å | |
| C69 | C61 | sing | 1.55Å | 1.52Å | |
| C70 | C62 | sing | 1.54Å | 1.52Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| O39 | C2 | sing | 1.36Å | 1.36Å | |
| O39 | C40 | sing | 1.43Å | 1.41Å | |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C66 | S67 | sing | 1.76Å | 1.75Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.54Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.49Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C63 | C62 | sing | 1.51Å | 1.50Å | |
| C63 | S67 | sing | 1.71Å | 1.74Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.77Å | |
| C62 | N60 | sing | 1.47Å | 1.47Å | |
| C61 | N60 | sing | 1.47Å | 1.45Å | |
| C32 | C19 | sing | 1.53Å | 1.54Å | |
| S8 | O10 | doub | 1.42Å | 1.46Å | |
| S8 | N11 | sing | 1.66Å | 1.66Å | |
| N60 | C58 | sing | 1.35Å | 1.31Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | N11 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| N11 | C12 | sing | 1.46Å | 1.43Å | |
| C58 | O59 | doub | 1.22Å | 1.23Å | |
| C58 | C55 | sing | 1.48Å | 1.53Å | |
| N20 | C21 | sing | 1.35Å | 1.34Å | |
| C56 | C55 | doub | 1.39Å | 1.40Å | Aromatic |
| C56 | C51 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | O18 | sing | 1.43Å | 1.46Å | |
| C21 | O22 | doub | 1.22Å | 1.18Å | |
| C21 | C51 | sing | 1.48Å | 1.54Å | |
| C55 | C54 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C51 | C52 | doub | 1.40Å | 1.39Å | Aromatic |
| C54 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C52 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | H1 | sing | 1.09Å | 1.10Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C52 | H30 | sing | 1.08Å | 1.08Å | |
| C53 | H31 | sing | 1.08Å | 1.08Å | |
| C54 | H32 | sing | 1.08Å | 1.08Å | |
| C56 | H33 | sing | 1.08Å | 1.08Å | |
| C61 | H34 | sing | 1.09Å | 1.10Å | |
| C61 | H35 | sing | 1.09Å | 1.10Å | |
| C69 | H36 | sing | 1.09Å | 1.10Å | |
| C69 | H37 | sing | 1.09Å | 1.10Å | |
| C70 | H38 | sing | 1.09Å | 1.10Å | |
| C70 | H39 | sing | 1.09Å | 1.10Å | |
| C62 | H40 | sing | 1.09Å | 1.10Å | |
| C66 | H41 | sing | 1.08Å | 1.08Å | |
| C68 | H42 | sing | 1.09Å | 1.10Å | |
| C68 | H43 | sing | 1.09Å | 1.10Å | |
| C68 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C68 | C65 | N64 | 120.2° | 122.7° |
| C68 | C65 | C66 | 120.8° | 122.7° |
| C65 | C68 | H42 | 109.5° | 109.5° |
| C65 | C68 | H43 | 109.5° | 109.5° |
| C65 | C68 | H44 | 109.5° | 109.5° |
| C36 | C35 | C34 | 119.8° | 120.0° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C36 | C35 | H27 | 120.1° | 120.0° |
| C35 | C36 | H28 | 120.3° | 119.9° |
| C35 | C34 | C33 | 120.5° | 120.0° |
| C35 | C34 | H26 | 119.8° | 120.1° |
| C34 | C35 | H27 | 120.1° | 120.0° |
| C36 | C37 | C38 | 119.7° | 120.0° |
| C37 | C36 | H28 | 120.3° | 120.1° |
| C36 | C37 | H29 | 120.2° | 120.0° |
| N64 | C65 | C66 | 117.6° | 114.5° |
| C65 | N64 | C63 | 118.0° | 117.1° |
| C65 | C66 | S67 | 104.4° | 107.9° |
| C65 | C66 | H41 | 127.8° | 126.0° |
| N64 | C63 | C62 | 131.1° | 124.9° |
| N64 | C63 | S67 | 105.6° | 110.2° |
| C34 | C33 | C38 | 118.5° | 120.0° |
| C34 | C33 | H25 | 120.7° | 120.0° |
| C33 | C34 | H26 | 119.8° | 119.9° |
| C37 | C38 | C33 | 121.9° | 120.0° |
| C37 | C38 | C32 | 120.3° | 120.0° |
| C38 | C37 | H29 | 120.2° | 120.0° |
| C70 | C69 | C61 | 105.4° | 101.6° |
| C69 | C70 | C62 | 105.5° | 102.8° |
| C70 | C69 | H36 | 110.5° | 111.0° |
| C70 | C69 | H37 | 110.5° | 111.0° |
| C69 | C70 | H38 | 110.5° | 110.8° |
| C69 | C70 | H39 | 110.4° | 110.7° |
| C69 | C61 | N60 | 105.9° | 104.9° |
| C69 | C61 | H34 | 110.3° | 110.4° |
| C69 | C61 | H35 | 110.4° | 110.5° |
| C61 | C69 | H36 | 110.5° | 110.8° |
| C61 | C69 | H37 | 110.5° | 111.2° |
| C70 | C62 | C63 | 112.6° | 109.9° |
| C70 | C62 | N60 | 104.9° | 107.3° |
| C62 | C70 | H38 | 110.4° | 110.9° |
| C62 | C70 | H39 | 110.5° | 110.6° |
| C70 | C62 | H40 | 109.6° | 109.8° |
| C6 | C7 | C2 | 123.2° | 119.9° |
| C7 | C6 | C5 | 118.1° | 120.1° |
| C7 | C6 | H6 | 121.0° | 120.0° |
| C6 | C7 | H7 | 118.4° | 120.0° |
| C7 | C2 | O39 | 116.7° | 120.0° |
| C7 | C2 | C3 | 119.6° | 119.9° |
| C2 | C7 | H7 | 118.4° | 120.1° |
| C2 | O39 | C40 | 112.4° | 117.0° |
| O39 | C2 | C3 | 123.7° | 120.1° |
| O39 | C40 | H1 | 109.5° | 109.5° |
| O39 | C40 | H2 | 109.4° | 109.5° |
| O39 | C40 | H3 | 109.4° | 109.5° |
| C33 | C38 | C32 | 117.9° | 120.0° |
| C38 | C33 | H25 | 120.7° | 120.0° |
| C66 | S67 | C63 | 94.2° | 90.3° |
| S67 | C66 | H41 | 127.8° | 126.0° |
| C38 | C32 | C19 | 109.8° | 109.5° |
| C38 | C32 | H23 | 109.4° | 109.5° |
| C38 | C32 | H24 | 109.4° | 109.5° |
| C6 | C5 | C4 | 119.4° | 120.1° |
| C6 | C5 | S8 | 119.2° | 119.9° |
| C5 | C6 | H6 | 121.0° | 120.0° |
| O9 | S8 | C5 | 108.2° | 106.4° |
| O9 | S8 | O10 | 117.4° | 123.2° |
| O9 | S8 | N11 | 108.7° | 106.4° |
| C2 | C3 | C4 | 117.3° | 120.0° |
| C2 | C3 | H4 | 121.3° | 120.0° |
| C62 | C63 | S67 | 123.3° | 124.9° |
| C63 | C62 | N60 | 109.4° | 109.6° |
| C63 | C62 | H40 | 109.9° | 110.0° |
| C3 | C4 | C5 | 122.1° | 120.1° |
| C4 | C3 | H4 | 121.4° | 120.0° |
| C3 | C4 | H5 | 119.0° | 120.0° |
| C4 | C5 | S8 | 121.3° | 120.0° |
| C5 | C4 | H5 | 119.0° | 120.0° |
| C5 | S8 | O10 | 108.3° | 106.3° |
| C5 | S8 | N11 | 105.1° | 107.2° |
| C62 | N60 | C61 | 111.7° | 108.7° |
| C62 | N60 | C58 | 118.8° | 125.6° |
| N60 | C62 | H40 | 110.3° | 110.2° |
| C61 | N60 | C58 | 125.0° | 125.7° |
| N60 | C61 | H34 | 110.4° | 110.4° |
| N60 | C61 | H35 | 110.4° | 110.4° |
| C32 | C19 | N20 | 106.9° | 109.5° |
| C32 | C19 | C17 | 113.5° | 109.5° |
| C32 | C19 | H21 | 108.4° | 109.5° |
| C19 | C32 | H23 | 109.4° | 109.5° |
| C19 | C32 | H24 | 109.4° | 109.5° |
| O10 | S8 | N11 | 108.4° | 106.4° |
| S8 | N11 | C16 | 115.6° | 120.0° |
| S8 | N11 | C12 | 115.8° | 120.0° |
| N60 | C58 | O59 | 119.7° | 120.1° |
| N60 | C58 | C55 | 121.1° | 120.0° |
| N20 | C19 | C17 | 110.5° | 109.4° |
| C19 | N20 | C21 | 122.0° | 120.0° |
| N20 | C19 | H21 | 109.2° | 109.4° |
| C19 | N20 | H22 | 119.0° | 120.0° |
| C19 | C17 | C16 | 111.8° | 109.5° |
| C19 | C17 | O18 | 110.6° | 109.5° |
| C19 | C17 | H19 | 108.8° | 109.5° |
| C17 | C19 | H21 | 108.4° | 109.5° |
| N11 | C16 | C17 | 109.6° | 109.5° |
| C16 | N11 | C12 | 122.2° | 120.0° |
| N11 | C16 | H17 | 109.5° | 109.5° |
| N11 | C16 | H18 | 109.4° | 109.5° |
| C16 | C17 | O18 | 106.8° | 109.5° |
| C17 | C16 | H17 | 109.4° | 109.5° |
| C17 | C16 | H18 | 109.4° | 109.5° |
| C16 | C17 | H19 | 108.7° | 109.5° |
| N11 | C12 | C13 | 116.6° | 109.5° |
| N11 | C12 | H8 | 107.7° | 109.5° |
| N11 | C12 | H9 | 107.7° | 109.5° |
| O59 | C58 | C55 | 117.7° | 119.9° |
| C58 | C55 | C56 | 115.6° | 120.1° |
| C58 | C55 | C54 | 121.4° | 120.0° |
| N20 | C21 | O22 | 130.4° | 120.0° |
| N20 | C21 | C51 | 114.7° | 119.9° |
| C21 | N20 | H22 | 119.0° | 120.0° |
| C55 | C56 | C51 | 118.7° | 119.7° |
| C56 | C55 | C54 | 122.2° | 119.9° |
| C55 | C56 | H33 | 120.6° | 120.2° |
| C56 | C51 | C21 | 118.5° | 120.1° |
| C56 | C51 | C52 | 119.9° | 119.8° |
| C51 | C56 | H33 | 120.7° | 120.1° |
| O18 | C17 | H19 | 110.0° | 109.4° |
| C17 | O18 | H20 | 109.5° | 114.0° |
| O22 | C21 | C51 | 114.9° | 120.0° |
| C21 | C51 | C52 | 121.6° | 120.1° |
| C55 | C54 | C53 | 117.5° | 120.1° |
| C55 | C54 | H32 | 121.3° | 120.0° |
| C12 | C13 | C14 | 109.9° | 109.5° |
| C12 | C13 | C15 | 106.8° | 109.5° |
| C13 | C12 | H8 | 107.6° | 109.5° |
| C13 | C12 | H9 | 107.7° | 109.5° |
| C12 | C13 | H10 | 110.0° | 109.5° |
| C51 | C52 | C53 | 120.4° | 120.2° |
| C51 | C52 | H30 | 119.8° | 119.9° |
| C54 | C53 | C52 | 121.0° | 120.3° |
| C54 | C53 | H31 | 119.5° | 119.8° |
| C53 | C54 | H32 | 121.3° | 119.9° |
| C14 | C13 | C15 | 109.3° | 109.5° |
| C14 | C13 | H10 | 110.5° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| C15 | C13 | H10 | 110.2° | 109.4° |
| C13 | C15 | H14 | 109.5° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H16 | 109.5° | 109.4° |
| C53 | C52 | H30 | 119.8° | 119.9° |
| C52 | C53 | H31 | 119.5° | 119.9° |
| H1 | C40 | H2 | 109.5° | 109.4° |
| H1 | C40 | H3 | 109.5° | 109.5° |
| H2 | C40 | H3 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H23 | C32 | H24 | 109.5° | 109.4° |
| H34 | C61 | H35 | 109.5° | 110.3° |
| H36 | C69 | H37 | 109.5° | 110.9° |
| H38 | C70 | H39 | 109.5° | 110.8° |
| H42 | C68 | H43 | 109.5° | 109.5° |
| H42 | C68 | H44 | 109.5° | 109.4° |
| H43 | C68 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C68 | C65 | N64 | C66 | 166.5° | 179.9° |
| C68 | C65 | N64 | C63 | 171.4° | 180.0° |
| C68 | C65 | C66 | S67 | 172.4° | 179.8° |
| C68 | C65 | C66 | H41 | 7.6° | 0.0° |
| C65 | C68 | H42 | H43 | 120.0° | 120.1° |
| C65 | C68 | H42 | H44 | 120.0° | 119.9° |
| C65 | C68 | H43 | H44 | 120.0° | 120.0° |
| C36 | C35 | C34 | H27 | 180.0° | 180.0° |
| C35 | C36 | C37 | H28 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 4.6° | 0.0° |
| C35 | C36 | C37 | C38 | 2.9° | 0.0° |
| C36 | C35 | C34 | H26 | 175.4° | 180.0° |
| C35 | C36 | C37 | H29 | 177.2° | 179.9° |
| C34 | C35 | C36 | C37 | 5.9° | 0.0° |
| C35 | C34 | C33 | H26 | 180.0° | 179.9° |
| C35 | C34 | C33 | C38 | 0.2° | 0.1° |
| C35 | C34 | C33 | H25 | 179.8° | 179.8° |
| C34 | C35 | C36 | H28 | 174.1° | 180.0° |
| C36 | C37 | C38 | H29 | 180.0° | 179.9° |
| C36 | C37 | C38 | C33 | 1.6° | 0.1° |
| C36 | C37 | C38 | C32 | 177.2° | 179.7° |
| C37 | C36 | C35 | H27 | 174.1° | 180.0° |
| N64 | C65 | C66 | S67 | 6.0° | 0.3° |
| C65 | N64 | C63 | C62 | 176.4° | 179.9° |
| C65 | N64 | C63 | S67 | 0.8° | 0.2° |
| N64 | C65 | C66 | H41 | 174.0° | 180.0° |
| N64 | C65 | C68 | H42 | 0.0° | 90.0° |
| N64 | C65 | C68 | H43 | 120.0° | 149.9° |
| N64 | C65 | C68 | H44 | 120.0° | 29.9° |
| C66 | C65 | N64 | C63 | 4.9° | 0.1° |
| C65 | C66 | S67 | H41 | 180.0° | 179.7° |
| C65 | C66 | S67 | C63 | 4.5° | 0.3° |
| C66 | C65 | C68 | H42 | 166.0° | 90.1° |
| C66 | C65 | C68 | H43 | 46.0° | 30.0° |
| C66 | C65 | C68 | H44 | 73.9° | 150.0° |
| N64 | C63 | C62 | C70 | 15.9° | 106.7° |
| N64 | C63 | S67 | C66 | 2.2° | 0.3° |
| N64 | C63 | C62 | S67 | 176.8° | 179.7° |
| N64 | C63 | C62 | N60 | 132.1° | 135.7° |
| N64 | C63 | C62 | H40 | 106.7° | 14.3° |
| C34 | C33 | C38 | C37 | 2.9° | 0.1° |
| C34 | C33 | C38 | H25 | 180.0° | 179.7° |
| C34 | C33 | C38 | C32 | 175.9° | 179.7° |
| C33 | C34 | C35 | H27 | 175.4° | 179.9° |
| C37 | C38 | C33 | C32 | 178.8° | 179.8° |
| C37 | C38 | C32 | C19 | 67.4° | 90.2° |
| C37 | C38 | C32 | H23 | 52.7° | 149.8° |
| C37 | C38 | C32 | H24 | 172.6° | 29.8° |
| C37 | C38 | C33 | H25 | 177.1° | 179.8° |
| C38 | C37 | C36 | H28 | 177.2° | 180.0° |
| C70 | C69 | C61 | H36 | 119.3° | 118.0° |
| C70 | C69 | C61 | H37 | 119.4° | 118.1° |
| C69 | C70 | C62 | H38 | 119.4° | 118.4° |
| C69 | C70 | C62 | H39 | 119.3° | 118.3° |
| C69 | C70 | C62 | C63 | 97.3° | 141.6° |
| C69 | C70 | C62 | N60 | 21.5° | 22.5° |
| C70 | C69 | C61 | N60 | 20.7° | 37.0° |
| C70 | C69 | C61 | H34 | 98.7° | 81.9° |
| C70 | C69 | C61 | H35 | 140.2° | 155.9° |
| C70 | C69 | H36 | H37 | 121.9° | 123.9° |
| C69 | C70 | H38 | H39 | 121.8° | 123.3° |
| C69 | C70 | C62 | H40 | 140.0° | 97.2° |
| C61 | C69 | C70 | C62 | 26.1° | 35.7° |
| C69 | C61 | N60 | C62 | 7.4° | 23.9° |
| C69 | C61 | N60 | H34 | 119.4° | 118.9° |
| C69 | C61 | N60 | H35 | 119.4° | 119.0° |
| C69 | C61 | N60 | C58 | 163.3° | 155.8° |
| C69 | C61 | H34 | H35 | 121.6° | 122.3° |
| C61 | C69 | H36 | H37 | 121.9° | 124.0° |
| C61 | C69 | C70 | H38 | 145.4° | 82.8° |
| C61 | C69 | C70 | H39 | 93.3° | 153.8° |
| C70 | C62 | C63 | N60 | 116.2° | 117.7° |
| C70 | C62 | C63 | H40 | 122.5° | 121.0° |
| C70 | C62 | C63 | S67 | 160.9° | 73.6° |
| C70 | C62 | N60 | H40 | 118.0° | 119.5° |
| C70 | C62 | N60 | C61 | 8.9° | 0.7° |
| C70 | C62 | N60 | C58 | 148.7° | 179.0° |
| C62 | C70 | C69 | H36 | 145.4° | 153.6° |
| C62 | C70 | C69 | H37 | 93.3° | 82.6° |
| C62 | C70 | H38 | H39 | 121.9° | 123.2° |
| C6 | C7 | C2 | H7 | 180.0° | 179.5° |
| C6 | C7 | C2 | O39 | 175.4° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.8° |
| C6 | C7 | C2 | C3 | 4.3° | 0.5° |
| C7 | C6 | C5 | C4 | 4.2° | 0.2° |
| C7 | C6 | C5 | S8 | 179.6° | 179.8° |
| C7 | C2 | O39 | C3 | 179.7° | 179.8° |
| C7 | C2 | O39 | C40 | 179.5° | 0.3° |
| C2 | C7 | C6 | C5 | 1.5° | 0.5° |
| C7 | C2 | C3 | C4 | 1.3° | 0.2° |
| C7 | C2 | C3 | H4 | 178.7° | 179.7° |
| C2 | C7 | C6 | H6 | 178.5° | 179.7° |
| O39 | C2 | C3 | C4 | 178.4° | 179.9° |
| C2 | O39 | C40 | H1 | 180.0° | 180.0° |
| C2 | O39 | C40 | H2 | 60.0° | 60.1° |
| C2 | O39 | C40 | H3 | 60.0° | 60.0° |
| O39 | C2 | C3 | H4 | 1.5° | 0.0° |
| O39 | C2 | C7 | H7 | 4.6° | 0.3° |
| C40 | O39 | C2 | C3 | 0.3° | 180.0° |
| O39 | C40 | H1 | H2 | 120.0° | 120.0° |
| O39 | C40 | H1 | H3 | 120.0° | 120.0° |
| O39 | C40 | H2 | H3 | 119.9° | 120.0° |
| C33 | C38 | C32 | C19 | 111.4° | 90.0° |
| C33 | C38 | C32 | H23 | 128.5° | 30.0° |
| C33 | C38 | C32 | H24 | 8.6° | 150.0° |
| C38 | C33 | C34 | H26 | 179.8° | 180.0° |
| C33 | C38 | C37 | H29 | 178.4° | 180.0° |
| C66 | S67 | C63 | C62 | 179.7° | 180.0° |
| C38 | C32 | C19 | H23 | 120.1° | 120.0° |
| C38 | C32 | C19 | H24 | 120.0° | 120.0° |
| C38 | C32 | C19 | N20 | 58.5° | 65.0° |
| C38 | C32 | C19 | C17 | 179.5° | 175.0° |
| C38 | C32 | C19 | H21 | 59.1° | 54.9° |
| C38 | C32 | H23 | H24 | 119.9° | 120.0° |
| C32 | C38 | C33 | H25 | 4.1° | 0.0° |
| C32 | C38 | C37 | H29 | 2.8° | 0.2° |
| C6 | C5 | S8 | O9 | 28.9° | 23.6° |
| C6 | C5 | C4 | C3 | 7.3° | 0.1° |
| C6 | C5 | C4 | S8 | 176.1° | 180.0° |
| C6 | C5 | S8 | O10 | 157.1° | 156.5° |
| C6 | C5 | S8 | N11 | 87.1° | 90.0° |
| C6 | C5 | C4 | H5 | 172.8° | 180.0° |
| C5 | C6 | C7 | H7 | 178.5° | 180.0° |
| O9 | S8 | C5 | C4 | 147.2° | 156.5° |
| O9 | S8 | C5 | O10 | 128.2° | 132.9° |
| O9 | S8 | C5 | N11 | 116.1° | 113.6° |
| O9 | S8 | O10 | N11 | 123.6° | 123.0° |
| O9 | S8 | N11 | C16 | 23.4° | 156.5° |
| O9 | S8 | N11 | C12 | 176.0° | 23.5° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 4.4° | 0.1° |
| C2 | C3 | C4 | H5 | 175.6° | 180.0° |
| C3 | C2 | C7 | H7 | 175.7° | 180.0° |
| C63 | C62 | N60 | H40 | 121.0° | 121.2° |
| C63 | C62 | N60 | C61 | 112.2° | 118.6° |
| C63 | C62 | N60 | C58 | 90.3° | 61.7° |
| C63 | C62 | C70 | H38 | 22.0° | 23.2° |
| C63 | C62 | C70 | H39 | 143.3° | 100.1° |
| S67 | C63 | C62 | N60 | 44.7° | 44.0° |
| S67 | C63 | C62 | H40 | 76.6° | 165.4° |
| C63 | S67 | C66 | H41 | 175.5° | 179.9° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | S8 | 176.6° | 179.9° |
| C4 | C5 | S8 | O10 | 19.0° | 23.5° |
| C4 | C5 | S8 | N11 | 96.7° | 90.0° |
| C5 | C4 | C3 | H4 | 175.6° | 180.0° |
| C4 | C5 | C6 | H6 | 175.8° | 180.0° |
| C5 | S8 | O10 | N11 | 113.6° | 114.1° |
| C5 | S8 | N11 | C16 | 92.3° | 90.0° |
| C5 | S8 | N11 | C12 | 60.3° | 90.1° |
| S8 | C5 | C4 | H5 | 3.4° | 0.0° |
| S8 | C5 | C6 | H6 | 0.4° | 0.0° |
| C62 | N60 | C61 | C58 | 155.9° | 179.7° |
| C62 | N60 | C58 | O59 | 10.3° | 4.5° |
| C62 | N60 | C58 | C55 | 175.9° | 175.5° |
| C62 | N60 | C61 | H34 | 112.0° | 94.9° |
| C62 | N60 | C61 | H35 | 126.8° | 142.9° |
| N60 | C62 | C70 | H38 | 140.9° | 95.9° |
| N60 | C62 | C70 | H39 | 97.8° | 140.8° |
| C61 | N60 | C58 | O59 | 164.6° | 175.2° |
| C61 | N60 | C58 | C55 | 29.7° | 4.9° |
| N60 | C61 | H34 | H35 | 121.7° | 122.2° |
| N60 | C61 | C69 | H36 | 140.1° | 155.0° |
| N60 | C61 | C69 | H37 | 98.6° | 81.1° |
| C61 | N60 | C62 | H40 | 126.8° | 120.2° |
| C32 | C19 | N20 | C17 | 123.9° | 120.0° |
| C32 | C19 | N20 | H21 | 117.1° | 120.0° |
| C32 | C19 | C17 | H21 | 120.4° | 120.1° |
| C32 | C19 | C17 | C16 | 68.8° | 65.0° |
| C32 | C19 | N20 | C21 | 137.5° | 85.0° |
| C32 | C19 | C17 | O18 | 50.1° | 55.0° |
| C32 | C19 | C17 | H19 | 171.1° | 175.0° |
| C32 | C19 | N20 | H22 | 42.6° | 95.0° |
| C19 | C32 | H23 | H24 | 119.8° | 120.0° |
| O10 | S8 | N11 | C16 | 152.0° | 23.5° |
| O10 | S8 | N11 | C12 | 55.4° | 156.5° |
| S8 | N11 | C16 | C12 | 150.7° | 180.0° |
| S8 | N11 | C16 | C17 | 113.4° | 93.6° |
| S8 | N11 | C12 | C13 | 136.9° | 93.1° |
| S8 | N11 | C12 | H8 | 15.9° | 146.9° |
| S8 | N11 | C12 | H9 | 102.0° | 26.9° |
| S8 | N11 | C16 | H17 | 126.6° | 146.3° |
| S8 | N11 | C16 | H18 | 6.6° | 26.4° |
| N60 | C58 | O59 | C55 | 166.1° | 180.0° |
| N60 | C58 | C55 | C56 | 53.2° | 159.1° |
| N60 | C58 | C55 | C54 | 136.6° | 20.6° |
| C58 | N60 | C61 | H34 | 43.9° | 85.4° |
| C58 | N60 | C61 | H35 | 77.3° | 36.8° |
| C58 | N60 | C62 | H40 | 30.8° | 59.5° |
| N20 | C19 | C17 | H21 | 119.6° | 120.0° |
| N20 | C19 | C17 | C16 | 171.2° | 175.0° |
| C19 | N20 | C21 | H22 | 180.0° | 180.0° |
| N20 | C19 | C17 | O18 | 69.9° | 65.0° |
| C19 | N20 | C21 | O22 | 5.0° | 0.0° |
| C19 | N20 | C21 | C51 | 176.6° | 180.0° |
| N20 | C19 | C17 | H19 | 51.1° | 55.0° |
| N20 | C19 | C32 | H23 | 178.6° | 55.0° |
| N20 | C19 | C32 | H24 | 61.5° | 175.0° |
| C19 | C17 | C16 | N11 | 76.2° | 175.0° |
| C19 | C17 | C16 | O18 | 121.1° | 120.0° |
| C19 | C17 | C16 | H19 | 120.2° | 120.1° |
| C17 | C19 | N20 | C21 | 98.7° | 155.0° |
| C19 | C17 | O18 | H19 | 120.3° | 120.1° |
| C19 | C17 | C16 | H17 | 163.8° | 65.0° |
| C19 | C17 | C16 | H18 | 43.8° | 55.0° |
| C19 | C17 | O18 | H20 | 180.0° | 60.0° |
| C17 | C19 | N20 | H22 | 81.3° | 25.0° |
| C17 | C19 | C32 | H23 | 59.4° | 64.9° |
| C17 | C19 | C32 | H24 | 60.5° | 55.0° |
| N11 | C16 | C17 | H17 | 120.0° | 120.0° |
| N11 | C16 | C17 | H18 | 120.0° | 120.0° |
| N11 | C16 | C17 | O18 | 162.7° | 65.0° |
| C16 | N11 | C12 | C13 | 72.4° | 86.9° |
| C16 | N11 | C12 | H8 | 166.6° | 33.1° |
| C16 | N11 | C12 | H9 | 48.7° | 153.1° |
| N11 | C16 | H17 | H18 | 120.0° | 120.0° |
| N11 | C16 | C17 | H19 | 44.0° | 54.9° |
| C17 | C16 | N11 | C12 | 95.9° | 86.4° |
| C16 | C17 | O18 | H19 | 117.9° | 119.9° |
| C17 | C16 | H17 | H18 | 119.9° | 120.0° |
| C16 | C17 | O18 | H20 | 58.2° | 60.0° |
| C16 | C17 | C19 | H21 | 51.6° | 55.1° |
| N11 | C12 | C13 | H8 | 121.0° | 120.0° |
| N11 | C12 | C13 | H9 | 121.1° | 120.0° |
| N11 | C12 | C13 | C14 | 68.7° | 63.4° |
| N11 | C12 | C13 | C15 | 172.8° | 176.5° |
| N11 | C12 | H8 | H9 | 116.8° | 120.0° |
| N11 | C12 | C13 | H10 | 53.2° | 56.6° |
| C12 | N11 | C16 | H17 | 24.1° | 33.6° |
| C12 | N11 | C16 | H18 | 144.1° | 153.6° |
| O59 | C58 | C55 | C56 | 112.8° | 20.9° |
| O59 | C58 | C55 | C54 | 57.5° | 159.4° |
| C58 | C55 | C56 | C54 | 170.2° | 179.7° |
| C58 | C55 | C56 | C51 | 176.3° | 179.7° |
| C58 | C55 | C54 | C53 | 174.5° | 180.0° |
| C58 | C55 | C54 | H32 | 5.5° | 0.1° |
| C58 | C55 | C56 | H33 | 3.7° | 0.3° |
| N20 | C21 | C51 | C56 | 47.6° | 179.7° |
| N20 | C21 | O22 | C51 | 178.4° | 180.0° |
| N20 | C21 | C51 | C52 | 131.1° | 0.0° |
| C21 | N20 | C19 | H21 | 20.4° | 35.0° |
| C55 | C56 | C51 | H33 | 180.0° | 179.4° |
| C55 | C56 | C51 | C21 | 177.7° | 179.7° |
| C55 | C56 | C51 | C52 | 3.7° | 0.5° |
| C56 | C55 | C54 | C53 | 4.9° | 0.3° |
| C56 | C55 | C54 | H32 | 175.1° | 179.8° |
| C56 | C51 | C21 | O22 | 133.8° | 0.3° |
| C56 | C51 | C21 | C52 | 178.7° | 179.7° |
| C51 | C56 | C55 | C54 | 6.1° | 0.5° |
| C56 | C51 | C52 | C53 | 0.3° | 0.3° |
| C56 | C51 | C52 | H30 | 179.8° | 179.8° |
| O18 | C17 | C16 | H17 | 42.7° | 55.0° |
| O18 | C17 | C16 | H18 | 77.3° | 175.0° |
| O18 | C17 | C19 | H21 | 170.5° | 175.0° |
| O22 | C21 | C51 | C52 | 47.6° | 180.0° |
| O22 | C21 | N20 | H22 | 175.0° | 180.0° |
| C21 | C51 | C52 | C53 | 178.9° | 180.0° |
| C51 | C21 | N20 | H22 | 3.4° | 0.0° |
| C21 | C51 | C52 | H30 | 1.1° | 0.0° |
| C21 | C51 | C56 | H33 | 2.4° | 0.3° |
| C55 | C54 | C53 | H32 | 180.0° | 179.9° |
| C55 | C54 | C53 | C52 | 1.3° | 0.0° |
| C55 | C54 | C53 | H31 | 178.7° | 180.0° |
| C54 | C55 | C56 | H33 | 173.9° | 180.0° |
| C12 | C13 | C14 | C15 | 117.0° | 120.0° |
| C12 | C13 | C14 | H10 | 121.5° | 120.1° |
| C12 | C13 | C15 | H10 | 119.5° | 120.0° |
| C13 | C12 | H8 | H9 | 116.8° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 51.9° |
| C12 | C13 | C14 | H12 | 60.0° | 171.9° |
| C12 | C13 | C14 | H13 | 60.0° | 68.1° |
| C12 | C13 | C15 | H14 | 180.0° | 60.0° |
| C12 | C13 | C15 | H15 | 60.0° | 180.0° |
| C12 | C13 | C15 | H16 | 60.0° | 60.0° |
| C51 | C52 | C53 | C54 | 0.9° | 0.0° |
| C51 | C52 | C53 | H30 | 180.0° | 180.0° |
| C51 | C52 | C53 | H31 | 179.0° | 180.0° |
| C52 | C51 | C56 | H33 | 176.3° | 179.9° |
| C54 | C53 | C52 | H31 | 180.0° | 180.0° |
| C54 | C53 | C52 | H30 | 179.1° | 180.0° |
| C14 | C13 | C15 | H10 | 121.7° | 120.0° |
| C14 | C13 | C12 | H8 | 52.3° | 56.6° |
| C14 | C13 | C12 | H9 | 170.2° | 176.6° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C15 | H14 | 61.1° | 180.0° |
| C14 | C13 | C15 | H15 | 58.9° | 60.0° |
| C14 | C13 | C15 | H16 | 178.9° | 60.0° |
| C15 | C13 | C12 | H8 | 66.2° | 63.4° |
| C15 | C13 | C12 | H9 | 51.8° | 56.6° |
| C15 | C13 | C14 | H11 | 63.0° | 68.1° |
| C15 | C13 | C14 | H12 | 177.0° | 51.9° |
| C15 | C13 | C14 | H13 | 57.0° | 171.9° |
| C13 | C15 | H14 | H15 | 120.0° | 120.0° |
| C13 | C15 | H14 | H16 | 120.0° | 119.9° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| C52 | C53 | C54 | H32 | 178.7° | 179.9° |
| H1 | C40 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 4.4° | 0.1° |
| H6 | C6 | C7 | H7 | 1.6° | 0.2° |
| H8 | C12 | C13 | H10 | 174.2° | 176.6° |
| H9 | C12 | C13 | H10 | 67.9° | 63.4° |
| H10 | C13 | C14 | H11 | 58.5° | 172.0° |
| H10 | C13 | C14 | H12 | 61.5° | 68.1° |
| H10 | C13 | C14 | H13 | 178.5° | 51.9° |
| H10 | C13 | C15 | H14 | 60.5° | 60.0° |
| H10 | C13 | C15 | H15 | 179.4° | 60.0° |
| H10 | C13 | C15 | H16 | 59.5° | 180.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.1° |
| H14 | C15 | H15 | H16 | 120.0° | 120.1° |
| H17 | C16 | C17 | H19 | 76.1° | 174.9° |
| H18 | C16 | C17 | H19 | 164.0° | 65.1° |
| H19 | C17 | O18 | H20 | 59.7° | 180.0° |
| H19 | C17 | C19 | H21 | 68.5° | 65.0° |
| H21 | C19 | N20 | H22 | 159.6° | 145.0° |
| H21 | C19 | C32 | H23 | 61.0° | 175.0° |
| H21 | C19 | C32 | H24 | 179.1° | 65.1° |
| H25 | C33 | C34 | H26 | 0.3° | 0.3° |
| H26 | C34 | C35 | H27 | 4.6° | 0.0° |
| H27 | C35 | C36 | H28 | 5.9° | 0.0° |
| H28 | C36 | C37 | H29 | 2.8° | 0.1° |
| H30 | C52 | C53 | H31 | 1.0° | 0.1° |
| H31 | C53 | C54 | H32 | 1.3° | 0.1° |
| H34 | C61 | C69 | H36 | 20.6° | 36.1° |
| H34 | C61 | C69 | H37 | 141.9° | 160.0° |
| H35 | C61 | C69 | H36 | 100.5° | 86.1° |
| H35 | C61 | C69 | H37 | 20.8° | 37.8° |
| H36 | C69 | C70 | H38 | 95.2° | 35.0° |
| H36 | C69 | C70 | H39 | 26.1° | 88.3° |
| H37 | C69 | C70 | H38 | 26.1° | 158.9° |
| H37 | C69 | C70 | H39 | 147.4° | 35.5° |
| H38 | C70 | C62 | H40 | 100.7° | 144.3° |
| H39 | C70 | C62 | H40 | 20.6° | 21.0° |
| H42 | C68 | H43 | H44 | 120.0° | 119.9° |
