A1L6L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C04 | sing | 1.35Å | 1.36Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | N07 | sing | 1.40Å | 1.45Å | |
| C08 | N07 | sing | 1.36Å | 1.32Å | |
| C08 | C09 | doub | 1.36Å | 1.38Å | |
| N07 | C12 | sing | 1.35Å | 1.33Å | |
| C09 | C10 | sing | 1.39Å | 1.38Å | |
| C12 | O16 | doub | 1.22Å | 1.19Å | |
| C12 | C11 | sing | 1.42Å | 1.40Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | |
| C11 | C13 | sing | 1.47Å | 1.53Å | |
| C13 | N14 | sing | 1.35Å | 1.46Å | |
| C13 | O17 | doub | 1.22Å | 1.18Å | |
| N14 | C15 | sing | 1.40Å | 1.46Å | |
| C23 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | O24 | sing | 1.36Å | 1.41Å | |
| N30 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| N30 | C25 | sing | 1.33Å | 1.33Å | Aromatic |
| C29 | N28 | sing | 1.32Å | 1.32Å | Aromatic |
| O24 | C25 | sing | 1.35Å | 1.40Å | |
| C25 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| N28 | C27 | doub | 1.33Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.38Å | Aromatic |
| C26 | C31 | sing | 1.47Å | 1.47Å | Aromatic |
| C27 | O33 | sing | 1.34Å | 1.35Å | Aromatic |
| N41 | C38 | sing | 1.40Å | 1.45Å | |
| C39 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C39 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.48Å | 1.53Å | |
| C31 | C32 | doub | 1.37Å | 1.41Å | Aromatic |
| O33 | C32 | sing | 1.35Å | 1.30Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C40 | sing | 1.48Å | 1.53Å | |
| C40 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C42 | sing | 1.41Å | 1.41Å | Aromatic |
| C45 | N44 | sing | 1.35Å | 1.31Å | Aromatic |
| C42 | N43 | doub | 1.31Å | 1.31Å | Aromatic |
| N44 | N43 | sing | 1.40Å | 1.33Å | Aromatic |
| N44 | C46 | sing | 1.47Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C35 | H5 | sing | 1.08Å | 1.08Å | |
| C36 | H6 | sing | 1.08Å | 1.08Å | |
| C37 | H7 | sing | 1.08Å | 1.08Å | |
| C39 | H8 | sing | 1.08Å | 1.08Å | |
| C42 | H9 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C45 | H18 | sing | 1.08Å | 1.08Å | |
| C46 | H19 | sing | 1.09Å | 1.10Å | |
| C46 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.09Å | 1.10Å | |
| N14 | H22 | sing | 0.97Å | 1.00Å | |
| N41 | H23 | sing | 0.97Å | 1.00Å | |
| N41 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C04 | C03 | 119.8° | 120.0° |
| F18 | C04 | C05 | 120.0° | 119.9° |
| C03 | C04 | C05 | 120.2° | 120.1° |
| C04 | C03 | C02 | 119.8° | 120.1° |
| C04 | C03 | H11 | 120.1° | 120.0° |
| C04 | C05 | C06 | 119.9° | 120.1° |
| C04 | C05 | H12 | 120.1° | 120.0° |
| C03 | C02 | C01 | 120.2° | 119.9° |
| C03 | C02 | H10 | 119.9° | 120.1° |
| C02 | C03 | H11 | 120.1° | 120.0° |
| C05 | C06 | C01 | 120.0° | 119.9° |
| C06 | C05 | H12 | 120.0° | 120.0° |
| C05 | C06 | H13 | 120.0° | 120.1° |
| C02 | C01 | C06 | 119.9° | 119.9° |
| C02 | C01 | N07 | 119.4° | 120.0° |
| C01 | C02 | H10 | 119.9° | 120.0° |
| C06 | C01 | N07 | 120.6° | 120.0° |
| C01 | C06 | H13 | 120.0° | 120.0° |
| C01 | N07 | C08 | 118.9° | 119.5° |
| C01 | N07 | C12 | 120.0° | 119.5° |
| N07 | C08 | C09 | 121.9° | 121.2° |
| C08 | N07 | C12 | 121.1° | 121.0° |
| N07 | C08 | H14 | 119.1° | 119.4° |
| C08 | C09 | C10 | 118.6° | 120.2° |
| C09 | C08 | H14 | 119.1° | 119.5° |
| C08 | C09 | H15 | 120.7° | 119.9° |
| N07 | C12 | O16 | 120.6° | 120.1° |
| N07 | C12 | C11 | 120.3° | 119.8° |
| C09 | C10 | C11 | 119.3° | 119.0° |
| C09 | C10 | H1 | 120.3° | 120.5° |
| C10 | C09 | H15 | 120.7° | 120.0° |
| O16 | C12 | C11 | 119.1° | 120.1° |
| C12 | C11 | C10 | 118.8° | 118.8° |
| C12 | C11 | C13 | 119.6° | 120.6° |
| C10 | C11 | C13 | 121.6° | 120.6° |
| C11 | C10 | H1 | 120.4° | 120.5° |
| C11 | C13 | N14 | 117.7° | 120.0° |
| C11 | C13 | O17 | 119.6° | 120.0° |
| N14 | C13 | O17 | 122.7° | 120.0° |
| C13 | N14 | C15 | 126.7° | 120.0° |
| C13 | N14 | H22 | 116.7° | 119.9° |
| N14 | C15 | C23 | 117.7° | 120.0° |
| N14 | C15 | C19 | 123.0° | 120.0° |
| C15 | N14 | H22 | 116.7° | 120.1° |
| C15 | C23 | C22 | 120.5° | 120.0° |
| C23 | C15 | C19 | 119.4° | 120.0° |
| C15 | C23 | H4 | 119.8° | 120.1° |
| C23 | C22 | C21 | 120.0° | 120.0° |
| C23 | C22 | H3 | 120.0° | 120.0° |
| C22 | C23 | H4 | 119.8° | 120.0° |
| C15 | C19 | C20 | 120.3° | 119.9° |
| C15 | C19 | H2 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C22 | C21 | O24 | 120.0° | 120.0° |
| C21 | C22 | H3 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C20 | C19 | H2 | 119.9° | 120.0° |
| C19 | C20 | H16 | 120.0° | 119.9° |
| C20 | C21 | O24 | 120.2° | 120.0° |
| C21 | C20 | H16 | 120.0° | 120.0° |
| C21 | O24 | C25 | 113.1° | 118.0° |
| C29 | N30 | C25 | 120.7° | 120.9° |
| N30 | C29 | N28 | 121.3° | 122.7° |
| N30 | C29 | H17 | 119.4° | 118.7° |
| N30 | C25 | O24 | 121.5° | 120.9° |
| N30 | C25 | C26 | 119.9° | 118.3° |
| C29 | N28 | C27 | 121.1° | 120.7° |
| N28 | C29 | H17 | 119.3° | 118.6° |
| O24 | C25 | C26 | 118.6° | 120.9° |
| C25 | C26 | C27 | 117.4° | 118.9° |
| C25 | C26 | C31 | 137.7° | 135.3° |
| N28 | C27 | C26 | 119.5° | 118.4° |
| N28 | C27 | O33 | 130.8° | 133.9° |
| C27 | C26 | C31 | 104.8° | 105.8° |
| C26 | C27 | O33 | 109.6° | 107.7° |
| C26 | C31 | C34 | 126.4° | 127.2° |
| C26 | C31 | C32 | 104.8° | 105.7° |
| C27 | O33 | C32 | 111.3° | 111.3° |
| N41 | C38 | C39 | 120.0° | 120.0° |
| N41 | C38 | C37 | 120.0° | 120.0° |
| C38 | N41 | H23 | 109.5° | 120.0° |
| C38 | N41 | H24 | 109.5° | 120.0° |
| C38 | C39 | C34 | 120.2° | 119.8° |
| C39 | C38 | C37 | 120.1° | 120.0° |
| C38 | C39 | H8 | 119.9° | 120.2° |
| C39 | C34 | C31 | 119.7° | 120.1° |
| C39 | C34 | C35 | 119.7° | 119.8° |
| C34 | C39 | H8 | 119.9° | 120.1° |
| C34 | C31 | C32 | 128.7° | 127.1° |
| C31 | C34 | C35 | 120.6° | 120.1° |
| C31 | C32 | O33 | 109.4° | 109.5° |
| C31 | C32 | C40 | 126.7° | 125.2° |
| O33 | C32 | C40 | 123.9° | 125.3° |
| C38 | C37 | C36 | 119.8° | 120.2° |
| C38 | C37 | H7 | 120.1° | 119.9° |
| C34 | C35 | C36 | 120.1° | 120.0° |
| C34 | C35 | H5 | 119.9° | 120.0° |
| C37 | C36 | C35 | 120.1° | 120.2° |
| C37 | C36 | H6 | 120.0° | 119.9° |
| C36 | C37 | H7 | 120.1° | 119.9° |
| C36 | C35 | H5 | 119.9° | 120.0° |
| C35 | C36 | H6 | 119.9° | 119.9° |
| C32 | C40 | C45 | 126.5° | 126.4° |
| C32 | C40 | C42 | 128.3° | 126.4° |
| C45 | C40 | C42 | 105.2° | 107.3° |
| C40 | C45 | N44 | 107.2° | 107.4° |
| C40 | C45 | H18 | 126.4° | 126.3° |
| C40 | C42 | N43 | 106.8° | 108.1° |
| C40 | C42 | H9 | 126.6° | 125.9° |
| C45 | N44 | N43 | 110.2° | 108.4° |
| C45 | N44 | C46 | 124.8° | 125.8° |
| N44 | C45 | H18 | 126.4° | 126.3° |
| C42 | N43 | N44 | 110.7° | 108.9° |
| N43 | C42 | H9 | 126.6° | 125.9° |
| N43 | N44 | C46 | 125.0° | 125.8° |
| N44 | C46 | H19 | 109.5° | 109.5° |
| N44 | C46 | H20 | 109.5° | 109.4° |
| N44 | C46 | H21 | 109.5° | 109.5° |
| H19 | C46 | H20 | 109.4° | 109.5° |
| H19 | C46 | H21 | 109.4° | 109.5° |
| H20 | C46 | H21 | 109.5° | 109.5° |
| H23 | N41 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C04 | C03 | C05 | 179.9° | 180.0° |
| F18 | C04 | C03 | C02 | 179.9° | 180.0° |
| F18 | C04 | C05 | C06 | 180.0° | 179.8° |
| F18 | C04 | C03 | H11 | 0.1° | 0.1° |
| F18 | C04 | C05 | H12 | 0.0° | 0.1° |
| C04 | C03 | C02 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.3° |
| C04 | C03 | C02 | C01 | 0.0° | 0.1° |
| C04 | C03 | C02 | H10 | 179.9° | 180.0° |
| C03 | C04 | C05 | H12 | 179.9° | 179.9° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C04 | C05 | C06 | H12 | 180.0° | 179.8° |
| C04 | C05 | C06 | C01 | 0.2° | 0.5° |
| C05 | C04 | C03 | H11 | 180.0° | 180.0° |
| C04 | C05 | C06 | H13 | 179.8° | 180.0° |
| C03 | C02 | C01 | H10 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.1° | 0.2° |
| C03 | C02 | C01 | N07 | 180.0° | 180.0° |
| C05 | C06 | C01 | C02 | 0.2° | 0.5° |
| C05 | C06 | C01 | H13 | 180.0° | 179.5° |
| C05 | C06 | C01 | N07 | 179.9° | 179.7° |
| C02 | C01 | C06 | N07 | 179.9° | 179.8° |
| C02 | C01 | N07 | C08 | 64.0° | 120.3° |
| C02 | C01 | N07 | C12 | 115.8° | 60.5° |
| C01 | C02 | C03 | H11 | 180.0° | 179.9° |
| C02 | C01 | C06 | H13 | 179.8° | 180.0° |
| C06 | C01 | N07 | C08 | 115.9° | 59.9° |
| C06 | C01 | N07 | C12 | 64.3° | 119.3° |
| C06 | C01 | C02 | H10 | 179.9° | 179.7° |
| C01 | C06 | C05 | H12 | 179.8° | 179.7° |
| C01 | N07 | C08 | C12 | 179.9° | 179.2° |
| C01 | N07 | C08 | C09 | 179.9° | 180.0° |
| C01 | N07 | C12 | O16 | 0.0° | 0.3° |
| C01 | N07 | C12 | C11 | 179.9° | 179.7° |
| N07 | C01 | C02 | H10 | 0.0° | 0.1° |
| N07 | C01 | C06 | H13 | 0.0° | 0.2° |
| C01 | N07 | C08 | H14 | 0.1° | 0.0° |
| N07 | C08 | C09 | H14 | 180.0° | 180.0° |
| N07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | N07 | C12 | O16 | 179.9° | 179.5° |
| C08 | N07 | C12 | C11 | 0.1° | 0.5° |
| N07 | C08 | C09 | H15 | 180.0° | 180.0° |
| C09 | C08 | N07 | C12 | 0.1° | 0.8° |
| C08 | C09 | C10 | H15 | 180.0° | 179.5° |
| C08 | C09 | C10 | C11 | 0.1° | 0.1° |
| C08 | C09 | C10 | H1 | 180.0° | 179.7° |
| N07 | C12 | O16 | C11 | 180.0° | 180.0° |
| N07 | C12 | C11 | C10 | 0.0° | 0.1° |
| N07 | C12 | C11 | C13 | 179.9° | 180.0° |
| C12 | N07 | C08 | H14 | 180.0° | 179.2° |
| C09 | C10 | C11 | C12 | 0.1° | 0.4° |
| C09 | C10 | C11 | H1 | 180.0° | 179.6° |
| C09 | C10 | C11 | C13 | 180.0° | 179.7° |
| C10 | C09 | C08 | H14 | 180.0° | 179.5° |
| O16 | C12 | C11 | C10 | 180.0° | 179.9° |
| O16 | C12 | C11 | C13 | 0.1° | 0.0° |
| C12 | C11 | C10 | C13 | 179.9° | 179.9° |
| C12 | C11 | C13 | N14 | 8.2° | 5.9° |
| C12 | C11 | C13 | O17 | 171.5° | 174.1° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C10 | C11 | C13 | N14 | 171.9° | 174.2° |
| C10 | C11 | C13 | O17 | 8.4° | 5.8° |
| C11 | C10 | C09 | H15 | 179.9° | 179.4° |
| C11 | C13 | N14 | O17 | 179.6° | 180.0° |
| C11 | C13 | N14 | C15 | 179.9° | 172.6° |
| C13 | C11 | C10 | H1 | 0.0° | 0.1° |
| C11 | C13 | N14 | H22 | 0.2° | 7.5° |
| C13 | N14 | C15 | H22 | 180.0° | 180.0° |
| C13 | N14 | C15 | C23 | 176.7° | 32.2° |
| C13 | N14 | C15 | C19 | 3.6° | 147.5° |
| O17 | C13 | N14 | C15 | 0.5° | 7.5° |
| O17 | C13 | N14 | H22 | 179.5° | 172.5° |
| N14 | C15 | C23 | C19 | 179.7° | 179.7° |
| N14 | C15 | C23 | C22 | 180.0° | 179.7° |
| N14 | C15 | C19 | C20 | 179.9° | 179.8° |
| N14 | C15 | C19 | H2 | 0.1° | 0.3° |
| N14 | C15 | C23 | H4 | 0.0° | 0.2° |
| C15 | C23 | C22 | H4 | 180.0° | 179.9° |
| C15 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C15 | C19 | C20 | 0.2° | 0.0° |
| C23 | C15 | C19 | H2 | 179.8° | 179.9° |
| C15 | C23 | C22 | H3 | 179.8° | 180.0° |
| C23 | C15 | N14 | H22 | 3.3° | 147.8° |
| C22 | C23 | C15 | C19 | 0.2° | 0.0° |
| C23 | C22 | C21 | H3 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C23 | C22 | C21 | O24 | 179.3° | 180.0° |
| C15 | C19 | C20 | H2 | 180.0° | 179.9° |
| C15 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C15 | C23 | H4 | 179.8° | 179.9° |
| C15 | C19 | C20 | H16 | 179.7° | 179.9° |
| C19 | C15 | N14 | H22 | 176.4° | 32.5° |
| C22 | C21 | C20 | C19 | 0.7° | 0.0° |
| C22 | C21 | C20 | O24 | 178.7° | 180.0° |
| C22 | C21 | O24 | C25 | 74.6° | 111.0° |
| C21 | C22 | C23 | H4 | 179.8° | 179.9° |
| C22 | C21 | C20 | H16 | 179.3° | 179.9° |
| C19 | C20 | C21 | H16 | 180.0° | 180.0° |
| C19 | C20 | C21 | O24 | 179.4° | 179.9° |
| C20 | C21 | O24 | C25 | 106.7° | 69.0° |
| C21 | C20 | C19 | H2 | 179.7° | 179.9° |
| C20 | C21 | C22 | H3 | 179.4° | 180.0° |
| C21 | O24 | C25 | N30 | 9.2° | 5.1° |
| C21 | O24 | C25 | C26 | 171.2° | 174.7° |
| O24 | C21 | C22 | H3 | 0.7° | 0.0° |
| O24 | C21 | C20 | H16 | 0.6° | 0.1° |
| N30 | C29 | N28 | H17 | 180.0° | 180.0° |
| C29 | N30 | C25 | O24 | 179.9° | 179.8° |
| C29 | N30 | C25 | C26 | 0.5° | 0.0° |
| N30 | C29 | N28 | C27 | 0.4° | 0.1° |
| C25 | N30 | C29 | N28 | 0.6° | 0.0° |
| N30 | C25 | O24 | C26 | 179.6° | 179.8° |
| N30 | C25 | C26 | C27 | 0.2° | 0.0° |
| N30 | C25 | C26 | C31 | 179.9° | 180.0° |
| C25 | N30 | C29 | H17 | 179.4° | 180.0° |
| C29 | N28 | C27 | C26 | 0.1° | 0.1° |
| C29 | N28 | C27 | O33 | 179.8° | 180.0° |
| O24 | C25 | C26 | C27 | 179.8° | 179.8° |
| O24 | C25 | C26 | C31 | 0.3° | 0.2° |
| C25 | C26 | C27 | N28 | 0.1° | 0.0° |
| C25 | C26 | C27 | C31 | 179.9° | 180.0° |
| C25 | C26 | C27 | O33 | 179.9° | 180.0° |
| C25 | C26 | C31 | C34 | 0.3° | 0.0° |
| C25 | C26 | C31 | C32 | 179.9° | 180.0° |
| N28 | C27 | C26 | O33 | 180.0° | 179.9° |
| N28 | C27 | C26 | C31 | 180.0° | 180.0° |
| N28 | C27 | O33 | C32 | 180.0° | 179.9° |
| C27 | N28 | C29 | H17 | 179.6° | 180.0° |
| C27 | C26 | C31 | C34 | 179.6° | 180.0° |
| C27 | C26 | C31 | C32 | 0.0° | 0.1° |
| C26 | C27 | O33 | C32 | 0.0° | 0.0° |
| C31 | C26 | C27 | O33 | 0.0° | 0.0° |
| C26 | C31 | C34 | C39 | 113.0° | 115.0° |
| C26 | C31 | C34 | C32 | 179.5° | 180.0° |
| C26 | C31 | C32 | O33 | 0.0° | 0.0° |
| C26 | C31 | C34 | C35 | 66.2° | 65.6° |
| C26 | C31 | C32 | C40 | 179.9° | 180.0° |
| C27 | O33 | C32 | C31 | 0.0° | 0.0° |
| C27 | O33 | C32 | C40 | 179.9° | 180.0° |
| N41 | C38 | C39 | C37 | 179.9° | 180.0° |
| N41 | C38 | C39 | C34 | 179.8° | 179.7° |
| N41 | C38 | C37 | C36 | 180.0° | 180.0° |
| N41 | C38 | C37 | H7 | 0.0° | 0.0° |
| N41 | C38 | C39 | H8 | 0.3° | 0.1° |
| C38 | N41 | H23 | H24 | 120.0° | 179.8° |
| C38 | C39 | C34 | H8 | 180.0° | 179.8° |
| C38 | C39 | C34 | C31 | 179.7° | 180.0° |
| C38 | C39 | C34 | C35 | 0.5° | 0.5° |
| C39 | C38 | C37 | C36 | 0.0° | 0.1° |
| C39 | C38 | C37 | H7 | 180.0° | 180.0° |
| C39 | C38 | N41 | H23 | 180.0° | 179.9° |
| C39 | C38 | N41 | H24 | 60.0° | 0.1° |
| C39 | C34 | C31 | C35 | 179.2° | 179.5° |
| C39 | C34 | C31 | C32 | 66.5° | 65.0° |
| C34 | C39 | C38 | C37 | 0.2° | 0.2° |
| C39 | C34 | C35 | C36 | 0.7° | 0.6° |
| C39 | C34 | C35 | H5 | 179.3° | 179.8° |
| C34 | C31 | C32 | O33 | 179.6° | 180.0° |
| C31 | C34 | C35 | C36 | 179.8° | 179.9° |
| C34 | C31 | C32 | C40 | 0.2° | 0.0° |
| C31 | C34 | C35 | H5 | 0.1° | 0.3° |
| C31 | C34 | C39 | H8 | 0.3° | 0.2° |
| C31 | C32 | O33 | C40 | 179.9° | 180.0° |
| C32 | C31 | C34 | C35 | 114.3° | 114.5° |
| C31 | C32 | C40 | C45 | 162.4° | 180.0° |
| C31 | C32 | C40 | C42 | 18.3° | 0.3° |
| O33 | C32 | C40 | C45 | 17.4° | 0.0° |
| O33 | C32 | C40 | C42 | 161.9° | 179.6° |
| C38 | C37 | C36 | H7 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C38 | C37 | C36 | H6 | 179.9° | 179.9° |
| C37 | C38 | C39 | H8 | 179.8° | 180.0° |
| C37 | C38 | N41 | H23 | 0.0° | 0.1° |
| C37 | C38 | N41 | H24 | 120.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.4° | 0.3° |
| C34 | C35 | C36 | H5 | 180.0° | 179.7° |
| C34 | C35 | C36 | H6 | 179.6° | 179.8° |
| C35 | C34 | C39 | H8 | 179.5° | 179.7° |
| C37 | C36 | C35 | H6 | 180.0° | 179.9° |
| C37 | C36 | C35 | H5 | 179.5° | 180.0° |
| C35 | C36 | C37 | H7 | 179.9° | 179.9° |
| C32 | C40 | C45 | C42 | 179.4° | 179.7° |
| C32 | C40 | C45 | N44 | 179.7° | 179.7° |
| C32 | C40 | C42 | N43 | 179.7° | 179.7° |
| C32 | C40 | C42 | H9 | 0.3° | 0.3° |
| C32 | C40 | C45 | H18 | 0.3° | 0.3° |
| C40 | C45 | N44 | H18 | 180.0° | 180.0° |
| C45 | C40 | C42 | N43 | 0.3° | 0.0° |
| C40 | C45 | N44 | N43 | 0.1° | 0.0° |
| C40 | C45 | N44 | C46 | 179.8° | 180.0° |
| C45 | C40 | C42 | H9 | 179.7° | 180.0° |
| C42 | C40 | C45 | N44 | 0.3° | 0.0° |
| C40 | C42 | N43 | H9 | 180.0° | 180.0° |
| C40 | C42 | N43 | N44 | 0.2° | 0.0° |
| C42 | C40 | C45 | H18 | 179.7° | 180.0° |
| C45 | N44 | N43 | C42 | 0.1° | 0.0° |
| C45 | N44 | N43 | C46 | 180.0° | 180.0° |
| C45 | N44 | C46 | H19 | 179.9° | 90.1° |
| C45 | N44 | C46 | H20 | 60.1° | 150.0° |
| C45 | N44 | C46 | H21 | 60.0° | 30.0° |
| C42 | N43 | N44 | C46 | 180.0° | 180.0° |
| N44 | N43 | C42 | H9 | 179.8° | 180.0° |
| N43 | N44 | C45 | H18 | 179.8° | 180.0° |
| N43 | N44 | C46 | H19 | 0.0° | 89.9° |
| N43 | N44 | C46 | H20 | 120.0° | 30.0° |
| N43 | N44 | C46 | H21 | 120.0° | 150.0° |
| C46 | N44 | C45 | H18 | 0.2° | 0.0° |
| N44 | C46 | H19 | H20 | 120.0° | 120.0° |
| N44 | C46 | H19 | H21 | 120.0° | 120.0° |
| N44 | C46 | H20 | H21 | 120.0° | 120.0° |
| H1 | C10 | C09 | H15 | 0.0° | 0.2° |
| H2 | C19 | C20 | H16 | 0.3° | 0.0° |
| H3 | C22 | C23 | H4 | 0.2° | 0.0° |
| H5 | C35 | C36 | H6 | 0.4° | 0.1° |
| H6 | C36 | C37 | H7 | 0.1° | 0.0° |
| H10 | C02 | C03 | H11 | 0.1° | 0.0° |
| H12 | C05 | C06 | H13 | 0.2° | 0.2° |
| H14 | C08 | C09 | H15 | 0.0° | 0.0° |
| H19 | C46 | H20 | H21 | 119.9° | 120.0° |
