OJL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | O37 | sing | 1.43Å | 1.42Å | |
| O37 | C31 | sing | 1.36Å | 1.38Å | |
| C31 | C32 | doub | 1.37Å | 1.37Å | Aromatic |
| C31 | C28 | sing | 1.40Å | 1.43Å | Aromatic |
| C32 | C33 | sing | 1.40Å | 1.43Å | Aromatic |
| O29 | C28 | sing | 1.36Å | 1.37Å | |
| O29 | C30 | sing | 1.43Å | 1.42Å | |
| C28 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C33 | N34 | doub | 1.34Å | 1.39Å | Aromatic |
| C33 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| N34 | C35 | sing | 1.31Å | 1.33Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.41Å | 1.47Å | Aromatic |
| C35 | N36 | doub | 1.32Å | 1.39Å | Aromatic |
| C25 | N36 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | O24 | sing | 1.35Å | 1.37Å | |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| O24 | C19 | sing | 1.36Å | 1.40Å | |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C23 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.48Å | 1.55Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C15 | N14 | sing | 1.35Å | 1.44Å | |
| N14 | C13 | sing | 1.40Å | 1.48Å | |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C39 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| F44 | C41 | sing | 1.40Å | 1.34Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C41 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | F43 | sing | 1.40Å | 1.34Å | |
| C41 | F42 | sing | 1.40Å | 1.35Å | |
| C40 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | N06 | sing | 1.47Å | 1.48Å | |
| C07 | N06 | sing | 1.47Å | 1.49Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.49Å | |
| C08 | N03 | sing | 1.47Å | 1.49Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.47Å | 1.49Å | |
| N03 | C02 | sing | 1.47Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| N14 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | O37 | C31 | 116.8° | 117.0° |
| O37 | C38 | H29 | 109.5° | 109.5° |
| O37 | C38 | H30 | 109.5° | 109.5° |
| O37 | C38 | H31 | 109.5° | 109.5° |
| O37 | C31 | C32 | 121.5° | 119.5° |
| O37 | C31 | C28 | 120.7° | 119.6° |
| C32 | C31 | C28 | 117.8° | 120.9° |
| C31 | C32 | C33 | 120.6° | 119.6° |
| C31 | C32 | H27 | 119.7° | 120.2° |
| C31 | C28 | O29 | 118.9° | 119.6° |
| C31 | C28 | C27 | 121.2° | 120.8° |
| C32 | C33 | N34 | 115.0° | 121.8° |
| C32 | C33 | C26 | 122.5° | 119.5° |
| C33 | C32 | H27 | 119.7° | 120.2° |
| C28 | O29 | C30 | 116.3° | 117.0° |
| O29 | C28 | C27 | 119.8° | 119.6° |
| O29 | C30 | H24 | 109.5° | 109.5° |
| O29 | C30 | H25 | 109.4° | 109.5° |
| O29 | C30 | H26 | 109.5° | 109.5° |
| C28 | C27 | C26 | 123.1° | 119.5° |
| C28 | C27 | H23 | 118.4° | 120.3° |
| N34 | C33 | C26 | 122.4° | 118.7° |
| C33 | N34 | C35 | 115.5° | 120.4° |
| C33 | C26 | C27 | 114.8° | 119.8° |
| C33 | C26 | C25 | 115.7° | 118.2° |
| N34 | C35 | N36 | 127.8° | 122.9° |
| N34 | C35 | H28 | 116.1° | 118.6° |
| C27 | C26 | C25 | 129.5° | 122.0° |
| C26 | C27 | H23 | 118.5° | 120.2° |
| C26 | C25 | N36 | 121.4° | 118.3° |
| C26 | C25 | O24 | 124.5° | 120.9° |
| C35 | N36 | C25 | 117.0° | 121.6° |
| N36 | C35 | H28 | 116.1° | 118.5° |
| N36 | C25 | O24 | 114.1° | 120.9° |
| C25 | O24 | C19 | 122.8° | 118.0° |
| C21 | C20 | C19 | 124.3° | 119.9° |
| C21 | C20 | C22 | 119.1° | 119.8° |
| C20 | C21 | H3 | 109.5° | 109.5° |
| C20 | C21 | H4 | 109.5° | 109.5° |
| C20 | C21 | H5 | 109.5° | 109.4° |
| O24 | C19 | C20 | 117.2° | 120.0° |
| O24 | C19 | C18 | 123.6° | 120.0° |
| C19 | C20 | C22 | 116.7° | 120.3° |
| C20 | C19 | C18 | 119.2° | 120.0° |
| C20 | C22 | C23 | 123.5° | 120.2° |
| C20 | C22 | H21 | 118.2° | 120.0° |
| C19 | C18 | C17 | 124.2° | 119.8° |
| C19 | C18 | H2 | 117.9° | 120.1° |
| C22 | C23 | C17 | 122.1° | 120.0° |
| C23 | C22 | H21 | 118.3° | 119.8° |
| C22 | C23 | H22 | 118.9° | 120.1° |
| C18 | C17 | C23 | 114.3° | 119.7° |
| C18 | C17 | C15 | 123.0° | 120.1° |
| C17 | C18 | H2 | 117.9° | 120.1° |
| C23 | C17 | C15 | 122.7° | 120.1° |
| C17 | C23 | H22 | 118.9° | 120.0° |
| C17 | C15 | O16 | 116.3° | 120.0° |
| C17 | C15 | N14 | 126.9° | 120.0° |
| O16 | C15 | N14 | 116.8° | 120.0° |
| C15 | N14 | C13 | 130.3° | 120.0° |
| C15 | N14 | H36 | 114.8° | 120.0° |
| N14 | C13 | C12 | 124.3° | 120.1° |
| N14 | C13 | C39 | 122.4° | 120.1° |
| C13 | N14 | H36 | 114.8° | 120.0° |
| C12 | C13 | C39 | 113.3° | 119.8° |
| C13 | C12 | C11 | 123.8° | 120.0° |
| C13 | C12 | H1 | 118.1° | 120.0° |
| C13 | C39 | C40 | 123.1° | 119.9° |
| C13 | C39 | H32 | 118.5° | 120.0° |
| C12 | C11 | C41 | 120.3° | 120.0° |
| C12 | C11 | C10 | 121.8° | 120.1° |
| C11 | C12 | H1 | 118.1° | 120.0° |
| F44 | C41 | C11 | 114.4° | 109.5° |
| F44 | C41 | F43 | 104.7° | 109.5° |
| F44 | C41 | F42 | 103.0° | 109.5° |
| C39 | C40 | C10 | 123.0° | 120.1° |
| C40 | C39 | H32 | 118.5° | 120.1° |
| C39 | C40 | H33 | 118.5° | 119.9° |
| C41 | C11 | C10 | 117.9° | 119.9° |
| C11 | C41 | F43 | 114.1° | 109.5° |
| C11 | C41 | F42 | 115.1° | 109.5° |
| C11 | C10 | C40 | 115.0° | 120.1° |
| C11 | C10 | C09 | 121.8° | 119.9° |
| F43 | C41 | F42 | 104.3° | 109.5° |
| C40 | C10 | C09 | 123.1° | 119.9° |
| C10 | C40 | H33 | 118.5° | 120.0° |
| C10 | C09 | N06 | 111.5° | 109.4° |
| C10 | C09 | H19 | 109.0° | 109.4° |
| C10 | C09 | H20 | 109.0° | 109.5° |
| C09 | N06 | C07 | 108.7° | 111.0° |
| C09 | N06 | C05 | 109.6° | 110.9° |
| N06 | C09 | H19 | 109.0° | 109.5° |
| N06 | C09 | H20 | 108.9° | 109.5° |
| N06 | C07 | C08 | 109.4° | 109.3° |
| C07 | N06 | C05 | 109.0° | 110.9° |
| N06 | C07 | H15 | 109.5° | 109.5° |
| N06 | C07 | H16 | 109.5° | 109.5° |
| C07 | C08 | N03 | 110.1° | 109.4° |
| C08 | C07 | H15 | 109.5° | 109.5° |
| C08 | C07 | H16 | 109.5° | 109.5° |
| C07 | C08 | H17 | 109.3° | 109.5° |
| C07 | C08 | H18 | 109.3° | 109.5° |
| N06 | C05 | C04 | 108.6° | 109.4° |
| N06 | C05 | H13 | 109.7° | 109.5° |
| N06 | C05 | H14 | 109.7° | 109.5° |
| C08 | N03 | C04 | 111.5° | 110.9° |
| C08 | N03 | C02 | 108.3° | 111.0° |
| N03 | C08 | H17 | 109.3° | 109.5° |
| N03 | C08 | H18 | 109.3° | 109.5° |
| C05 | C04 | N03 | 110.4° | 109.4° |
| C05 | C04 | H11 | 109.3° | 109.5° |
| C05 | C04 | H12 | 109.3° | 109.5° |
| C04 | C05 | H13 | 109.7° | 109.5° |
| C04 | C05 | H14 | 109.7° | 109.4° |
| C04 | N03 | C02 | 108.4° | 111.0° |
| N03 | C04 | H11 | 109.2° | 109.5° |
| N03 | C04 | H12 | 109.2° | 109.4° |
| N03 | C02 | C01 | 106.8° | 109.5° |
| N03 | C02 | H9 | 110.1° | 109.5° |
| N03 | C02 | H10 | 110.1° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.4° |
| C01 | C02 | H9 | 110.2° | 109.4° |
| C01 | C02 | H10 | 110.1° | 109.4° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H3 | C21 | H5 | 109.4° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.4° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| H19 | C09 | H20 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H24 | C30 | H26 | 109.5° | 109.4° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H29 | C38 | H30 | 109.4° | 109.4° |
| H29 | C38 | H31 | 109.5° | 109.4° |
| H30 | C38 | H31 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | O37 | C31 | C32 | 72.2° | 0.0° |
| C38 | O37 | C31 | C28 | 107.5° | 180.0° |
| O37 | C38 | H29 | H30 | 120.0° | 120.0° |
| O37 | C38 | H29 | H31 | 120.0° | 120.1° |
| O37 | C38 | H30 | H31 | 120.0° | 120.1° |
| O37 | C31 | C32 | C28 | 179.8° | 179.9° |
| O37 | C31 | C32 | C33 | 179.9° | 180.0° |
| O37 | C31 | C28 | O29 | 0.2° | 0.0° |
| O37 | C31 | C28 | C27 | 179.9° | 180.0° |
| O37 | C31 | C32 | H27 | 0.1° | 0.1° |
| C31 | O37 | C38 | H29 | 180.0° | 180.0° |
| C31 | O37 | C38 | H30 | 60.0° | 60.0° |
| C31 | O37 | C38 | H31 | 60.0° | 60.0° |
| C31 | C32 | C33 | H27 | 180.0° | 179.9° |
| C32 | C31 | C28 | O29 | 180.0° | 179.9° |
| C32 | C31 | C28 | C27 | 0.1° | 0.1° |
| C31 | C32 | C33 | N34 | 180.0° | 180.0° |
| C31 | C32 | C33 | C26 | 0.0° | 0.1° |
| C28 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C28 | O29 | C27 | 179.9° | 180.0° |
| C31 | C28 | O29 | C30 | 141.0° | 180.0° |
| C31 | C28 | C27 | C26 | 0.0° | 0.0° |
| C31 | C28 | C27 | H23 | 180.0° | 179.9° |
| C28 | C31 | C32 | H27 | 179.9° | 180.0° |
| C32 | C33 | N34 | C26 | 180.0° | 179.9° |
| C32 | C33 | N34 | C35 | 179.9° | 180.0° |
| C32 | C33 | C26 | C27 | 0.1° | 0.0° |
| C32 | C33 | C26 | C25 | 180.0° | 179.9° |
| O29 | C28 | C27 | C26 | 179.9° | 180.0° |
| O29 | C28 | C27 | H23 | 0.1° | 0.1° |
| C28 | O29 | C30 | H24 | 180.0° | 60.1° |
| C28 | O29 | C30 | H25 | 60.0° | 60.0° |
| C28 | O29 | C30 | H26 | 60.0° | 179.9° |
| C30 | O29 | C28 | C27 | 38.9° | 0.0° |
| O29 | C30 | H24 | H25 | 120.0° | 120.0° |
| O29 | C30 | H24 | H26 | 120.0° | 120.0° |
| O29 | C30 | H25 | H26 | 120.0° | 120.1° |
| C28 | C27 | C26 | C33 | 0.1° | 0.0° |
| C28 | C27 | C26 | H23 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 179.9° | 180.0° |
| N34 | C33 | C26 | C27 | 179.9° | 179.9° |
| N34 | C33 | C26 | C25 | 0.1° | 0.0° |
| C33 | N34 | C35 | N36 | 0.1° | 0.1° |
| N34 | C33 | C32 | H27 | 0.0° | 0.2° |
| C33 | N34 | C35 | H28 | 179.9° | 180.0° |
| C26 | C33 | N34 | C35 | 0.1° | 0.1° |
| C33 | C26 | C27 | C25 | 180.0° | 179.9° |
| C33 | C26 | C25 | N36 | 0.0° | 0.1° |
| C33 | C26 | C25 | O24 | 180.0° | 179.8° |
| C33 | C26 | C27 | H23 | 179.9° | 179.9° |
| C26 | C33 | C32 | H27 | 180.0° | 179.9° |
| N34 | C35 | N36 | H28 | 180.0° | 179.9° |
| N34 | C35 | N36 | C25 | 0.1° | 0.0° |
| C27 | C26 | C25 | N36 | 179.9° | 180.0° |
| C27 | C26 | C25 | O24 | 0.1° | 0.1° |
| C26 | C25 | N36 | C35 | 0.0° | 0.1° |
| C26 | C25 | N36 | O24 | 180.0° | 179.8° |
| C26 | C25 | O24 | C19 | 173.9° | 174.9° |
| C25 | C26 | C27 | H23 | 0.1° | 0.1° |
| C35 | N36 | C25 | O24 | 180.0° | 179.8° |
| N36 | C25 | O24 | C19 | 6.0° | 5.3° |
| C25 | N36 | C35 | H28 | 179.9° | 179.9° |
| C25 | O24 | C19 | C20 | 93.8° | 85.9° |
| C25 | O24 | C19 | C18 | 87.1° | 94.2° |
| C21 | C20 | C19 | O24 | 0.7° | 0.1° |
| C21 | C20 | C19 | C22 | 179.8° | 179.8° |
| C21 | C20 | C19 | C18 | 179.9° | 180.0° |
| C21 | C20 | C22 | C23 | 180.0° | 180.0° |
| C20 | C21 | H3 | H4 | 120.0° | 120.1° |
| C20 | C21 | H3 | H5 | 120.0° | 119.9° |
| C20 | C21 | H4 | H5 | 120.0° | 120.0° |
| C21 | C20 | C22 | H21 | 0.0° | 0.2° |
| O24 | C19 | C20 | C18 | 179.1° | 179.9° |
| O24 | C19 | C20 | C22 | 179.5° | 179.7° |
| O24 | C19 | C18 | C17 | 179.5° | 179.9° |
| O24 | C19 | C18 | H2 | 0.5° | 0.0° |
| C19 | C20 | C22 | C23 | 0.2° | 0.2° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C20 | C19 | C18 | H2 | 179.6° | 179.9° |
| C19 | C20 | C21 | H3 | 90.1° | 90.0° |
| C19 | C20 | C21 | H4 | 149.9° | 150.0° |
| C19 | C20 | C21 | H5 | 29.9° | 30.0° |
| C19 | C20 | C22 | H21 | 179.8° | 180.0° |
| C22 | C20 | C19 | C18 | 0.4° | 0.2° |
| C20 | C22 | C23 | H21 | 180.0° | 179.8° |
| C20 | C22 | C23 | C17 | 0.1° | 0.0° |
| C22 | C20 | C21 | H3 | 90.1° | 90.2° |
| C22 | C20 | C21 | H4 | 29.9° | 29.8° |
| C22 | C20 | C21 | H5 | 149.9° | 149.8° |
| C20 | C22 | C23 | H22 | 179.9° | 180.0° |
| C19 | C18 | C17 | H2 | 180.0° | 180.0° |
| C19 | C18 | C17 | C23 | 0.3° | 0.2° |
| C19 | C18 | C17 | C15 | 179.9° | 180.0° |
| C22 | C23 | C17 | C18 | 0.1° | 0.2° |
| C22 | C23 | C17 | H22 | 180.0° | 180.0° |
| C22 | C23 | C17 | C15 | 180.0° | 180.0° |
| C18 | C17 | C23 | C15 | 179.8° | 179.7° |
| C18 | C17 | C15 | O16 | 7.4° | 0.0° |
| C18 | C17 | C15 | N14 | 172.5° | 180.0° |
| C18 | C17 | C23 | H22 | 179.9° | 179.8° |
| C23 | C17 | C15 | O16 | 172.8° | 179.7° |
| C23 | C17 | C15 | N14 | 7.3° | 0.3° |
| C23 | C17 | C18 | H2 | 179.7° | 179.7° |
| C17 | C23 | C22 | H21 | 179.9° | 179.8° |
| C17 | C15 | O16 | N14 | 179.9° | 180.0° |
| C17 | C15 | N14 | C13 | 180.0° | 175.0° |
| C15 | C17 | C18 | H2 | 0.1° | 0.0° |
| C15 | C17 | C23 | H22 | 0.1° | 0.0° |
| C17 | C15 | N14 | H36 | 0.1° | 5.0° |
| O16 | C15 | N14 | C13 | 0.1° | 5.0° |
| O16 | C15 | N14 | H36 | 179.9° | 175.1° |
| C15 | N14 | C13 | H36 | 180.0° | 180.0° |
| C15 | N14 | C13 | C12 | 42.4° | 146.0° |
| C15 | N14 | C13 | C39 | 138.1° | 34.1° |
| N14 | C13 | C12 | C39 | 179.6° | 179.9° |
| N14 | C13 | C12 | C11 | 179.8° | 180.0° |
| N14 | C13 | C39 | C40 | 179.9° | 179.7° |
| N14 | C13 | C12 | H1 | 0.2° | 0.1° |
| N14 | C13 | C39 | H32 | 0.1° | 0.1° |
| C13 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C13 | C39 | C40 | 0.4° | 0.2° |
| C13 | C12 | C11 | C41 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C12 | C13 | C39 | H32 | 179.7° | 180.0° |
| C12 | C13 | N14 | H36 | 137.6° | 34.0° |
| C39 | C13 | C12 | C11 | 0.2° | 0.1° |
| C13 | C39 | C40 | H32 | 180.0° | 179.8° |
| C13 | C39 | C40 | C10 | 0.5° | 0.5° |
| C39 | C13 | C12 | H1 | 179.8° | 180.0° |
| C13 | C39 | C40 | H33 | 179.5° | 180.0° |
| C39 | C13 | N14 | H36 | 41.9° | 145.9° |
| C12 | C11 | C41 | F44 | 2.8° | 118.8° |
| C12 | C11 | C41 | C10 | 179.8° | 179.9° |
| C12 | C11 | C41 | F43 | 117.7° | 1.2° |
| C12 | C11 | C41 | F42 | 121.8° | 121.2° |
| C12 | C11 | C10 | C40 | 0.3° | 0.2° |
| C12 | C11 | C10 | C09 | 179.6° | 179.9° |
| F44 | C41 | C11 | F43 | 120.5° | 120.0° |
| F44 | C41 | C11 | F42 | 119.0° | 120.0° |
| F44 | C41 | C11 | C10 | 177.0° | 61.2° |
| F44 | C41 | F43 | F42 | 107.8° | 120.0° |
| C39 | C40 | C10 | C11 | 0.5° | 0.5° |
| C39 | C40 | C10 | H33 | 180.0° | 179.6° |
| C39 | C40 | C10 | C09 | 179.7° | 179.8° |
| C11 | C41 | F43 | F42 | 126.4° | 120.0° |
| C41 | C11 | C10 | C40 | 179.9° | 179.7° |
| C41 | C11 | C10 | C09 | 0.6° | 0.0° |
| C41 | C11 | C12 | H1 | 0.0° | 0.0° |
| C10 | C11 | C41 | F43 | 62.5° | 178.9° |
| C10 | C11 | C41 | F42 | 58.0° | 58.8° |
| C11 | C10 | C40 | C09 | 179.2° | 179.7° |
| C11 | C10 | C09 | N06 | 150.3° | 77.4° |
| C10 | C11 | C12 | H1 | 179.8° | 180.0° |
| C11 | C10 | C09 | H19 | 29.9° | 42.5° |
| C11 | C10 | C09 | H20 | 89.5° | 162.5° |
| C11 | C10 | C40 | H33 | 179.5° | 180.0° |
| C40 | C10 | C09 | N06 | 28.9° | 102.8° |
| C40 | C10 | C09 | H19 | 149.2° | 137.2° |
| C40 | C10 | C09 | H20 | 91.3° | 17.2° |
| C10 | C40 | C39 | H32 | 179.5° | 179.7° |
| C10 | C09 | N06 | H19 | 120.3° | 119.9° |
| C10 | C09 | N06 | H20 | 120.3° | 120.0° |
| C10 | C09 | N06 | C07 | 91.3° | 165.2° |
| C10 | C09 | N06 | C05 | 149.7° | 71.0° |
| C10 | C09 | H19 | H20 | 119.1° | 120.0° |
| C09 | C10 | C40 | H33 | 0.3° | 0.2° |
| C09 | N06 | C07 | C05 | 119.4° | 123.8° |
| C09 | N06 | C07 | C08 | 178.2° | 176.9° |
| C09 | N06 | C05 | C04 | 178.4° | 176.9° |
| C09 | N06 | C05 | H13 | 61.8° | 56.9° |
| C09 | N06 | C05 | H14 | 58.5° | 63.2° |
| C09 | N06 | C07 | H15 | 58.2° | 63.2° |
| C09 | N06 | C07 | H16 | 61.8° | 56.9° |
| N06 | C09 | H19 | H20 | 119.1° | 120.1° |
| N06 | C07 | C08 | H15 | 120.0° | 120.0° |
| N06 | C07 | C08 | H16 | 120.0° | 120.0° |
| N06 | C07 | C08 | N03 | 58.0° | 58.4° |
| C07 | N06 | C05 | C04 | 62.7° | 59.4° |
| C07 | N06 | C05 | H13 | 57.1° | 179.3° |
| C07 | N06 | C05 | H14 | 177.4° | 60.6° |
| N06 | C07 | H15 | H16 | 120.0° | 120.1° |
| N06 | C07 | C08 | H17 | 62.1° | 61.6° |
| N06 | C07 | C08 | H18 | 178.1° | 178.4° |
| C07 | N06 | C09 | H19 | 29.0° | 45.3° |
| C07 | N06 | C09 | H20 | 148.4° | 74.8° |
| C08 | C07 | N06 | C05 | 62.4° | 59.4° |
| C07 | C08 | N03 | H17 | 120.1° | 120.0° |
| C07 | C08 | N03 | H18 | 120.1° | 120.0° |
| C07 | C08 | N03 | C04 | 55.1° | 59.3° |
| C07 | C08 | N03 | C02 | 174.3° | 176.8° |
| C08 | C07 | H15 | H16 | 120.0° | 120.1° |
| C07 | C08 | H17 | H18 | 119.7° | 120.0° |
| N06 | C05 | C04 | H13 | 119.9° | 120.0° |
| N06 | C05 | C04 | H14 | 119.9° | 120.0° |
| N06 | C05 | C04 | N03 | 59.4° | 58.4° |
| N06 | C05 | C04 | H11 | 179.5° | 178.4° |
| N06 | C05 | C04 | H12 | 60.7° | 61.6° |
| N06 | C05 | H13 | H14 | 120.4° | 120.1° |
| C05 | N06 | C07 | H15 | 177.6° | 60.6° |
| C05 | N06 | C07 | H16 | 57.6° | 179.3° |
| C05 | N06 | C09 | H19 | 90.0° | 169.0° |
| C05 | N06 | C09 | H20 | 29.4° | 49.0° |
| C08 | N03 | C04 | C05 | 56.1° | 59.2° |
| C08 | N03 | C04 | C02 | 119.1° | 123.9° |
| C08 | N03 | C02 | C01 | 149.8° | 170.0° |
| C08 | N03 | C02 | H9 | 90.6° | 50.0° |
| C08 | N03 | C02 | H10 | 30.2° | 70.0° |
| C08 | N03 | C04 | H11 | 176.3° | 179.3° |
| C08 | N03 | C04 | H12 | 64.0° | 60.7° |
| N03 | C08 | C07 | H15 | 178.0° | 61.5° |
| N03 | C08 | C07 | H16 | 62.0° | 178.4° |
| N03 | C08 | H17 | H18 | 119.7° | 120.0° |
| C05 | C04 | N03 | H11 | 120.2° | 120.0° |
| C05 | C04 | N03 | H12 | 120.1° | 119.9° |
| C05 | C04 | N03 | C02 | 175.3° | 176.8° |
| C05 | C04 | H11 | H12 | 119.6° | 120.0° |
| C04 | C05 | H13 | H14 | 120.4° | 120.0° |
| C04 | N03 | C02 | C01 | 89.1° | 66.2° |
| C04 | N03 | C02 | H9 | 30.6° | 173.9° |
| C04 | N03 | C02 | H10 | 151.4° | 53.8° |
| N03 | C04 | H11 | H12 | 119.6° | 120.0° |
| N03 | C04 | C05 | H13 | 60.5° | 178.4° |
| N03 | C04 | C05 | H14 | 179.3° | 61.6° |
| C04 | N03 | C08 | H17 | 65.0° | 60.7° |
| C04 | N03 | C08 | H18 | 175.2° | 179.3° |
| N03 | C02 | C01 | H9 | 119.6° | 120.0° |
| N03 | C02 | C01 | H10 | 119.6° | 120.1° |
| N03 | C02 | C01 | H6 | 180.0° | 60.0° |
| N03 | C02 | C01 | H7 | 60.0° | 60.0° |
| N03 | C02 | C01 | H8 | 60.0° | 180.0° |
| N03 | C02 | H9 | H10 | 121.2° | 120.1° |
| C02 | N03 | C04 | H11 | 64.6° | 56.8° |
| C02 | N03 | C04 | H12 | 55.1° | 63.2° |
| C02 | N03 | C08 | H17 | 54.2° | 63.2° |
| C02 | N03 | C08 | H18 | 65.6° | 56.8° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | H9 | H10 | 121.3° | 119.9° |
| H3 | C21 | H4 | H5 | 120.0° | 120.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H6 | C01 | C02 | H9 | 60.4° | 60.0° |
| H6 | C01 | C02 | H10 | 60.4° | 180.0° |
| H7 | C01 | C02 | H9 | 179.6° | 180.0° |
| H7 | C01 | C02 | H10 | 59.6° | 60.0° |
| H8 | C01 | C02 | H9 | 59.6° | 60.0° |
| H8 | C01 | C02 | H10 | 179.5° | 59.9° |
| H11 | C04 | C05 | H13 | 59.7° | 61.6° |
| H11 | C04 | C05 | H14 | 60.6° | 58.4° |
| H12 | C04 | C05 | H13 | 179.4° | 58.4° |
| H12 | C04 | C05 | H14 | 59.1° | 178.5° |
| H15 | C07 | C08 | H17 | 57.9° | 178.5° |
| H15 | C07 | C08 | H18 | 61.9° | 58.4° |
| H16 | C07 | C08 | H17 | 177.9° | 58.4° |
| H16 | C07 | C08 | H18 | 58.1° | 61.6° |
| H21 | C22 | C23 | H22 | 0.1° | 0.2° |
| H24 | C30 | H25 | H26 | 120.0° | 119.9° |
| H29 | C38 | H30 | H31 | 120.0° | 119.9° |
| H32 | C39 | C40 | H33 | 0.5° | 0.2° |
