1L0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C27 | doub | 1.21Å | 1.19Å | |
| C31 | N28 | sing | 1.47Å | 1.46Å | |
| C27 | N28 | sing | 1.35Å | 1.46Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| N28 | C30 | sing | 1.46Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C02 | sing | 1.51Å | 1.55Å | |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.44Å | Aromatic |
| C01 | N06 | doub | 1.32Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.37Å | Aromatic |
| C04 | C05 | doub | 1.41Å | 1.37Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.44Å | |
| N24 | C07 | sing | 1.37Å | 1.46Å | |
| C05 | N10 | sing | 1.38Å | 1.38Å | |
| C07 | C08 | doub | 1.40Å | 1.40Å | |
| N10 | O11 | sing | 1.42Å | 1.42Å | |
| N10 | C09 | sing | 1.34Å | 1.34Å | |
| C08 | C09 | sing | 1.42Å | 1.41Å | |
| C08 | C13 | sing | 1.47Å | 1.55Å | |
| O15 | C13 | doub | 1.22Å | 1.18Å | |
| C09 | O12 | doub | 1.22Å | 1.40Å | |
| C13 | N14 | sing | 1.35Å | 1.46Å | |
| N14 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C17 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| F32 | C18 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | F23 | sing | 1.35Å | 1.37Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å | |
| N24 | H19 | sing | 0.97Å | 1.00Å | |
| N24 | H20 | sing | 0.97Å | 1.00Å | |
| O11 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C27 | N28 | 120.2° | 120.0° |
| O29 | C27 | C26 | 120.1° | 120.1° |
| C31 | N28 | C27 | 120.3° | 120.0° |
| C31 | N28 | C30 | 119.7° | 120.0° |
| N28 | C31 | H15 | 109.5° | 109.4° |
| N28 | C31 | H16 | 109.4° | 109.5° |
| N28 | C31 | H17 | 109.5° | 109.5° |
| N28 | C27 | C26 | 119.7° | 119.9° |
| C27 | N28 | C30 | 120.0° | 120.0° |
| C27 | C26 | C25 | 113.1° | 109.4° |
| C27 | C26 | H3 | 108.6° | 109.4° |
| C27 | C26 | H4 | 108.6° | 109.5° |
| N28 | C30 | H12 | 109.5° | 109.5° |
| N28 | C30 | H13 | 109.5° | 109.5° |
| N28 | C30 | H14 | 109.5° | 109.4° |
| C26 | C25 | C02 | 111.4° | 109.5° |
| C25 | C26 | H3 | 108.5° | 109.5° |
| C25 | C26 | H4 | 108.6° | 109.4° |
| C26 | C25 | H10 | 109.0° | 109.5° |
| C26 | C25 | H11 | 109.0° | 109.5° |
| C25 | C02 | C03 | 120.7° | 120.3° |
| C25 | C02 | C01 | 121.2° | 120.3° |
| C02 | C25 | H10 | 109.0° | 109.4° |
| C02 | C25 | H11 | 109.0° | 109.5° |
| C03 | C02 | C01 | 118.2° | 119.4° |
| C02 | C03 | C04 | 119.5° | 118.0° |
| C02 | C03 | H6 | 120.3° | 121.0° |
| C02 | C01 | N06 | 121.1° | 121.6° |
| C02 | C01 | H5 | 119.5° | 119.3° |
| C03 | C04 | C05 | 119.0° | 119.5° |
| C03 | C04 | C07 | 122.0° | 121.2° |
| C04 | C03 | H6 | 120.3° | 121.0° |
| C01 | N06 | C05 | 122.1° | 121.7° |
| N06 | C01 | H5 | 119.5° | 119.1° |
| N06 | C05 | C04 | 120.1° | 119.8° |
| N06 | C05 | N10 | 118.6° | 120.4° |
| C05 | C04 | C07 | 119.0° | 119.3° |
| C04 | C05 | N10 | 121.3° | 119.8° |
| C04 | C07 | N24 | 120.8° | 121.0° |
| C04 | C07 | C08 | 118.8° | 118.0° |
| N24 | C07 | C08 | 120.5° | 121.0° |
| C07 | N24 | H19 | 109.5° | 120.0° |
| C07 | N24 | H20 | 109.5° | 120.0° |
| C05 | N10 | O11 | 119.6° | 119.1° |
| C05 | N10 | C09 | 120.9° | 121.8° |
| C07 | C08 | C09 | 119.0° | 119.3° |
| C07 | C08 | C13 | 118.2° | 120.4° |
| O11 | N10 | C09 | 119.6° | 119.1° |
| N10 | O11 | H21 | 109.5° | 114.0° |
| N10 | C09 | C08 | 121.0° | 121.8° |
| N10 | C09 | O12 | 119.3° | 119.1° |
| C09 | C08 | C13 | 122.8° | 120.3° |
| C08 | C09 | O12 | 119.7° | 119.1° |
| C08 | C13 | O15 | 119.0° | 120.0° |
| C08 | C13 | N14 | 121.5° | 120.0° |
| O15 | C13 | N14 | 119.4° | 120.0° |
| C13 | N14 | C16 | 119.8° | 120.0° |
| C13 | N14 | H18 | 120.1° | 120.0° |
| N14 | C16 | C17 | 111.9° | 109.5° |
| N14 | C16 | H7 | 108.9° | 109.5° |
| N14 | C16 | H8 | 108.9° | 109.5° |
| C16 | N14 | H18 | 120.1° | 120.0° |
| C16 | C17 | C22 | 119.7° | 120.0° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H7 | 108.9° | 109.5° |
| C17 | C16 | H8 | 108.9° | 109.5° |
| C22 | C17 | C18 | 120.2° | 120.0° |
| C17 | C22 | C21 | 119.6° | 120.1° |
| C17 | C22 | H2 | 120.2° | 120.0° |
| C17 | C18 | F32 | 119.8° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | H1 | 119.9° | 120.0° |
| C21 | C22 | H2 | 120.2° | 120.0° |
| F32 | C18 | C19 | 120.0° | 120.0° |
| C18 | C19 | C20 | 119.6° | 120.0° |
| C18 | C19 | H9 | 120.2° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C21 | C20 | F23 | 119.9° | 120.0° |
| C20 | C21 | H1 | 119.9° | 120.0° |
| C19 | C20 | F23 | 120.0° | 120.1° |
| C20 | C19 | H9 | 120.2° | 120.0° |
| H3 | C26 | H4 | 109.4° | 109.5° |
| H7 | C16 | H8 | 109.4° | 109.5° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H12 | C30 | H13 | 109.5° | 109.5° |
| H12 | C30 | H14 | 109.4° | 109.4° |
| H13 | C30 | H14 | 109.4° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.5° |
| H15 | C31 | H17 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
| H19 | N24 | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C27 | N28 | C31 | 0.2° | 0.1° |
| O29 | C27 | N28 | C26 | 179.8° | 180.0° |
| O29 | C27 | N28 | C30 | 179.9° | 180.0° |
| O29 | C27 | C26 | C25 | 4.6° | 0.0° |
| O29 | C27 | C26 | H3 | 125.2° | 119.9° |
| O29 | C27 | C26 | H4 | 115.9° | 120.0° |
| C31 | N28 | C27 | C30 | 179.9° | 179.9° |
| C31 | N28 | C27 | C26 | 180.0° | 179.9° |
| C31 | N28 | C30 | H12 | 180.0° | 90.0° |
| C31 | N28 | C30 | H13 | 60.0° | 30.0° |
| C31 | N28 | C30 | H14 | 60.0° | 150.1° |
| N28 | C31 | H15 | H16 | 120.0° | 120.0° |
| N28 | C31 | H15 | H17 | 120.0° | 119.9° |
| N28 | C31 | H16 | H17 | 120.0° | 120.0° |
| N28 | C27 | C26 | C25 | 175.2° | 180.0° |
| N28 | C27 | C26 | H3 | 54.7° | 60.0° |
| N28 | C27 | C26 | H4 | 64.2° | 60.0° |
| C27 | N28 | C30 | H12 | 0.1° | 89.9° |
| C27 | N28 | C30 | H13 | 120.1° | 150.0° |
| C27 | N28 | C30 | H14 | 119.9° | 30.0° |
| C27 | N28 | C31 | H15 | 180.0° | 90.0° |
| C27 | N28 | C31 | H16 | 60.0° | 150.0° |
| C27 | N28 | C31 | H17 | 60.0° | 29.9° |
| C26 | C27 | N28 | C30 | 0.1° | 0.0° |
| C27 | C26 | C25 | H3 | 120.6° | 119.9° |
| C27 | C26 | C25 | H4 | 120.6° | 120.0° |
| C27 | C26 | C25 | C02 | 173.7° | 179.9° |
| C27 | C26 | H3 | H4 | 118.3° | 120.1° |
| C27 | C26 | C25 | H10 | 53.5° | 60.0° |
| C27 | C26 | C25 | H11 | 66.0° | 60.0° |
| N28 | C30 | H12 | H13 | 120.0° | 120.0° |
| N28 | C30 | H12 | H14 | 120.0° | 120.0° |
| N28 | C30 | H13 | H14 | 120.0° | 120.0° |
| C30 | N28 | C31 | H15 | 0.1° | 90.1° |
| C30 | N28 | C31 | H16 | 120.1° | 29.9° |
| C30 | N28 | C31 | H17 | 119.9° | 150.0° |
| C26 | C25 | C02 | H10 | 120.3° | 120.0° |
| C26 | C25 | C02 | H11 | 120.3° | 120.0° |
| C26 | C25 | C02 | C03 | 96.5° | 90.0° |
| C26 | C25 | C02 | C01 | 83.2° | 90.0° |
| C25 | C26 | H3 | H4 | 118.3° | 120.0° |
| C26 | C25 | H10 | H11 | 119.1° | 120.0° |
| C25 | C02 | C03 | C01 | 179.7° | 180.0° |
| C25 | C02 | C03 | C04 | 179.9° | 180.0° |
| C25 | C02 | C01 | N06 | 179.6° | 180.0° |
| C02 | C25 | C26 | H3 | 65.7° | 60.0° |
| C02 | C25 | C26 | H4 | 53.2° | 60.0° |
| C25 | C02 | C01 | H5 | 0.4° | 0.3° |
| C25 | C02 | C03 | H6 | 0.1° | 0.1° |
| C02 | C25 | H10 | H11 | 119.2° | 120.0° |
| C02 | C03 | C04 | H6 | 180.0° | 179.9° |
| C03 | C02 | C01 | N06 | 0.7° | 0.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | C07 | 179.9° | 180.0° |
| C03 | C02 | C01 | H5 | 179.3° | 179.7° |
| C03 | C02 | C25 | H10 | 143.2° | 29.9° |
| C03 | C02 | C25 | H11 | 23.8° | 150.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C01 | N06 | H5 | 180.0° | 179.8° |
| C02 | C01 | N06 | C05 | 1.0° | 0.1° |
| C01 | C02 | C03 | H6 | 179.9° | 179.9° |
| C01 | C02 | C25 | H10 | 37.1° | 150.1° |
| C01 | C02 | C25 | H11 | 156.5° | 30.0° |
| C03 | C04 | C05 | N06 | 0.3° | 0.0° |
| C03 | C04 | C05 | C07 | 180.0° | 180.0° |
| C03 | C04 | C07 | N24 | 0.1° | 0.0° |
| C03 | C04 | C05 | N10 | 180.0° | 179.9° |
| C03 | C04 | C07 | C08 | 179.9° | 180.0° |
| C01 | N06 | C05 | C04 | 0.9° | 0.1° |
| C01 | N06 | C05 | N10 | 179.4° | 180.0° |
| N06 | C05 | C04 | N10 | 179.7° | 179.9° |
| N06 | C05 | C04 | C07 | 179.6° | 179.9° |
| N06 | C05 | N10 | O11 | 0.7° | 0.1° |
| N06 | C05 | N10 | C09 | 179.5° | 180.0° |
| C05 | N06 | C01 | H5 | 178.9° | 179.7° |
| C05 | C04 | C07 | N24 | 179.9° | 180.0° |
| C05 | C04 | C07 | C08 | 0.1° | 0.0° |
| C04 | C05 | N10 | O11 | 179.6° | 180.0° |
| C04 | C05 | N10 | C09 | 0.2° | 0.1° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C04 | C07 | N24 | C08 | 180.0° | 180.0° |
| C07 | C04 | C05 | N10 | 0.1° | 0.0° |
| C04 | C07 | C08 | C09 | 0.2° | 0.1° |
| C04 | C07 | C08 | C13 | 179.7° | 180.0° |
| C07 | C04 | C03 | H6 | 0.0° | 0.1° |
| C04 | C07 | N24 | H19 | 180.0° | 21.5° |
| C04 | C07 | N24 | H20 | 60.0° | 158.4° |
| N24 | C07 | C08 | C09 | 179.8° | 180.0° |
| N24 | C07 | C08 | C13 | 0.3° | 0.0° |
| C07 | N24 | H19 | H20 | 120.0° | 180.0° |
| C05 | N10 | O11 | C09 | 179.8° | 179.9° |
| C05 | N10 | C09 | C08 | 0.3° | 0.2° |
| C05 | N10 | C09 | O12 | 179.8° | 179.9° |
| C05 | N10 | O11 | H21 | 179.8° | 179.9° |
| C07 | C08 | C09 | N10 | 0.3° | 0.1° |
| C07 | C08 | C09 | C13 | 179.5° | 179.9° |
| C07 | C08 | C13 | O15 | 11.5° | 6.3° |
| C07 | C08 | C09 | O12 | 179.8° | 180.0° |
| C07 | C08 | C13 | N14 | 167.8° | 173.4° |
| C08 | C07 | N24 | H19 | 0.0° | 158.5° |
| C08 | C07 | N24 | H20 | 120.0° | 21.5° |
| O11 | N10 | C09 | C08 | 179.5° | 180.0° |
| O11 | N10 | C09 | O12 | 0.0° | 0.1° |
| N10 | C09 | C08 | O12 | 179.5° | 179.9° |
| N10 | C09 | C08 | C13 | 179.8° | 179.9° |
| C09 | N10 | O11 | H21 | 0.0° | 0.1° |
| C09 | C08 | C13 | O15 | 169.0° | 173.7° |
| C09 | C08 | C13 | N14 | 11.7° | 6.6° |
| C08 | C13 | O15 | N14 | 179.3° | 179.7° |
| C13 | C08 | C09 | O12 | 0.7° | 0.0° |
| C08 | C13 | N14 | C16 | 179.3° | 174.6° |
| C08 | C13 | N14 | H18 | 0.7° | 5.5° |
| O15 | C13 | N14 | C16 | 0.0° | 5.1° |
| O15 | C13 | N14 | H18 | 180.0° | 174.8° |
| C13 | N14 | C16 | H18 | 180.0° | 179.9° |
| C13 | N14 | C16 | C17 | 101.4° | 180.0° |
| C13 | N14 | C16 | H7 | 138.2° | 60.0° |
| C13 | N14 | C16 | H8 | 19.0° | 60.0° |
| N14 | C16 | C17 | H7 | 120.4° | 120.0° |
| N14 | C16 | C17 | H8 | 120.4° | 120.0° |
| N14 | C16 | C17 | C22 | 126.8° | 105.0° |
| N14 | C16 | C17 | C18 | 53.7° | 74.7° |
| N14 | C16 | H7 | H8 | 118.9° | 120.0° |
| C16 | C17 | C22 | C18 | 179.5° | 179.7° |
| C16 | C17 | C22 | C21 | 179.9° | 179.7° |
| C16 | C17 | C18 | F32 | 0.4° | 0.3° |
| C16 | C17 | C18 | C19 | 180.0° | 179.7° |
| C16 | C17 | C22 | H2 | 0.1° | 0.3° |
| C17 | C16 | H7 | H8 | 118.9° | 120.0° |
| C17 | C16 | N14 | H18 | 78.6° | 0.0° |
| C17 | C22 | C21 | H2 | 180.0° | 180.0° |
| C22 | C17 | C18 | F32 | 179.9° | 180.0° |
| C22 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | C22 | C21 | C20 | 0.2° | 0.0° |
| C17 | C22 | C21 | H1 | 179.8° | 180.0° |
| C22 | C17 | C16 | H7 | 112.9° | 135.0° |
| C22 | C17 | C16 | H8 | 6.4° | 15.0° |
| C18 | C17 | C22 | C21 | 0.4° | 0.0° |
| C17 | C18 | F32 | C19 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | C22 | H2 | 179.6° | 180.0° |
| C18 | C17 | C16 | H7 | 66.6° | 45.3° |
| C18 | C17 | C16 | H8 | 174.1° | 165.3° |
| C17 | C18 | C19 | H9 | 179.7° | 180.0° |
| C22 | C21 | C20 | H1 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C22 | C21 | C20 | F23 | 180.0° | 180.0° |
| F32 | C18 | C19 | C20 | 180.0° | 180.0° |
| F32 | C18 | C19 | H9 | 0.1° | 0.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| C18 | C19 | C20 | F23 | 179.9° | 180.0° |
| C21 | C20 | C19 | F23 | 180.0° | 180.0° |
| C20 | C21 | C22 | H2 | 179.9° | 179.9° |
| C21 | C20 | C19 | H9 | 179.9° | 180.0° |
| C19 | C20 | C21 | H1 | 180.0° | 180.0° |
| F23 | C20 | C21 | H1 | 0.0° | 0.0° |
| F23 | C20 | C19 | H9 | 0.1° | 0.0° |
| H1 | C21 | C22 | H2 | 0.1° | 0.0° |
| H3 | C26 | C25 | H10 | 174.0° | 59.9° |
| H3 | C26 | C25 | H11 | 54.6° | 180.0° |
| H4 | C26 | C25 | H10 | 67.1° | 179.9° |
| H4 | C26 | C25 | H11 | 173.5° | 60.0° |
| H7 | C16 | N14 | H18 | 41.8° | 120.0° |
| H8 | C16 | N14 | H18 | 161.0° | 120.0° |
| H12 | C30 | H13 | H14 | 119.9° | 119.9° |
| H15 | C31 | H16 | H17 | 120.0° | 120.0° |
