A1L6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F45 | C42 | sing | 1.35Å | 1.37Å | |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C42 | C43 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C44 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | N35 | sing | 1.40Å | 1.47Å | |
| C46 | N36 | sing | 1.47Å | 1.45Å | |
| N35 | N36 | sing | 1.40Å | 1.34Å | |
| N35 | C34 | sing | 1.35Å | 1.30Å | |
| N36 | C37 | sing | 1.35Å | 1.34Å | |
| C34 | O38 | doub | 1.22Å | 1.18Å | |
| C34 | C33 | sing | 1.47Å | 1.41Å | |
| C37 | C33 | doub | 1.38Å | 1.42Å | |
| C33 | C31 | sing | 1.47Å | 1.53Å | |
| C31 | N30 | sing | 1.35Å | 1.46Å | |
| C31 | O32 | doub | 1.22Å | 1.18Å | |
| N30 | C27 | sing | 1.40Å | 1.46Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O23 | sing | 1.36Å | 1.41Å | |
| N05 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| N05 | C06 | sing | 1.33Å | 1.33Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.32Å | Aromatic |
| O23 | C06 | sing | 1.35Å | 1.40Å | |
| C06 | C01 | doub | 1.40Å | 1.42Å | Aromatic |
| N03 | C02 | doub | 1.33Å | 1.36Å | Aromatic |
| C01 | C02 | sing | 1.41Å | 1.38Å | Aromatic |
| C01 | C07 | sing | 1.47Å | 1.48Å | Aromatic |
| C02 | O09 | sing | 1.34Å | 1.35Å | Aromatic |
| C07 | C11 | sing | 1.48Å | 1.53Å | |
| C07 | C08 | doub | 1.37Å | 1.42Å | Aromatic |
| C16 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N17 | C15 | sing | 1.40Å | 1.46Å | |
| O09 | C08 | sing | 1.35Å | 1.30Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C10 | sing | 1.48Å | 1.54Å | |
| C10 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.31Å | Aromatic |
| C18 | N19 | doub | 1.31Å | 1.31Å | Aromatic |
| N20 | N19 | sing | 1.40Å | 1.33Å | Aromatic |
| N20 | C22 | sing | 1.47Å | 1.45Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C37 | H12 | sing | 1.08Å | 1.08Å | |
| C40 | H13 | sing | 1.08Å | 1.08Å | |
| C43 | H14 | sing | 1.08Å | 1.08Å | |
| C04 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C41 | H18 | sing | 1.08Å | 1.08Å | |
| C44 | H19 | sing | 1.08Å | 1.08Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| C46 | H22 | sing | 1.09Å | 1.10Å | |
| N17 | H23 | sing | 0.97Å | 1.00Å | |
| N17 | H24 | sing | 0.97Å | 1.00Å | |
| N30 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F45 | C42 | C41 | 119.9° | 120.0° |
| F45 | C42 | C43 | 120.0° | 120.0° |
| C41 | C42 | C43 | 120.1° | 120.1° |
| C42 | C41 | C40 | 119.8° | 120.1° |
| C42 | C41 | H18 | 120.1° | 120.0° |
| C42 | C43 | C44 | 120.0° | 120.0° |
| C42 | C43 | H14 | 119.9° | 120.0° |
| C41 | C40 | C39 | 120.3° | 120.0° |
| C41 | C40 | H13 | 119.9° | 120.1° |
| C40 | C41 | H18 | 120.1° | 120.0° |
| C43 | C44 | C39 | 120.0° | 120.0° |
| C44 | C43 | H14 | 120.0° | 120.0° |
| C43 | C44 | H19 | 120.0° | 119.9° |
| C40 | C39 | C44 | 119.8° | 119.9° |
| C40 | C39 | N35 | 120.2° | 120.1° |
| C39 | C40 | H13 | 119.8° | 120.0° |
| C44 | C39 | N35 | 119.9° | 120.1° |
| C39 | C44 | H19 | 120.0° | 120.1° |
| C39 | N35 | N36 | 128.4° | 125.7° |
| C39 | N35 | C34 | 121.5° | 125.7° |
| C46 | N36 | N35 | 125.6° | 125.0° |
| C46 | N36 | C37 | 124.6° | 125.0° |
| N36 | C46 | H20 | 109.5° | 109.4° |
| N36 | C46 | H21 | 109.4° | 109.5° |
| N36 | C46 | H22 | 109.5° | 109.5° |
| N36 | N35 | C34 | 110.0° | 108.6° |
| N35 | N36 | C37 | 109.8° | 109.9° |
| N35 | C34 | O38 | 126.4° | 126.7° |
| N35 | C34 | C33 | 108.4° | 106.5° |
| N36 | C37 | C33 | 106.6° | 108.5° |
| N36 | C37 | H12 | 126.7° | 125.8° |
| O38 | C34 | C33 | 125.2° | 126.8° |
| C34 | C33 | C37 | 105.2° | 106.5° |
| C34 | C33 | C31 | 122.5° | 126.7° |
| C37 | C33 | C31 | 132.3° | 126.8° |
| C33 | C37 | H12 | 126.7° | 125.7° |
| C33 | C31 | N30 | 112.8° | 120.0° |
| C33 | C31 | O32 | 123.0° | 120.0° |
| N30 | C31 | O32 | 124.2° | 120.0° |
| C31 | N30 | C27 | 129.0° | 120.0° |
| C31 | N30 | H25 | 115.5° | 120.0° |
| N30 | C27 | C26 | 116.4° | 120.0° |
| N30 | C27 | C28 | 123.3° | 120.0° |
| C27 | N30 | H25 | 115.5° | 120.0° |
| C27 | C26 | C25 | 120.4° | 119.9° |
| C26 | C27 | C28 | 120.3° | 120.0° |
| C27 | C26 | H10 | 119.8° | 120.0° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C26 | C25 | H9 | 120.3° | 120.0° |
| C25 | C26 | H10 | 119.8° | 120.0° |
| C27 | C28 | C29 | 119.2° | 120.0° |
| C27 | C28 | H11 | 120.4° | 120.0° |
| C25 | C24 | C29 | 120.3° | 120.0° |
| C25 | C24 | O23 | 119.8° | 120.0° |
| C24 | C25 | H9 | 120.2° | 120.0° |
| C28 | C29 | C24 | 120.3° | 120.0° |
| C29 | C28 | H11 | 120.4° | 120.0° |
| C28 | C29 | H17 | 119.9° | 120.0° |
| C29 | C24 | O23 | 120.0° | 120.0° |
| C24 | C29 | H17 | 119.9° | 120.0° |
| C24 | O23 | C06 | 113.2° | 118.0° |
| C04 | N05 | C06 | 120.6° | 120.9° |
| N05 | C04 | N03 | 121.6° | 122.7° |
| N05 | C04 | H15 | 119.2° | 118.7° |
| N05 | C06 | O23 | 121.6° | 120.8° |
| N05 | C06 | C01 | 120.1° | 118.4° |
| C04 | N03 | C02 | 120.8° | 120.7° |
| N03 | C04 | H15 | 119.2° | 118.6° |
| O23 | C06 | C01 | 118.4° | 120.8° |
| C06 | C01 | C02 | 117.0° | 118.9° |
| C06 | C01 | C07 | 137.9° | 135.3° |
| N03 | C02 | C01 | 120.0° | 118.4° |
| N03 | C02 | O09 | 130.9° | 133.9° |
| C02 | C01 | C07 | 105.1° | 105.8° |
| C01 | C02 | O09 | 109.2° | 107.7° |
| C01 | C07 | C11 | 126.5° | 127.2° |
| C01 | C07 | C08 | 104.8° | 105.7° |
| C02 | O09 | C08 | 111.9° | 111.2° |
| C11 | C07 | C08 | 128.7° | 127.1° |
| C07 | C11 | C16 | 119.5° | 120.1° |
| C07 | C11 | C12 | 120.9° | 120.1° |
| C07 | C08 | O09 | 109.0° | 109.6° |
| C07 | C08 | C10 | 127.8° | 125.3° |
| C11 | C16 | C15 | 120.4° | 119.8° |
| C16 | C11 | C12 | 119.6° | 119.8° |
| C11 | C16 | H4 | 119.8° | 120.1° |
| C16 | C15 | N17 | 119.9° | 120.0° |
| C16 | C15 | C14 | 119.9° | 119.9° |
| C15 | C16 | H4 | 119.8° | 120.1° |
| N17 | C15 | C14 | 120.2° | 120.0° |
| C15 | N17 | H23 | 109.5° | 120.0° |
| C15 | N17 | H24 | 109.5° | 120.0° |
| O09 | C08 | C10 | 123.2° | 125.2° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H1 | 120.0° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.3° |
| C15 | C14 | H3 | 120.1° | 119.9° |
| C12 | C13 | C14 | 120.2° | 120.2° |
| C13 | C12 | H1 | 120.0° | 120.0° |
| C12 | C13 | H2 | 119.9° | 119.9° |
| C14 | C13 | H2 | 119.9° | 119.9° |
| C13 | C14 | H3 | 120.1° | 119.9° |
| C08 | C10 | C21 | 126.4° | 126.4° |
| C08 | C10 | C18 | 129.1° | 126.3° |
| C21 | C10 | C18 | 104.5° | 107.2° |
| C10 | C21 | N20 | 107.8° | 107.4° |
| C10 | C21 | H5 | 126.1° | 126.2° |
| C10 | C18 | N19 | 107.3° | 108.1° |
| C10 | C18 | H16 | 126.4° | 126.0° |
| C21 | N20 | N19 | 109.9° | 108.4° |
| C21 | N20 | C22 | 124.8° | 125.8° |
| N20 | C21 | H5 | 126.1° | 126.4° |
| C18 | N19 | N20 | 110.5° | 108.8° |
| N19 | C18 | H16 | 126.3° | 125.9° |
| N19 | N20 | C22 | 125.3° | 125.8° |
| N20 | C22 | H6 | 109.5° | 109.5° |
| N20 | C22 | H7 | 109.5° | 109.5° |
| N20 | C22 | H8 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H6 | C22 | H8 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.4° |
| H20 | C46 | H21 | 109.5° | 109.4° |
| H20 | C46 | H22 | 109.5° | 109.4° |
| H21 | C46 | H22 | 109.5° | 109.5° |
| H23 | N17 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F45 | C42 | C41 | C43 | 180.0° | 179.8° |
| F45 | C42 | C41 | C40 | 180.0° | 180.0° |
| F45 | C42 | C43 | C44 | 180.0° | 179.9° |
| F45 | C42 | C43 | H14 | 0.0° | 0.2° |
| F45 | C42 | C41 | H18 | 0.0° | 0.0° |
| C42 | C41 | C40 | H18 | 180.0° | 180.0° |
| C41 | C42 | C43 | C44 | 0.0° | 0.3° |
| C42 | C41 | C40 | C39 | 0.6° | 0.1° |
| C42 | C41 | C40 | H13 | 179.4° | 180.0° |
| C41 | C42 | C43 | H14 | 180.0° | 180.0° |
| C43 | C42 | C41 | C40 | 0.0° | 0.2° |
| C42 | C43 | C44 | H14 | 180.0° | 179.7° |
| C42 | C43 | C44 | C39 | 0.6° | 0.0° |
| C43 | C42 | C41 | H18 | 180.0° | 179.8° |
| C42 | C43 | C44 | H19 | 179.4° | 180.0° |
| C41 | C40 | C39 | H13 | 180.0° | 180.0° |
| C41 | C40 | C39 | C44 | 1.2° | 0.3° |
| C41 | C40 | C39 | N35 | 178.9° | 180.0° |
| C43 | C44 | C39 | C40 | 1.2° | 0.3° |
| C43 | C44 | C39 | H19 | 180.0° | 180.0° |
| C43 | C44 | C39 | N35 | 179.0° | 179.9° |
| C40 | C39 | C44 | N35 | 177.8° | 179.7° |
| C40 | C39 | N35 | N36 | 65.7° | 36.7° |
| C40 | C39 | N35 | C34 | 113.3° | 142.7° |
| C39 | C40 | C41 | H18 | 179.4° | 179.9° |
| C40 | C39 | C44 | H19 | 178.8° | 179.7° |
| C44 | C39 | N35 | N36 | 116.5° | 142.9° |
| C44 | C39 | N35 | C34 | 64.5° | 37.7° |
| C44 | C39 | C40 | H13 | 178.8° | 179.7° |
| C39 | C44 | C43 | H14 | 179.4° | 179.7° |
| C39 | N35 | N36 | C46 | 0.9° | 0.1° |
| C39 | N35 | N36 | C34 | 179.1° | 179.5° |
| C39 | N35 | N36 | C37 | 179.5° | 180.0° |
| C39 | N35 | C34 | O38 | 0.6° | 0.3° |
| C39 | N35 | C34 | C33 | 179.8° | 179.8° |
| N35 | C39 | C40 | H13 | 1.1° | 0.1° |
| N35 | C39 | C44 | H19 | 1.0° | 0.0° |
| C46 | N36 | N35 | C37 | 179.6° | 179.9° |
| C46 | N36 | N35 | C34 | 180.0° | 179.6° |
| C46 | N36 | C37 | C33 | 179.7° | 179.6° |
| C46 | N36 | C37 | H12 | 0.3° | 0.2° |
| N36 | C46 | H20 | H21 | 120.0° | 120.0° |
| N36 | C46 | H20 | H22 | 120.0° | 120.0° |
| N36 | C46 | H21 | H22 | 120.0° | 120.1° |
| N36 | N35 | C34 | O38 | 179.8° | 179.8° |
| N36 | N35 | C34 | C33 | 0.6° | 0.3° |
| N35 | N36 | C37 | C33 | 0.1° | 0.4° |
| N35 | N36 | C37 | H12 | 180.0° | 179.8° |
| N35 | N36 | C46 | H20 | 180.0° | 94.7° |
| N35 | N36 | C46 | H21 | 60.0° | 145.3° |
| N35 | N36 | C46 | H22 | 60.0° | 25.3° |
| C34 | N35 | N36 | C37 | 0.4° | 0.5° |
| N35 | C34 | O38 | C33 | 179.5° | 179.9° |
| N35 | C34 | C33 | C37 | 0.6° | 0.1° |
| N35 | C34 | C33 | C31 | 179.7° | 180.0° |
| N36 | C37 | C33 | C34 | 0.3° | 0.2° |
| N36 | C37 | C33 | H12 | 180.0° | 179.8° |
| N36 | C37 | C33 | C31 | 179.3° | 179.7° |
| C37 | N36 | C46 | H20 | 0.5° | 85.4° |
| C37 | N36 | C46 | H21 | 120.5° | 34.6° |
| C37 | N36 | C46 | H22 | 119.6° | 154.7° |
| O38 | C34 | C33 | C37 | 179.8° | 180.0° |
| O38 | C34 | C33 | C31 | 0.7° | 0.1° |
| C34 | C33 | C37 | C31 | 179.0° | 180.0° |
| C34 | C33 | C31 | N30 | 10.3° | 0.0° |
| C34 | C33 | C31 | O32 | 170.3° | 180.0° |
| C34 | C33 | C37 | H12 | 179.7° | 180.0° |
| C37 | C33 | C31 | N30 | 168.5° | 180.0° |
| C37 | C33 | C31 | O32 | 10.9° | 0.0° |
| C33 | C31 | N30 | O32 | 179.4° | 180.0° |
| C33 | C31 | N30 | C27 | 179.4° | 174.1° |
| C31 | C33 | C37 | H12 | 0.7° | 0.1° |
| C33 | C31 | N30 | H25 | 0.6° | 5.9° |
| C31 | N30 | C27 | H25 | 180.0° | 180.0° |
| C31 | N30 | C27 | C26 | 170.1° | 34.5° |
| C31 | N30 | C27 | C28 | 11.2° | 145.6° |
| O32 | C31 | N30 | C27 | 0.0° | 5.9° |
| O32 | C31 | N30 | H25 | 180.0° | 174.1° |
| N30 | C27 | C26 | C28 | 178.8° | 179.9° |
| N30 | C27 | C26 | C25 | 179.3° | 179.9° |
| N30 | C27 | C28 | C29 | 179.4° | 180.0° |
| N30 | C27 | C26 | H10 | 0.7° | 0.0° |
| N30 | C27 | C28 | H11 | 0.6° | 0.1° |
| C27 | C26 | C25 | H10 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C27 | C26 | C25 | H9 | 179.6° | 180.0° |
| C26 | C27 | C28 | H11 | 179.3° | 180.0° |
| C26 | C27 | N30 | H25 | 9.9° | 145.6° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C25 | C24 | H9 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 1.0° | 0.0° |
| C26 | C25 | C24 | O23 | 179.5° | 179.7° |
| C27 | C28 | C29 | H11 | 180.0° | 179.9° |
| C27 | C28 | C29 | C24 | 0.0° | 0.1° |
| C28 | C27 | C26 | H10 | 179.5° | 180.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.8° |
| C28 | C27 | N30 | H25 | 168.8° | 34.4° |
| C25 | C24 | C29 | C28 | 0.8° | 0.0° |
| C25 | C24 | C29 | O23 | 178.4° | 179.7° |
| C25 | C24 | O23 | C06 | 68.7° | 66.2° |
| C24 | C25 | C26 | H10 | 179.6° | 180.0° |
| C25 | C24 | C29 | H17 | 179.1° | 179.8° |
| C28 | C29 | C24 | H17 | 180.0° | 179.8° |
| C28 | C29 | C24 | O23 | 179.3° | 179.8° |
| C29 | C24 | O23 | C06 | 112.9° | 114.0° |
| C29 | C24 | C25 | H9 | 179.0° | 180.0° |
| C24 | C29 | C28 | H11 | 180.0° | 180.0° |
| C24 | O23 | C06 | N05 | 11.7° | 5.3° |
| C24 | O23 | C06 | C01 | 168.8° | 174.9° |
| O23 | C24 | C25 | H9 | 0.5° | 0.2° |
| O23 | C24 | C29 | H17 | 0.7° | 0.0° |
| N05 | C04 | N03 | H15 | 180.0° | 179.5° |
| C04 | N05 | C06 | O23 | 180.0° | 179.6° |
| C04 | N05 | C06 | C01 | 0.6° | 0.6° |
| N05 | C04 | N03 | C02 | 0.5° | 0.5° |
| C06 | N05 | C04 | N03 | 0.7° | 0.8° |
| N05 | C06 | O23 | C01 | 179.4° | 179.9° |
| N05 | C06 | C01 | C02 | 0.2° | 0.1° |
| N05 | C06 | C01 | C07 | 179.5° | 179.7° |
| C06 | N05 | C04 | H15 | 179.3° | 179.7° |
| C04 | N03 | C02 | C01 | 0.1° | 0.0° |
| C04 | N03 | C02 | O09 | 179.8° | 180.0° |
| O23 | C06 | C01 | C02 | 179.6° | 180.0° |
| O23 | C06 | C01 | C07 | 0.0° | 0.2° |
| C06 | C01 | C02 | N03 | 0.0° | 0.2° |
| C06 | C01 | C02 | C07 | 179.7° | 179.9° |
| C06 | C01 | C02 | O09 | 180.0° | 179.9° |
| C06 | C01 | C07 | C11 | 1.0° | 0.1° |
| C06 | C01 | C07 | C08 | 179.9° | 179.8° |
| N03 | C02 | C01 | O09 | 179.9° | 179.9° |
| N03 | C02 | C01 | C07 | 179.8° | 180.0° |
| N03 | C02 | O09 | C08 | 180.0° | 180.0° |
| C02 | N03 | C04 | H15 | 179.5° | 179.9° |
| C02 | C01 | C07 | C11 | 179.3° | 179.9° |
| C02 | C01 | C07 | C08 | 0.4° | 0.0° |
| C01 | C02 | O09 | C08 | 0.0° | 0.0° |
| C07 | C01 | C02 | O09 | 0.3° | 0.0° |
| C01 | C07 | C11 | C08 | 178.6° | 179.9° |
| C01 | C07 | C11 | C16 | 122.6° | 115.2° |
| C01 | C07 | C08 | O09 | 0.4° | 0.1° |
| C01 | C07 | C11 | C12 | 56.5° | 65.1° |
| C01 | C07 | C08 | C10 | 179.9° | 179.9° |
| C02 | O09 | C08 | C07 | 0.2° | 0.1° |
| C02 | O09 | C08 | C10 | 179.8° | 179.9° |
| C07 | C11 | C16 | C12 | 179.1° | 179.7° |
| C07 | C11 | C16 | C15 | 179.7° | 179.7° |
| C11 | C07 | C08 | O09 | 179.3° | 179.9° |
| C07 | C11 | C12 | C13 | 179.6° | 179.7° |
| C11 | C07 | C08 | C10 | 1.2° | 0.0° |
| C07 | C11 | C12 | H1 | 0.4° | 0.3° |
| C07 | C11 | C16 | H4 | 0.2° | 0.3° |
| C08 | C07 | C11 | C16 | 56.0° | 64.6° |
| C07 | C08 | O09 | C10 | 179.6° | 180.0° |
| C08 | C07 | C11 | C12 | 124.9° | 115.1° |
| C07 | C08 | C10 | C21 | 164.3° | 180.0° |
| C07 | C08 | C10 | C18 | 16.8° | 0.3° |
| C11 | C16 | C15 | H4 | 180.0° | 180.0° |
| C11 | C16 | C15 | N17 | 179.7° | 180.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.0° |
| C16 | C11 | C12 | C13 | 0.5° | 0.0° |
| C16 | C11 | C12 | H1 | 179.5° | 180.0° |
| C16 | C15 | N17 | C14 | 179.9° | 179.9° |
| C15 | C16 | C11 | C12 | 0.6° | 0.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | H3 | 179.9° | 180.0° |
| C16 | C15 | N17 | H23 | 180.0° | 180.0° |
| C16 | C15 | N17 | H24 | 60.0° | 0.1° |
| N17 | C15 | C14 | C13 | 180.0° | 180.0° |
| N17 | C15 | C14 | H3 | 0.0° | 0.1° |
| N17 | C15 | C16 | H4 | 0.4° | 0.0° |
| C15 | N17 | H23 | H24 | 120.0° | 179.9° |
| O09 | C08 | C10 | C21 | 16.2° | 0.0° |
| O09 | C08 | C10 | C18 | 162.7° | 179.7° |
| C11 | C12 | C13 | H1 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C12 | C11 | C16 | H4 | 179.3° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | H3 | 180.0° | 179.9° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C14 | C15 | C16 | H4 | 179.5° | 180.0° |
| C14 | C15 | N17 | H23 | 0.1° | 0.1° |
| C14 | C15 | N17 | H24 | 120.1° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | H3 | 180.0° | 179.9° |
| C14 | C13 | C12 | H1 | 179.8° | 180.0° |
| C08 | C10 | C21 | C18 | 179.2° | 179.8° |
| C08 | C10 | C21 | N20 | 179.6° | 179.7° |
| C08 | C10 | C18 | N19 | 179.6° | 179.7° |
| C08 | C10 | C21 | H5 | 0.4° | 0.2° |
| C08 | C10 | C18 | H16 | 0.4° | 0.2° |
| C10 | C21 | N20 | H5 | 180.0° | 179.9° |
| C21 | C10 | C18 | N19 | 0.5° | 0.1° |
| C10 | C21 | N20 | N19 | 0.2° | 0.0° |
| C10 | C21 | N20 | C22 | 179.8° | 180.0° |
| C21 | C10 | C18 | H16 | 179.5° | 180.0° |
| C18 | C10 | C21 | N20 | 0.4° | 0.0° |
| C10 | C18 | N19 | H16 | 180.0° | 179.9° |
| C10 | C18 | N19 | N20 | 0.4° | 0.1° |
| C18 | C10 | C21 | H5 | 179.6° | 180.0° |
| C21 | N20 | N19 | C18 | 0.1° | 0.0° |
| C21 | N20 | N19 | C22 | 180.0° | 180.0° |
| C21 | N20 | C22 | H6 | 179.9° | 90.0° |
| C21 | N20 | C22 | H7 | 60.0° | 150.0° |
| C21 | N20 | C22 | H8 | 59.9° | 30.0° |
| C18 | N19 | N20 | C22 | 179.9° | 180.0° |
| N19 | N20 | C21 | H5 | 179.8° | 179.9° |
| N19 | N20 | C22 | H6 | 0.0° | 90.0° |
| N19 | N20 | C22 | H7 | 120.0° | 30.0° |
| N19 | N20 | C22 | H8 | 120.0° | 150.0° |
| N20 | N19 | C18 | H16 | 179.6° | 180.0° |
| C22 | N20 | C21 | H5 | 0.2° | 0.1° |
| N20 | C22 | H6 | H7 | 120.0° | 120.0° |
| N20 | C22 | H6 | H8 | 120.0° | 120.0° |
| N20 | C22 | H7 | H8 | 120.0° | 120.0° |
| H1 | C12 | C13 | H2 | 0.2° | 0.0° |
| H2 | C13 | C14 | H3 | 0.0° | 0.0° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C25 | C26 | H10 | 0.4° | 0.0° |
| H11 | C28 | C29 | H17 | 0.0° | 0.2° |
| H13 | C40 | C41 | H18 | 0.6° | 0.0° |
| H14 | C43 | C44 | H19 | 0.6° | 0.3° |
| H20 | C46 | H21 | H22 | 120.0° | 120.0° |
