L4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C43 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C44 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | N13 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| N13 | C12 | sing | 1.35Å | 1.46Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | S20 | sing | 1.81Å | 1.83Å | |
| C15 | N16 | sing | 1.35Å | 1.46Å | |
| C15 | O37 | doub | 1.21Å | 1.18Å | |
| N16 | C17 | sing | 1.46Å | 1.45Å | |
| O45 | C12 | doub | 1.22Å | 1.18Å | |
| C12 | N11 | sing | 1.35Å | 1.48Å | |
| O27 | S20 | doub | 1.42Å | 1.44Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C21 | S20 | sing | 1.76Å | 1.81Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| S20 | O28 | doub | 1.42Å | 1.44Å | |
| N11 | C08 | sing | 1.47Å | 1.41Å | |
| N11 | C10 | sing | 1.47Å | 1.41Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C17 | C29 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C07 | N06 | sing | 1.47Å | 1.40Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C09 | N06 | sing | 1.47Å | 1.39Å | |
| C36 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| N06 | C05 | sing | 1.47Å | 1.26Å | |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | O03 | sing | 1.45Å | 1.41Å | |
| O03 | C02 | sing | 1.35Å | 1.41Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C02 | C46 | sing | 1.47Å | 1.55Å | |
| C55 | C46 | doub | 1.40Å | 1.38Å | Aromatic |
| C55 | C54 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| C54 | C49 | doub | 1.39Å | 1.39Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C49 | C48 | sing | 1.39Å | 1.38Å | Aromatic |
| C49 | N50 | sing | 1.39Å | 1.46Å | |
| N50 | C51 | sing | 1.38Å | 1.26Å | |
| C51 | N52 | doub | 1.30Å | 1.45Å | |
| C51 | N53 | sing | 1.37Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.08Å | 1.08Å | |
| C33 | H29 | sing | 1.08Å | 1.08Å | |
| C34 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.08Å | 1.08Å | |
| C36 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.08Å | 1.08Å | |
| C41 | H36 | sing | 1.08Å | 1.08Å | |
| C42 | H37 | sing | 1.08Å | 1.08Å | |
| C43 | H38 | sing | 1.08Å | 1.08Å | |
| C44 | H39 | sing | 1.08Å | 1.08Å | |
| C47 | H40 | sing | 1.08Å | 1.08Å | |
| C48 | H41 | sing | 1.08Å | 1.08Å | |
| C54 | H42 | sing | 1.08Å | 1.08Å | |
| C55 | H43 | sing | 1.08Å | 1.08Å | |
| N13 | H45 | sing | 0.97Å | 1.00Å | |
| N16 | H46 | sing | 0.97Å | 1.00Å | |
| N50 | H47 | sing | 0.97Å | 1.00Å | |
| N52 | H48 | sing | 0.97Å | 1.00Å | |
| N53 | H49 | sing | 0.97Å | 1.00Å | |
| N53 | H50 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | C41 | 120.2° | 120.0° |
| C42 | C43 | C44 | 119.8° | 120.0° |
| C43 | C42 | H37 | 119.9° | 120.0° |
| C42 | C43 | H38 | 120.1° | 120.0° |
| C42 | C41 | C40 | 120.0° | 120.0° |
| C42 | C41 | H36 | 120.0° | 120.0° |
| C41 | C42 | H37 | 119.9° | 120.0° |
| C43 | C44 | C39 | 120.1° | 120.0° |
| C44 | C43 | H38 | 120.1° | 120.0° |
| C43 | C44 | H39 | 119.9° | 120.0° |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | H35 | 120.0° | 120.0° |
| C40 | C41 | H36 | 120.0° | 120.0° |
| C44 | C39 | C40 | 119.9° | 120.0° |
| C44 | C39 | C38 | 120.0° | 120.0° |
| C39 | C44 | H39 | 120.0° | 120.0° |
| C40 | C39 | C38 | 120.0° | 119.9° |
| C39 | C40 | H35 | 120.0° | 120.1° |
| C39 | C38 | C14 | 111.8° | 109.5° |
| C39 | C38 | H33 | 108.9° | 109.5° |
| C39 | C38 | H34 | 108.9° | 109.5° |
| C38 | C14 | N13 | 111.0° | 109.5° |
| C38 | C14 | C15 | 110.6° | 109.5° |
| C38 | C14 | H17 | 109.8° | 109.5° |
| C14 | C38 | H33 | 108.9° | 109.4° |
| C14 | C38 | H34 | 108.9° | 109.4° |
| N13 | C14 | C15 | 105.2° | 109.4° |
| C14 | N13 | C12 | 117.7° | 120.0° |
| N13 | C14 | H17 | 110.6° | 109.5° |
| C14 | N13 | H45 | 121.2° | 120.0° |
| C14 | C15 | N16 | 119.0° | 120.0° |
| C14 | C15 | O37 | 120.5° | 120.1° |
| C15 | C14 | H17 | 109.4° | 109.5° |
| N13 | C12 | O45 | 120.3° | 120.0° |
| N13 | C12 | N11 | 119.9° | 120.0° |
| C12 | N13 | H45 | 121.2° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.0° |
| C25 | C26 | C21 | 119.5° | 120.0° |
| C25 | C26 | H6 | 120.2° | 120.0° |
| C26 | C25 | H23 | 119.9° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H5 | 120.0° | 120.0° |
| C24 | C25 | H23 | 119.9° | 120.0° |
| C26 | C21 | S20 | 120.9° | 120.0° |
| C26 | C21 | C22 | 120.6° | 120.0° |
| C21 | C26 | H6 | 120.2° | 120.0° |
| C18 | C19 | S20 | 109.4° | 109.5° |
| C19 | C18 | C17 | 113.4° | 109.5° |
| C19 | C18 | H18 | 108.5° | 109.4° |
| C19 | C18 | H19 | 108.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.4° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C19 | S20 | O27 | 112.7° | 110.6° |
| C19 | S20 | C21 | 108.6° | 104.4° |
| C19 | S20 | O28 | 111.2° | 110.5° |
| S20 | C19 | H20 | 109.5° | 109.4° |
| S20 | C19 | H21 | 109.5° | 109.5° |
| N16 | C15 | O37 | 120.4° | 119.9° |
| C15 | N16 | C17 | 118.6° | 120.0° |
| C15 | N16 | H46 | 120.7° | 120.0° |
| N16 | C17 | C18 | 109.7° | 109.5° |
| N16 | C17 | C29 | 106.0° | 109.5° |
| N16 | C17 | H3 | 110.3° | 109.5° |
| C17 | N16 | H46 | 120.7° | 120.0° |
| O45 | C12 | N11 | 119.9° | 120.1° |
| C12 | N11 | C08 | 124.9° | 120.9° |
| C12 | N11 | C10 | 125.7° | 120.9° |
| O27 | S20 | C21 | 114.9° | 104.3° |
| O27 | S20 | O28 | 101.0° | 121.1° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C23 | C24 | H5 | 120.0° | 120.0° |
| C24 | C23 | H22 | 120.0° | 120.1° |
| C18 | C17 | C29 | 112.3° | 109.5° |
| C18 | C17 | H3 | 109.2° | 109.4° |
| C17 | C18 | H18 | 108.5° | 109.5° |
| C17 | C18 | H19 | 108.5° | 109.5° |
| S20 | C21 | C22 | 118.5° | 120.0° |
| C21 | S20 | O28 | 108.1° | 104.2° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | H4 | 120.2° | 120.1° |
| C08 | N11 | C10 | 109.3° | 118.2° |
| N11 | C08 | C07 | 107.4° | 108.5° |
| N11 | C08 | H13 | 110.0° | 109.7° |
| N11 | C08 | H14 | 110.0° | 109.8° |
| N11 | C10 | C09 | 110.2° | 108.5° |
| N11 | C10 | H1 | 109.3° | 109.6° |
| N11 | C10 | H2 | 109.3° | 109.8° |
| C08 | C07 | N06 | 112.4° | 109.4° |
| C08 | C07 | H11 | 108.7° | 109.5° |
| C08 | C07 | H12 | 108.7° | 109.5° |
| C07 | C08 | H13 | 110.0° | 109.7° |
| C07 | C08 | H14 | 110.0° | 109.6° |
| C17 | C29 | C30 | 109.8° | 109.4° |
| C29 | C17 | H3 | 109.3° | 109.5° |
| C17 | C29 | H24 | 109.4° | 109.5° |
| C17 | C29 | H25 | 109.4° | 109.5° |
| C10 | C09 | N06 | 112.3° | 109.3° |
| C09 | C10 | H1 | 109.3° | 109.6° |
| C09 | C10 | H2 | 109.3° | 109.6° |
| C10 | C09 | H15 | 108.8° | 109.5° |
| C10 | C09 | H16 | 108.8° | 109.5° |
| C23 | C22 | H4 | 120.2° | 120.0° |
| C22 | C23 | H22 | 120.0° | 120.0° |
| C29 | C30 | C31 | 112.0° | 109.5° |
| C30 | C29 | H24 | 109.4° | 109.5° |
| C30 | C29 | H25 | 109.4° | 109.5° |
| C29 | C30 | H26 | 108.8° | 109.5° |
| C29 | C30 | H27 | 108.8° | 109.5° |
| C07 | N06 | C09 | 114.2° | 111.3° |
| C07 | N06 | C05 | 109.8° | 111.0° |
| N06 | C07 | H11 | 108.7° | 109.5° |
| N06 | C07 | H12 | 108.8° | 109.5° |
| C30 | C31 | C36 | 119.5° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C31 | C30 | H26 | 108.8° | 109.5° |
| C31 | C30 | H27 | 108.8° | 109.4° |
| C09 | N06 | C05 | 110.3° | 111.0° |
| N06 | C09 | H15 | 108.7° | 109.5° |
| N06 | C09 | H16 | 108.8° | 109.5° |
| C31 | C36 | C35 | 119.8° | 120.0° |
| C36 | C31 | C32 | 120.5° | 120.0° |
| C31 | C36 | H32 | 120.1° | 120.0° |
| C36 | C35 | C34 | 119.9° | 120.0° |
| C36 | C35 | H31 | 120.1° | 120.0° |
| C35 | C36 | H32 | 120.1° | 120.0° |
| N06 | C05 | C04 | 111.3° | 109.5° |
| N06 | C05 | H9 | 109.0° | 109.5° |
| N06 | C05 | H10 | 109.0° | 109.4° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C31 | C32 | H28 | 120.1° | 120.0° |
| C35 | C34 | C33 | 120.4° | 120.0° |
| C35 | C34 | H30 | 119.8° | 120.0° |
| C34 | C35 | H31 | 120.0° | 120.0° |
| C05 | C04 | O03 | 108.3° | 109.5° |
| C05 | C04 | H7 | 109.8° | 109.4° |
| C05 | C04 | H8 | 109.7° | 109.5° |
| C04 | C05 | H9 | 109.0° | 109.5° |
| C04 | C05 | H10 | 109.0° | 109.4° |
| C32 | C33 | C34 | 119.7° | 120.0° |
| C33 | C32 | H28 | 120.1° | 120.0° |
| C32 | C33 | H29 | 120.2° | 120.0° |
| C34 | C33 | H29 | 120.2° | 120.0° |
| C33 | C34 | H30 | 119.8° | 120.0° |
| C04 | O03 | C02 | 115.7° | 117.0° |
| O03 | C04 | H7 | 109.8° | 109.5° |
| O03 | C04 | H8 | 109.8° | 109.5° |
| O03 | C02 | O01 | 120.6° | 120.0° |
| O03 | C02 | C46 | 120.2° | 120.0° |
| O01 | C02 | C46 | 119.1° | 120.0° |
| C02 | C46 | C55 | 120.1° | 120.1° |
| C02 | C46 | C47 | 119.9° | 120.1° |
| C46 | C55 | C54 | 119.9° | 120.0° |
| C55 | C46 | C47 | 120.0° | 119.8° |
| C46 | C55 | H43 | 120.1° | 120.0° |
| C55 | C54 | C49 | 120.4° | 120.0° |
| C55 | C54 | H42 | 119.8° | 120.0° |
| C54 | C55 | H43 | 120.1° | 120.0° |
| C46 | C47 | C48 | 119.9° | 120.0° |
| C46 | C47 | H40 | 120.0° | 120.0° |
| C54 | C49 | C48 | 119.6° | 120.2° |
| C54 | C49 | N50 | 120.2° | 119.9° |
| C49 | C54 | H42 | 119.8° | 120.0° |
| C47 | C48 | C49 | 120.2° | 120.0° |
| C48 | C47 | H40 | 120.0° | 120.0° |
| C47 | C48 | H41 | 119.9° | 120.0° |
| C48 | C49 | N50 | 120.2° | 119.9° |
| C49 | C48 | H41 | 119.9° | 120.0° |
| C49 | N50 | C51 | 121.3° | 120.0° |
| C49 | N50 | H47 | 119.3° | 120.0° |
| N50 | C51 | N52 | 120.1° | 120.0° |
| N50 | C51 | N53 | 120.5° | 120.0° |
| C51 | N50 | H47 | 119.4° | 120.0° |
| N52 | C51 | N53 | 119.4° | 120.0° |
| C51 | N52 | H48 | 112.0° | 120.0° |
| C51 | N53 | H49 | 120.0° | 120.0° |
| C51 | N53 | H50 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H7 | C04 | H8 | 109.4° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.4° | 109.6° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H49 | N53 | H50 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | C41 | H37 | 180.0° | 179.8° |
| C42 | C43 | C44 | H38 | 180.0° | 179.8° |
| C43 | C42 | C41 | C40 | 0.1° | 0.0° |
| C42 | C43 | C44 | C39 | 0.3° | 0.5° |
| C43 | C42 | C41 | H36 | 179.9° | 180.0° |
| C42 | C43 | C44 | H39 | 179.7° | 180.0° |
| C41 | C42 | C43 | C44 | 0.1° | 0.2° |
| C42 | C41 | C40 | H36 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.2° | 0.0° |
| C42 | C41 | C40 | H35 | 179.8° | 179.9° |
| C41 | C42 | C43 | H38 | 179.9° | 180.0° |
| C43 | C44 | C39 | H39 | 180.0° | 179.5° |
| C43 | C44 | C39 | C40 | 0.5° | 0.6° |
| C43 | C44 | C39 | C38 | 179.8° | 179.7° |
| C44 | C43 | C42 | H37 | 179.9° | 180.0° |
| C41 | C40 | C39 | C44 | 0.4° | 0.3° |
| C41 | C40 | C39 | H35 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 179.8° | 179.9° |
| C40 | C41 | C42 | H37 | 179.9° | 179.8° |
| C44 | C39 | C40 | C38 | 179.7° | 179.7° |
| C44 | C39 | C38 | C14 | 70.9° | 90.2° |
| C44 | C39 | C38 | H33 | 49.5° | 149.8° |
| C44 | C39 | C38 | H34 | 168.8° | 29.7° |
| C44 | C39 | C40 | H35 | 179.6° | 179.7° |
| C39 | C44 | C43 | H38 | 179.7° | 179.7° |
| C40 | C39 | C38 | C14 | 108.9° | 90.0° |
| C40 | C39 | C38 | H33 | 130.8° | 30.0° |
| C40 | C39 | C38 | H34 | 11.5° | 150.0° |
| C39 | C40 | C41 | H36 | 179.8° | 180.0° |
| C40 | C39 | C44 | H39 | 179.5° | 180.0° |
| C39 | C38 | C14 | H33 | 120.3° | 120.0° |
| C39 | C38 | C14 | H34 | 120.4° | 120.0° |
| C39 | C38 | C14 | N13 | 76.2° | 65.0° |
| C39 | C38 | C14 | C15 | 167.4° | 175.0° |
| C39 | C38 | C14 | H17 | 46.5° | 55.0° |
| C39 | C38 | H33 | H34 | 119.0° | 120.0° |
| C38 | C39 | C40 | H35 | 0.2° | 0.0° |
| C38 | C39 | C44 | H39 | 0.2° | 0.2° |
| C38 | C14 | N13 | C15 | 119.7° | 120.0° |
| C38 | C14 | N13 | H17 | 122.2° | 120.0° |
| C38 | C14 | C15 | H17 | 121.1° | 120.0° |
| C38 | C14 | N13 | C12 | 160.0° | 85.0° |
| C38 | C14 | C15 | N16 | 117.4° | 60.0° |
| C38 | C14 | C15 | O37 | 64.0° | 120.0° |
| C14 | C38 | H33 | H34 | 118.9° | 119.9° |
| C38 | C14 | N13 | H45 | 20.0° | 95.0° |
| N13 | C14 | C15 | H17 | 118.9° | 120.0° |
| C14 | N13 | C12 | H45 | 180.0° | 180.0° |
| N13 | C14 | C15 | N16 | 122.7° | 180.0° |
| N13 | C14 | C15 | O37 | 55.9° | 0.0° |
| C14 | N13 | C12 | O45 | 0.7° | 4.6° |
| C14 | N13 | C12 | N11 | 179.8° | 175.5° |
| N13 | C14 | C38 | H33 | 163.4° | 55.0° |
| N13 | C14 | C38 | H34 | 44.1° | 175.0° |
| C15 | C14 | N13 | C12 | 80.3° | 155.0° |
| C14 | C15 | N16 | O37 | 178.6° | 179.9° |
| C14 | C15 | N16 | C17 | 178.8° | 180.0° |
| C15 | C14 | C38 | H33 | 47.0° | 65.0° |
| C15 | C14 | C38 | H34 | 72.3° | 55.0° |
| C15 | C14 | N13 | H45 | 99.7° | 25.0° |
| C14 | C15 | N16 | H46 | 1.2° | 0.1° |
| N13 | C12 | O45 | N11 | 179.1° | 180.0° |
| N13 | C12 | N11 | C08 | 2.4° | 5.0° |
| N13 | C12 | N11 | C10 | 179.7° | 175.0° |
| C12 | N13 | C14 | H17 | 37.8° | 35.0° |
| C26 | C25 | C24 | H23 | 180.0° | 180.0° |
| C25 | C26 | C21 | H6 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.4° |
| C25 | C26 | C21 | S20 | 179.6° | 180.0° |
| C25 | C26 | C21 | C22 | 0.5° | 0.2° |
| C26 | C25 | C24 | H5 | 179.9° | 180.0° |
| C24 | C25 | C26 | C21 | 0.4° | 0.0° |
| C25 | C24 | C23 | H5 | 180.0° | 179.7° |
| C25 | C24 | C23 | C22 | 0.4° | 0.4° |
| C24 | C25 | C26 | H6 | 179.7° | 179.9° |
| C25 | C24 | C23 | H22 | 179.6° | 180.0° |
| C26 | C21 | S20 | C19 | 80.9° | 90.3° |
| C26 | C21 | S20 | O27 | 46.3° | 25.8° |
| C26 | C21 | S20 | C22 | 179.2° | 179.7° |
| C26 | C21 | S20 | O28 | 158.2° | 153.7° |
| C26 | C21 | C22 | C23 | 0.2° | 0.2° |
| C26 | C21 | C22 | H4 | 179.8° | 179.7° |
| C21 | C26 | C25 | H23 | 179.6° | 180.0° |
| C18 | C19 | S20 | H20 | 120.0° | 119.9° |
| C18 | C19 | S20 | H21 | 120.0° | 120.0° |
| C19 | C18 | C17 | N16 | 58.8° | 65.0° |
| C18 | C19 | S20 | O27 | 100.1° | 68.3° |
| C19 | C18 | C17 | H18 | 120.6° | 120.0° |
| C19 | C18 | C17 | H19 | 120.6° | 120.1° |
| C18 | C19 | S20 | C21 | 131.4° | 180.0° |
| C18 | C19 | S20 | O28 | 12.6° | 68.5° |
| C19 | C18 | C17 | C29 | 58.7° | 175.0° |
| C19 | C18 | C17 | H3 | 179.9° | 55.0° |
| C19 | C18 | H18 | H19 | 118.2° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C19 | S20 | O27 | C21 | 125.1° | 111.7° |
| C19 | S20 | O27 | O28 | 118.8° | 131.5° |
| S20 | C19 | C18 | C17 | 103.5° | 180.0° |
| C19 | S20 | C21 | O28 | 120.8° | 116.0° |
| C19 | S20 | C21 | C22 | 98.2° | 90.0° |
| S20 | C19 | C18 | H18 | 17.1° | 60.0° |
| S20 | C19 | C18 | H19 | 135.9° | 59.9° |
| S20 | C19 | H20 | H21 | 120.0° | 120.0° |
| C15 | N16 | C17 | H46 | 180.0° | 179.9° |
| C15 | N16 | C17 | C18 | 116.0° | 155.0° |
| C15 | N16 | C17 | C29 | 122.5° | 85.0° |
| C15 | N16 | C17 | H3 | 4.3° | 35.0° |
| N16 | C15 | C14 | H17 | 3.8° | 60.0° |
| O37 | C15 | N16 | C17 | 0.2° | 0.1° |
| O37 | C15 | C14 | H17 | 174.8° | 119.9° |
| O37 | C15 | N16 | H46 | 179.8° | 180.0° |
| N16 | C17 | C18 | C29 | 117.6° | 120.0° |
| N16 | C17 | C18 | H3 | 121.0° | 120.0° |
| N16 | C17 | C29 | H3 | 118.9° | 120.0° |
| N16 | C17 | C29 | C30 | 65.2° | 65.0° |
| N16 | C17 | C18 | H18 | 179.4° | 175.0° |
| N16 | C17 | C18 | H19 | 61.7° | 55.1° |
| N16 | C17 | C29 | H24 | 54.9° | 55.0° |
| N16 | C17 | C29 | H25 | 174.8° | 175.0° |
| O45 | C12 | N11 | C08 | 178.6° | 174.9° |
| O45 | C12 | N11 | C10 | 1.2° | 5.1° |
| O45 | C12 | N13 | H45 | 179.2° | 175.4° |
| C12 | N11 | C08 | C10 | 177.7° | 180.0° |
| C12 | N11 | C08 | C07 | 114.1° | 128.8° |
| C12 | N11 | C10 | C09 | 115.9° | 128.8° |
| C12 | N11 | C10 | H1 | 124.0° | 9.1° |
| C12 | N11 | C10 | H2 | 4.3° | 111.4° |
| C12 | N11 | C08 | H13 | 5.6° | 111.5° |
| C12 | N11 | C08 | H14 | 126.2° | 8.9° |
| N11 | C12 | N13 | H45 | 0.1° | 4.6° |
| O27 | S20 | C21 | O28 | 112.0° | 127.9° |
| O27 | S20 | C21 | C22 | 134.6° | 153.9° |
| O27 | S20 | C19 | H20 | 139.9° | 51.6° |
| O27 | S20 | C19 | H21 | 19.9° | 171.7° |
| C24 | C23 | C22 | C21 | 0.3° | 0.1° |
| C24 | C23 | C22 | H22 | 180.0° | 179.6° |
| C24 | C23 | C22 | H4 | 179.8° | 180.0° |
| C23 | C24 | C25 | H23 | 179.9° | 179.7° |
| C18 | C17 | C29 | H3 | 121.3° | 120.0° |
| C18 | C17 | C29 | C30 | 175.1° | 175.0° |
| C17 | C18 | H18 | H19 | 118.2° | 120.0° |
| C17 | C18 | C19 | H20 | 16.4° | 60.1° |
| C17 | C18 | C19 | H21 | 136.5° | 60.0° |
| C18 | C17 | C29 | H24 | 64.8° | 65.0° |
| C18 | C17 | C29 | H25 | 55.1° | 55.0° |
| C18 | C17 | N16 | H46 | 64.0° | 24.9° |
| S20 | C21 | C22 | C23 | 179.3° | 180.0° |
| S20 | C21 | C22 | H4 | 0.6° | 0.0° |
| S20 | C21 | C26 | H6 | 0.4° | 0.0° |
| C21 | S20 | C19 | H20 | 11.5° | 60.0° |
| C21 | S20 | C19 | H21 | 108.6° | 60.0° |
| C22 | C21 | S20 | O28 | 22.6° | 26.1° |
| C21 | C22 | C23 | H4 | 180.0° | 179.9° |
| C22 | C21 | C26 | H6 | 179.5° | 179.8° |
| C21 | C22 | C23 | H22 | 179.7° | 179.7° |
| O28 | S20 | C19 | H20 | 107.4° | 171.6° |
| O28 | S20 | C19 | H21 | 132.5° | 51.6° |
| N11 | C08 | C07 | H13 | 119.7° | 119.8° |
| N11 | C08 | C07 | H14 | 119.7° | 119.9° |
| C08 | N11 | C10 | C09 | 61.9° | 51.2° |
| N11 | C08 | C07 | N06 | 57.9° | 53.9° |
| C08 | N11 | C10 | H1 | 58.3° | 170.9° |
| C08 | N11 | C10 | H2 | 178.0° | 68.6° |
| N11 | C08 | C07 | H11 | 62.5° | 66.1° |
| N11 | C08 | C07 | H12 | 178.4° | 173.8° |
| N11 | C08 | H13 | H14 | 121.0° | 120.5° |
| C10 | N11 | C08 | C07 | 63.7° | 51.2° |
| N11 | C10 | C09 | H1 | 120.1° | 119.7° |
| N11 | C10 | C09 | H2 | 120.1° | 119.9° |
| N11 | C10 | C09 | N06 | 52.1° | 53.8° |
| N11 | C10 | H1 | H2 | 119.7° | 120.6° |
| C10 | N11 | C08 | H13 | 176.6° | 68.6° |
| C10 | N11 | C08 | H14 | 56.0° | 171.0° |
| N11 | C10 | C09 | H15 | 172.5° | 173.8° |
| N11 | C10 | C09 | H16 | 68.3° | 66.1° |
| C08 | C07 | N06 | H11 | 120.4° | 120.0° |
| C08 | C07 | N06 | H12 | 120.4° | 120.0° |
| C08 | C07 | N06 | C09 | 50.4° | 63.1° |
| C08 | C07 | N06 | C05 | 174.9° | 172.7° |
| C08 | C07 | H11 | H12 | 118.6° | 120.1° |
| C07 | C08 | H13 | H14 | 121.0° | 120.4° |
| C17 | C29 | C30 | H24 | 120.0° | 120.0° |
| C17 | C29 | C30 | H25 | 120.0° | 120.0° |
| C17 | C29 | C30 | C31 | 172.0° | 180.0° |
| C29 | C17 | C18 | H18 | 61.9° | 55.0° |
| C29 | C17 | C18 | H19 | 179.3° | 64.9° |
| C17 | C29 | H24 | H25 | 119.8° | 120.0° |
| C17 | C29 | C30 | H26 | 67.6° | 60.0° |
| C17 | C29 | C30 | H27 | 51.7° | 60.0° |
| C29 | C17 | N16 | H46 | 57.5° | 95.0° |
| C10 | C09 | N06 | C07 | 46.9° | 63.1° |
| C10 | C09 | N06 | H15 | 120.4° | 120.0° |
| C10 | C09 | N06 | H16 | 120.4° | 119.9° |
| C10 | C09 | N06 | C05 | 171.1° | 172.8° |
| C09 | C10 | H1 | H2 | 119.7° | 120.4° |
| C10 | C09 | H15 | H16 | 118.7° | 120.1° |
| C22 | C23 | C24 | H5 | 179.6° | 180.0° |
| C29 | C30 | C31 | H26 | 120.4° | 120.0° |
| C29 | C30 | C31 | H27 | 120.4° | 120.0° |
| C29 | C30 | C31 | C36 | 119.6° | 90.3° |
| C29 | C30 | C31 | C32 | 60.3° | 90.0° |
| C30 | C29 | C17 | H3 | 53.8° | 55.0° |
| C30 | C29 | H24 | H25 | 119.9° | 120.0° |
| C29 | C30 | H26 | H27 | 118.9° | 120.1° |
| C07 | N06 | C09 | C05 | 124.2° | 124.2° |
| C07 | N06 | C05 | C04 | 169.6° | 75.7° |
| C07 | N06 | C05 | H9 | 70.1° | 44.3° |
| C07 | N06 | C05 | H10 | 49.3° | 164.3° |
| N06 | C07 | H11 | H12 | 118.7° | 120.0° |
| N06 | C07 | C08 | H13 | 177.6° | 65.9° |
| N06 | C07 | C08 | H14 | 61.8° | 173.8° |
| C07 | N06 | C09 | H15 | 167.3° | 176.9° |
| C07 | N06 | C09 | H16 | 73.6° | 56.8° |
| C30 | C31 | C36 | C32 | 179.9° | 179.7° |
| C30 | C31 | C36 | C35 | 179.9° | 179.7° |
| C30 | C31 | C32 | C33 | 179.9° | 180.0° |
| C31 | C30 | C29 | H24 | 52.0° | 60.0° |
| C31 | C30 | C29 | H25 | 68.0° | 60.0° |
| C31 | C30 | H26 | H27 | 118.8° | 119.9° |
| C30 | C31 | C32 | H28 | 0.1° | 0.0° |
| C30 | C31 | C36 | H32 | 0.1° | 0.0° |
| C09 | N06 | C05 | C04 | 63.7° | 160.0° |
| N06 | C09 | C10 | H1 | 68.0° | 173.5° |
| N06 | C09 | C10 | H2 | 172.2° | 66.1° |
| C09 | N06 | C05 | H9 | 56.6° | 80.0° |
| C09 | N06 | C05 | H10 | 176.0° | 40.0° |
| C09 | N06 | C07 | H11 | 70.1° | 56.9° |
| C09 | N06 | C07 | H12 | 170.8° | 176.9° |
| N06 | C09 | H15 | H16 | 118.7° | 120.0° |
| C31 | C36 | C35 | H32 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 0.2° | 0.5° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C36 | C31 | C30 | H26 | 120.0° | 149.7° |
| C36 | C31 | C30 | H27 | 0.7° | 29.8° |
| C36 | C31 | C32 | H28 | 179.9° | 179.7° |
| C31 | C36 | C35 | H31 | 179.8° | 179.7° |
| C35 | C36 | C31 | C32 | 0.1° | 0.6° |
| C36 | C35 | C34 | H31 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 0.4° | 0.2° |
| C36 | C35 | C34 | H30 | 179.6° | 179.8° |
| N06 | C05 | C04 | H9 | 120.3° | 120.0° |
| N06 | C05 | C04 | H10 | 120.3° | 120.0° |
| N06 | C05 | C04 | O03 | 126.9° | 63.6° |
| N06 | C05 | C04 | H7 | 113.3° | 176.4° |
| N06 | C05 | C04 | H8 | 7.1° | 56.4° |
| N06 | C05 | H9 | H10 | 119.2° | 120.0° |
| C05 | N06 | C07 | H11 | 54.4° | 67.3° |
| C05 | N06 | C07 | H12 | 64.7° | 52.8° |
| C05 | N06 | C09 | H15 | 68.5° | 52.8° |
| C05 | N06 | C09 | H16 | 50.6° | 67.3° |
| C31 | C32 | C33 | H28 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.2° | 0.1° |
| C32 | C31 | C30 | H26 | 60.1° | 30.0° |
| C32 | C31 | C30 | H27 | 179.3° | 149.9° |
| C31 | C32 | C33 | H29 | 179.8° | 180.0° |
| C32 | C31 | C36 | H32 | 179.9° | 179.7° |
| C35 | C34 | C33 | C32 | 0.3° | 0.0° |
| C35 | C34 | C33 | H30 | 180.0° | 180.0° |
| C35 | C34 | C33 | H29 | 179.7° | 180.0° |
| C34 | C35 | C36 | H32 | 179.8° | 179.8° |
| C05 | C04 | O03 | H7 | 119.8° | 120.0° |
| C05 | C04 | O03 | H8 | 119.8° | 120.0° |
| C05 | C04 | O03 | C02 | 133.7° | 180.0° |
| C05 | C04 | H7 | H8 | 120.5° | 120.0° |
| C04 | C05 | H9 | H10 | 119.2° | 120.0° |
| C32 | C33 | C34 | H29 | 180.0° | 179.9° |
| C32 | C33 | C34 | H30 | 179.6° | 180.0° |
| C34 | C33 | C32 | H28 | 179.8° | 180.0° |
| C33 | C34 | C35 | H31 | 179.6° | 180.0° |
| C04 | O03 | C02 | O01 | 29.5° | 0.0° |
| C04 | O03 | C02 | C46 | 151.1° | 180.0° |
| O03 | C04 | H7 | H8 | 120.6° | 120.0° |
| O03 | C04 | C05 | H9 | 6.6° | 176.4° |
| O03 | C04 | C05 | H10 | 112.8° | 56.3° |
| O03 | C02 | O01 | C46 | 179.3° | 180.0° |
| O03 | C02 | C46 | C55 | 37.4° | 0.3° |
| O03 | C02 | C46 | C47 | 142.4° | 180.0° |
| C02 | O03 | C04 | H7 | 106.5° | 60.0° |
| C02 | O03 | C04 | H8 | 13.9° | 60.0° |
| O01 | C02 | C46 | C55 | 143.2° | 179.7° |
| O01 | C02 | C46 | C47 | 37.0° | 0.0° |
| C02 | C46 | C55 | C47 | 179.8° | 179.7° |
| C02 | C46 | C55 | C54 | 179.9° | 179.7° |
| C02 | C46 | C47 | C48 | 180.0° | 180.0° |
| C02 | C46 | C47 | H40 | 0.0° | 0.1° |
| C02 | C46 | C55 | H43 | 0.1° | 0.1° |
| C46 | C55 | C54 | H43 | 180.0° | 179.6° |
| C46 | C55 | C54 | C49 | 0.1° | 0.6° |
| C55 | C46 | C47 | C48 | 0.2° | 0.3° |
| C55 | C46 | C47 | H40 | 179.8° | 179.7° |
| C46 | C55 | C54 | H42 | 179.9° | 179.6° |
| C54 | C55 | C46 | C47 | 0.1° | 0.6° |
| C55 | C54 | C49 | H42 | 180.0° | 179.8° |
| C55 | C54 | C49 | C48 | 0.2° | 0.3° |
| C55 | C54 | C49 | N50 | 179.9° | 179.7° |
| C46 | C47 | C48 | H40 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.3° | 0.0° |
| C46 | C47 | C48 | H41 | 179.7° | 180.0° |
| C47 | C46 | C55 | H43 | 179.9° | 179.7° |
| C54 | C49 | C48 | C47 | 0.3° | 0.1° |
| C54 | C49 | C48 | N50 | 179.8° | 180.0° |
| C54 | C49 | N50 | C51 | 76.2° | 146.0° |
| C54 | C49 | C48 | H41 | 179.8° | 180.0° |
| C49 | C54 | C55 | H43 | 179.9° | 179.7° |
| C54 | C49 | N50 | H47 | 103.8° | 34.0° |
| C47 | C48 | C49 | H41 | 180.0° | 179.9° |
| C47 | C48 | C49 | N50 | 180.0° | 180.0° |
| C48 | C49 | N50 | C51 | 104.0° | 34.0° |
| C49 | C48 | C47 | H40 | 179.7° | 179.9° |
| C48 | C49 | C54 | H42 | 179.8° | 179.9° |
| C48 | C49 | N50 | H47 | 76.0° | 146.0° |
| C49 | N50 | C51 | H47 | 180.0° | 180.0° |
| C49 | N50 | C51 | N52 | 179.9° | 5.8° |
| C49 | N50 | C51 | N53 | 0.2° | 174.2° |
| N50 | C49 | C48 | H41 | 0.0° | 0.0° |
| N50 | C49 | C54 | H42 | 0.0° | 0.1° |
| N50 | C51 | N52 | N53 | 179.9° | 180.0° |
| N50 | C51 | N52 | H48 | 179.9° | 180.0° |
| N50 | C51 | N53 | H49 | 179.9° | 179.9° |
| N50 | C51 | N53 | H50 | 0.1° | 0.0° |
| N52 | C51 | N50 | H47 | 0.2° | 174.3° |
| N52 | C51 | N53 | H49 | 0.0° | 0.1° |
| N52 | C51 | N53 | H50 | 180.0° | 180.0° |
| N53 | C51 | N50 | H47 | 179.8° | 5.8° |
| N53 | C51 | N52 | H48 | 0.0° | 0.1° |
| C51 | N53 | H49 | H50 | 180.0° | 179.9° |
| H1 | C10 | C09 | H15 | 52.4° | 66.5° |
| H1 | C10 | C09 | H16 | 171.5° | 53.6° |
| H2 | C10 | C09 | H15 | 67.4° | 53.9° |
| H2 | C10 | C09 | H16 | 51.8° | 174.0° |
| H3 | C17 | C18 | H18 | 59.5° | 65.0° |
| H3 | C17 | C18 | H19 | 59.3° | 175.1° |
| H3 | C17 | C29 | H24 | 173.8° | 175.0° |
| H3 | C17 | C29 | H25 | 66.3° | 64.9° |
| H3 | C17 | N16 | H46 | 175.7° | 144.9° |
| H4 | C22 | C23 | H22 | 0.2° | 0.4° |
| H5 | C24 | C23 | H22 | 0.4° | 0.3° |
| H5 | C24 | C25 | H23 | 0.1° | 0.0° |
| H6 | C26 | C25 | H23 | 0.4° | 0.0° |
| H7 | C04 | C05 | H9 | 126.5° | 56.4° |
| H7 | C04 | C05 | H10 | 7.0° | 63.7° |
| H8 | C04 | C05 | H9 | 113.2° | 63.6° |
| H8 | C04 | C05 | H10 | 127.3° | 176.3° |
| H11 | C07 | C08 | H13 | 57.2° | 174.1° |
| H11 | C07 | C08 | H14 | 177.8° | 53.8° |
| H12 | C07 | C08 | H13 | 61.9° | 54.0° |
| H12 | C07 | C08 | H14 | 58.7° | 66.3° |
| H17 | C14 | C38 | H33 | 73.9° | 175.0° |
| H17 | C14 | C38 | H34 | 166.8° | 65.0° |
| H17 | C14 | N13 | H45 | 142.2° | 145.0° |
| H18 | C18 | C19 | H20 | 137.0° | 180.0° |
| H18 | C18 | C19 | H21 | 102.9° | 60.0° |
| H19 | C18 | C19 | H20 | 104.1° | 60.0° |
| H19 | C18 | C19 | H21 | 15.9° | 180.0° |
| H24 | C29 | C30 | H26 | 172.3° | 180.0° |
| H24 | C29 | C30 | H27 | 68.4° | 59.9° |
| H25 | C29 | C30 | H26 | 52.4° | 60.0° |
| H25 | C29 | C30 | H27 | 171.7° | 180.0° |
| H28 | C32 | C33 | H29 | 0.2° | 0.1° |
| H29 | C33 | C34 | H30 | 0.4° | 0.0° |
| H30 | C34 | C35 | H31 | 0.4° | 0.0° |
| H31 | C35 | C36 | H32 | 0.2° | 0.0° |
| H35 | C40 | C41 | H36 | 0.3° | 0.0° |
| H36 | C41 | C42 | H37 | 0.1° | 0.2° |
| H37 | C42 | C43 | H38 | 0.2° | 0.2° |
| H38 | C43 | C44 | H39 | 0.3° | 0.2° |
| H40 | C47 | C48 | H41 | 0.3° | 0.0° |
| H42 | C54 | C55 | H43 | 0.1° | 0.0° |
