8L5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | O04 | sing | 1.45Å | 1.41Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| O01 | P01 | doub | 1.48Å | 1.52Å | |
| P01 | N01 | sing | 1.68Å | 1.66Å | |
| P01 | O03 | sing | 1.61Å | 1.50Å | |
| P01 | C08 | sing | 1.82Å | 1.83Å | |
| N01 | C01 | sing | 1.47Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C06 | sing | 1.51Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C05 | sing | 1.53Å | 1.51Å | |
| C06 | O02 | doub | 1.21Å | 1.20Å | |
| C06 | N02 | sing | 1.35Å | 1.39Å | |
| C08 | N04 | sing | 1.47Å | 1.43Å | |
| N04 | C09 | sing | 1.35Å | 1.38Å | |
| C09 | O04 | sing | 1.35Å | 1.38Å | |
| C09 | O05 | doub | 1.22Å | 1.20Å | |
| N02 | C07 | sing | 1.47Å | 1.46Å | |
| C07 | N03 | sing | 1.47Å | 1.38Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| N01 | H01 | sing | 1.01Å | 1.00Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H03 | sing | 1.09Å | 1.10Å | |
| C02 | H04 | sing | 1.09Å | 1.10Å | |
| C03 | H05 | sing | 1.09Å | 1.10Å | |
| C04 | H06 | sing | 1.09Å | 1.10Å | |
| C04 | H08 | sing | 1.09Å | 1.10Å | |
| C04 | H07 | sing | 1.09Å | 1.10Å | |
| C05 | H09 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| N04 | H20 | sing | 0.97Å | 1.00Å | |
| N02 | H12 | sing | 0.97Å | 1.00Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| N03 | H16 | sing | 1.01Å | 1.00Å | |
| N03 | H3 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O04 | 110.4° | 109.5° |
| C10 | C11 | C12 | 121.7° | 120.0° |
| C10 | C11 | C16 | 120.3° | 120.0° |
| C11 | C10 | H22 | 109.2° | 109.5° |
| C11 | C10 | H21 | 109.3° | 109.5° |
| C10 | O04 | C09 | 117.8° | 117.0° |
| O04 | C10 | H22 | 109.3° | 109.4° |
| O04 | C10 | H21 | 109.2° | 109.5° |
| C12 | C11 | C16 | 118.1° | 120.0° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | H23 | 119.7° | 120.0° |
| C11 | C16 | C15 | 120.7° | 120.0° |
| C11 | C16 | H27 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C13 | C12 | H23 | 119.7° | 120.0° |
| C12 | C13 | H24 | 119.6° | 120.0° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C14 | C13 | H24 | 119.6° | 120.0° |
| C13 | C14 | H25 | 120.3° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C15 | C14 | H25 | 120.2° | 120.0° |
| C14 | C15 | H26 | 119.9° | 120.0° |
| C16 | C15 | H26 | 119.9° | 120.0° |
| C15 | C16 | H27 | 119.7° | 119.9° |
| O01 | P01 | N01 | 107.4° | 109.5° |
| O01 | P01 | O03 | 110.8° | 109.5° |
| O01 | P01 | C08 | 110.4° | 109.5° |
| N01 | P01 | O03 | 114.6° | 109.5° |
| N01 | P01 | C08 | 104.4° | 109.4° |
| P01 | N01 | C01 | 120.3° | 111.0° |
| P01 | N01 | H01 | 106.7° | 111.0° |
| O03 | P01 | C08 | 108.9° | 109.5° |
| P01 | O03 | H2 | 109.5° | 114.0° |
| P01 | C08 | N04 | 109.9° | 109.4° |
| P01 | C08 | H18 | 109.4° | 109.4° |
| P01 | C08 | H19 | 109.3° | 109.4° |
| N01 | C01 | C02 | 109.3° | 109.4° |
| N01 | C01 | C06 | 111.0° | 109.5° |
| C01 | N01 | H01 | 106.7° | 111.0° |
| N01 | C01 | H02 | 109.9° | 109.5° |
| C02 | C01 | C06 | 108.1° | 109.4° |
| C01 | C02 | C03 | 115.3° | 109.4° |
| C02 | C01 | H02 | 109.2° | 109.5° |
| C01 | C02 | H03 | 108.0° | 109.5° |
| C01 | C02 | H04 | 108.0° | 109.5° |
| C01 | C06 | O02 | 123.4° | 120.0° |
| C01 | C06 | N02 | 114.9° | 120.0° |
| C06 | C01 | H02 | 109.3° | 109.5° |
| C02 | C03 | C04 | 111.9° | 109.5° |
| C02 | C03 | C05 | 111.5° | 109.5° |
| C03 | C02 | H03 | 108.0° | 109.4° |
| C03 | C02 | H04 | 108.0° | 109.5° |
| C02 | C03 | H05 | 107.6° | 109.4° |
| C04 | C03 | C05 | 110.7° | 109.5° |
| C04 | C03 | H05 | 107.4° | 109.5° |
| C03 | C04 | H06 | 109.5° | 109.5° |
| C03 | C04 | H08 | 109.5° | 109.5° |
| C03 | C04 | H07 | 109.5° | 109.4° |
| C05 | C03 | H05 | 107.6° | 109.4° |
| C03 | C05 | H09 | 109.5° | 109.5° |
| C03 | C05 | H11 | 109.5° | 109.5° |
| C03 | C05 | H10 | 109.5° | 109.4° |
| O02 | C06 | N02 | 121.5° | 120.0° |
| C06 | N02 | C07 | 123.5° | 120.0° |
| C06 | N02 | H12 | 118.3° | 120.0° |
| C08 | N04 | C09 | 125.0° | 120.0° |
| N04 | C08 | H18 | 109.4° | 109.5° |
| N04 | C08 | H19 | 109.4° | 109.5° |
| C08 | N04 | H20 | 117.5° | 120.0° |
| N04 | C09 | O04 | 110.6° | 120.0° |
| N04 | C09 | O05 | 122.9° | 120.0° |
| C09 | N04 | H20 | 117.5° | 120.0° |
| O04 | C09 | O05 | 126.5° | 120.0° |
| N02 | C07 | N03 | 110.0° | 109.5° |
| C07 | N02 | H12 | 118.3° | 120.0° |
| N02 | C07 | H13 | 109.3° | 109.5° |
| N02 | C07 | H14 | 109.3° | 109.4° |
| N03 | C07 | H13 | 109.3° | 109.5° |
| N03 | C07 | H14 | 109.3° | 109.4° |
| C07 | N03 | H16 | 109.5° | 111.0° |
| C07 | N03 | H3 | 109.5° | 111.1° |
| H22 | C10 | H21 | 109.5° | 109.5° |
| H03 | C02 | H04 | 109.5° | 109.5° |
| H06 | C04 | H08 | 109.5° | 109.5° |
| H06 | C04 | H07 | 109.5° | 109.4° |
| H08 | C04 | H07 | 109.5° | 109.5° |
| H09 | C05 | H11 | 109.5° | 109.5° |
| H09 | C05 | H10 | 109.4° | 109.5° |
| H11 | C05 | H10 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H16 | N03 | H3 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O04 | H22 | 120.1° | 120.0° |
| C11 | C10 | O04 | H21 | 120.1° | 120.0° |
| C10 | C11 | C12 | C16 | 179.1° | 179.7° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C16 | C15 | 179.6° | 179.8° |
| C11 | C10 | O04 | C09 | 106.3° | 180.0° |
| C11 | C10 | H22 | H21 | 119.6° | 120.0° |
| C10 | C11 | C12 | H23 | 0.5° | 0.1° |
| C10 | C11 | C16 | H27 | 0.5° | 0.1° |
| O04 | C10 | C11 | C12 | 61.0° | 90.0° |
| O04 | C10 | C11 | C16 | 118.1° | 90.3° |
| C10 | O04 | C09 | N04 | 171.9° | 180.0° |
| C10 | O04 | C09 | O05 | 7.5° | 0.0° |
| O04 | C10 | H22 | H21 | 119.6° | 120.0° |
| C11 | C12 | C13 | H23 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C16 | C15 | 1.3° | 0.5° |
| C12 | C11 | C10 | H22 | 59.2° | 150.0° |
| C12 | C11 | C10 | H21 | 178.9° | 30.0° |
| C11 | C12 | C13 | H24 | 180.0° | 180.0° |
| C12 | C11 | C16 | H27 | 178.7° | 179.7° |
| C16 | C11 | C12 | C13 | 1.4° | 0.3° |
| C11 | C16 | C15 | C14 | 0.2° | 0.5° |
| C11 | C16 | C15 | H27 | 180.0° | 179.7° |
| C16 | C11 | C10 | H22 | 121.8° | 29.7° |
| C16 | C11 | C10 | H21 | 2.0° | 149.7° |
| C16 | C11 | C12 | H23 | 178.6° | 179.8° |
| C11 | C16 | C15 | H26 | 179.8° | 179.7° |
| C12 | C13 | C14 | H24 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.6° | 0.0° |
| C12 | C13 | C14 | H25 | 178.4° | 180.0° |
| C13 | C14 | C15 | H25 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.7° | 0.2° |
| C14 | C13 | C12 | H23 | 180.0° | 180.0° |
| C13 | C14 | C15 | H26 | 178.4° | 180.0° |
| C14 | C15 | C16 | H26 | 180.0° | 179.9° |
| C15 | C14 | C13 | H24 | 178.4° | 180.0° |
| C14 | C15 | C16 | H27 | 179.8° | 179.8° |
| C16 | C15 | C14 | H25 | 178.3° | 179.8° |
| O01 | P01 | N01 | O03 | 123.6° | 120.0° |
| O01 | P01 | N01 | C08 | 117.3° | 120.0° |
| O01 | P01 | O03 | C08 | 121.7° | 120.0° |
| O01 | P01 | N01 | C01 | 31.3° | 55.2° |
| O01 | P01 | C08 | N04 | 82.0° | 60.0° |
| O01 | P01 | N01 | H01 | 152.8° | 179.1° |
| O01 | P01 | O03 | H2 | 0.0° | 175.1° |
| O01 | P01 | C08 | H18 | 38.0° | 60.0° |
| O01 | P01 | C08 | H19 | 157.9° | 180.0° |
| N01 | P01 | O03 | C08 | 116.5° | 120.0° |
| P01 | N01 | C01 | H01 | 121.5° | 124.0° |
| P01 | N01 | C01 | C02 | 149.6° | 95.2° |
| P01 | N01 | C01 | C06 | 91.3° | 144.9° |
| N01 | P01 | C08 | N04 | 162.8° | 180.0° |
| P01 | N01 | C01 | H02 | 29.7° | 24.9° |
| N01 | P01 | O03 | H2 | 121.8° | 55.1° |
| N01 | P01 | C08 | H18 | 77.2° | 60.0° |
| N01 | P01 | C08 | H19 | 42.7° | 60.0° |
| O03 | P01 | N01 | C01 | 92.4° | 64.8° |
| O03 | P01 | C08 | N04 | 39.9° | 60.0° |
| O03 | P01 | N01 | H01 | 29.1° | 59.1° |
| O03 | P01 | C08 | H18 | 160.0° | 180.0° |
| O03 | P01 | C08 | H19 | 80.2° | 60.0° |
| C08 | P01 | N01 | C01 | 148.6° | 175.1° |
| P01 | C08 | N04 | H18 | 120.1° | 120.0° |
| P01 | C08 | N04 | H19 | 120.0° | 119.9° |
| P01 | C08 | N04 | C09 | 149.8° | 95.1° |
| C08 | P01 | N01 | H01 | 89.9° | 60.9° |
| C08 | P01 | O03 | H2 | 121.7° | 64.9° |
| P01 | C08 | H18 | H19 | 119.8° | 120.0° |
| P01 | C08 | N04 | H20 | 30.2° | 85.1° |
| N01 | C01 | C02 | C06 | 120.9° | 119.9° |
| N01 | C01 | C02 | H02 | 120.3° | 120.0° |
| N01 | C01 | C06 | H02 | 121.4° | 120.1° |
| N01 | C01 | C02 | C03 | 177.8° | 174.3° |
| N01 | C01 | C06 | O02 | 147.8° | 13.8° |
| N01 | C01 | C06 | N02 | 36.8° | 166.1° |
| N01 | C01 | C02 | H03 | 56.9° | 54.4° |
| N01 | C01 | C02 | H04 | 61.4° | 65.7° |
| C02 | C01 | C06 | H02 | 118.8° | 120.0° |
| C01 | C02 | C03 | H03 | 120.8° | 120.0° |
| C01 | C02 | C03 | H04 | 120.9° | 120.0° |
| C01 | C02 | C03 | C04 | 68.6° | 67.0° |
| C01 | C02 | C03 | C05 | 166.9° | 173.0° |
| C02 | C01 | C06 | O02 | 92.4° | 106.2° |
| C02 | C01 | C06 | N02 | 83.0° | 74.0° |
| C02 | C01 | N01 | H01 | 28.0° | 28.8° |
| C01 | C02 | H03 | H04 | 117.4° | 120.1° |
| C01 | C02 | C03 | H05 | 49.2° | 53.1° |
| C06 | C01 | C02 | C03 | 61.4° | 65.7° |
| C01 | C06 | O02 | N02 | 175.1° | 179.9° |
| C01 | C06 | N02 | C07 | 174.7° | 175.0° |
| C06 | C01 | N01 | H01 | 147.1° | 91.1° |
| C06 | C01 | C02 | H03 | 177.8° | 174.3° |
| C06 | C01 | C02 | H04 | 59.5° | 54.3° |
| C01 | C06 | N02 | H12 | 5.2° | 5.0° |
| C02 | C03 | C04 | C05 | 125.0° | 120.0° |
| C02 | C03 | C04 | H05 | 117.9° | 120.0° |
| C02 | C03 | C05 | H05 | 117.8° | 119.9° |
| C03 | C02 | C01 | H02 | 57.5° | 54.3° |
| C03 | C02 | H03 | H04 | 117.3° | 120.0° |
| C02 | C03 | C04 | H06 | 180.0° | 64.1° |
| C02 | C03 | C04 | H08 | 60.0° | 175.8° |
| C02 | C03 | C04 | H07 | 60.0° | 55.8° |
| C02 | C03 | C05 | H09 | 180.0° | 60.0° |
| C02 | C03 | C05 | H11 | 60.0° | 180.0° |
| C02 | C03 | C05 | H10 | 60.0° | 60.0° |
| C04 | C03 | C05 | H05 | 117.1° | 120.1° |
| C04 | C03 | C02 | H03 | 52.3° | 53.0° |
| C04 | C03 | C02 | H04 | 170.6° | 173.0° |
| C03 | C04 | H06 | H08 | 120.0° | 120.0° |
| C03 | C04 | H06 | H07 | 120.0° | 120.0° |
| C03 | C04 | H08 | H07 | 120.0° | 120.0° |
| C04 | C03 | C05 | H09 | 54.8° | 180.0° |
| C04 | C03 | C05 | H11 | 65.2° | 60.0° |
| C04 | C03 | C05 | H10 | 174.8° | 60.0° |
| C05 | C03 | C02 | H03 | 72.2° | 67.0° |
| C05 | C03 | C02 | H04 | 46.0° | 53.0° |
| C05 | C03 | C04 | H06 | 55.0° | 55.9° |
| C05 | C03 | C04 | H08 | 175.1° | 64.2° |
| C05 | C03 | C04 | H07 | 65.0° | 175.8° |
| C03 | C05 | H09 | H11 | 120.0° | 120.0° |
| C03 | C05 | H09 | H10 | 120.0° | 120.0° |
| C03 | C05 | H11 | H10 | 120.0° | 120.0° |
| O02 | C06 | N02 | C07 | 0.8° | 4.9° |
| O02 | C06 | C01 | H02 | 26.4° | 133.8° |
| O02 | C06 | N02 | H12 | 179.3° | 175.1° |
| C06 | N02 | C07 | H12 | 180.0° | 180.0° |
| C06 | N02 | C07 | N03 | 82.2° | 95.0° |
| N02 | C06 | C01 | H02 | 158.2° | 46.1° |
| C06 | N02 | C07 | H13 | 157.7° | 145.0° |
| C06 | N02 | C07 | H14 | 37.9° | 24.9° |
| C08 | N04 | C09 | H20 | 180.0° | 179.9° |
| C08 | N04 | C09 | O04 | 178.1° | 179.9° |
| C08 | N04 | C09 | O05 | 2.4° | 0.1° |
| N04 | C08 | H18 | H19 | 119.8° | 120.1° |
| N04 | C09 | O04 | O05 | 179.4° | 180.0° |
| C09 | N04 | C08 | H18 | 29.7° | 24.9° |
| C09 | N04 | C08 | H19 | 90.2° | 145.0° |
| C09 | O04 | C10 | H22 | 13.8° | 60.0° |
| C09 | O04 | C10 | H21 | 133.6° | 60.0° |
| O04 | C09 | N04 | H20 | 1.8° | 0.1° |
| O05 | C09 | N04 | H20 | 177.6° | 180.0° |
| N02 | C07 | N03 | H13 | 120.1° | 120.0° |
| N02 | C07 | N03 | H14 | 120.1° | 119.9° |
| N02 | C07 | H13 | H14 | 119.8° | 120.0° |
| N02 | C07 | N03 | H16 | 180.0° | 180.0° |
| N02 | C07 | N03 | H3 | 60.0° | 56.0° |
| N03 | C07 | N02 | H12 | 97.8° | 85.0° |
| N03 | C07 | H13 | H14 | 119.7° | 120.0° |
| C07 | N03 | H16 | H3 | 120.0° | 124.0° |
| H23 | C12 | C13 | H24 | 0.0° | 0.0° |
| H24 | C13 | C14 | H25 | 1.6° | 0.0° |
| H25 | C14 | C15 | H26 | 1.7° | 0.1° |
| H26 | C15 | C16 | H27 | 0.2° | 0.1° |
| H01 | N01 | C01 | H02 | 91.8° | 148.8° |
| H02 | C01 | C02 | H03 | 63.3° | 65.6° |
| H02 | C01 | C02 | H04 | 178.3° | 174.3° |
| H03 | C02 | C03 | H05 | 170.0° | 173.1° |
| H04 | C02 | C03 | H05 | 71.7° | 66.9° |
| H05 | C03 | C04 | H06 | 62.1° | 175.9° |
| H05 | C03 | C04 | H08 | 57.9° | 55.8° |
| H05 | C03 | C04 | H07 | 177.8° | 64.2° |
| H05 | C03 | C05 | H09 | 62.2° | 60.0° |
| H05 | C03 | C05 | H11 | 177.7° | 60.1° |
| H05 | C03 | C05 | H10 | 57.8° | 179.9° |
| H06 | C04 | H08 | H07 | 120.0° | 120.0° |
| H09 | C05 | H11 | H10 | 120.0° | 120.0° |
| H18 | C08 | N04 | H20 | 150.3° | 155.0° |
| H19 | C08 | N04 | H20 | 89.8° | 34.9° |
| H12 | N02 | C07 | H13 | 22.3° | 35.0° |
| H12 | N02 | C07 | H14 | 142.1° | 155.0° |
| H13 | C07 | N03 | H16 | 59.9° | 60.0° |
| H13 | C07 | N03 | H3 | 179.9° | 176.0° |
| H14 | C07 | N03 | H16 | 59.9° | 60.1° |
| H14 | C07 | N03 | H3 | 60.1° | 63.9° |
