LO7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| O22 | C21 | doub | 1.21Å | 1.16Å | |
| C19 | C16 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.35Å | Aromatic |
| C11 | C09 | sing | 1.51Å | 1.54Å | |
| C11 | O12 | sing | 1.43Å | 1.39Å | |
| O10 | C09 | doub | 1.21Å | 1.18Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C21 | N23 | sing | 1.32Å | 1.65Å | |
| C09 | C06 | sing | 1.48Å | 1.51Å | |
| N05 | C04 | doub | 1.31Å | 1.29Å | Aromatic |
| N05 | C06 | sing | 1.33Å | 1.29Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.36Å | |
| C13 | C18 | doub | 1.39Å | 1.35Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.34Å | Aromatic |
| C20 | S26 | sing | 1.82Å | 1.59Å | |
| C06 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| C03 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| N23 | C24 | sing | 1.33Å | 1.52Å | |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| S26 | C24 | sing | 1.77Å | 1.64Å | |
| C24 | O25 | doub | 1.22Å | 1.18Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| N23 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 121.8° | 120.1° |
| C15 | C14 | C13 | 118.3° | 119.9° |
| C14 | C15 | H1 | 119.1° | 119.9° |
| C15 | C14 | H14 | 120.8° | 120.1° |
| C15 | C16 | C19 | 119.0° | 120.0° |
| C15 | C16 | C17 | 118.4° | 120.1° |
| C16 | C15 | H1 | 119.1° | 120.0° |
| C14 | C13 | O12 | 118.9° | 120.0° |
| C14 | C13 | C18 | 120.8° | 119.9° |
| C13 | C14 | H14 | 120.9° | 120.0° |
| O22 | C21 | C20 | 124.8° | 123.1° |
| O22 | C21 | N23 | 125.2° | 123.1° |
| C16 | C19 | C20 | 110.6° | 109.5° |
| C19 | C16 | C17 | 122.6° | 119.9° |
| C16 | C19 | H16 | 109.2° | 109.5° |
| C16 | C19 | H17 | 109.2° | 109.5° |
| C19 | C20 | C21 | 109.4° | 110.9° |
| C19 | C20 | S26 | 104.4° | 110.7° |
| C19 | C20 | H3 | 112.8° | 110.7° |
| C20 | C19 | H16 | 109.2° | 109.5° |
| C20 | C19 | H17 | 109.2° | 109.4° |
| C16 | C17 | C18 | 120.1° | 120.1° |
| C16 | C17 | H2 | 120.0° | 120.0° |
| C09 | C11 | O12 | 119.3° | 109.4° |
| C11 | C09 | O10 | 129.3° | 120.0° |
| C11 | C09 | C06 | 115.5° | 120.0° |
| C09 | C11 | H12 | 106.9° | 109.5° |
| C09 | C11 | H13 | 107.0° | 109.5° |
| C11 | O12 | C13 | 103.7° | 117.0° |
| O12 | C11 | H12 | 107.0° | 109.5° |
| O12 | C11 | H13 | 106.9° | 109.4° |
| O10 | C09 | C06 | 115.1° | 120.0° |
| C20 | C21 | N23 | 110.0° | 113.8° |
| C21 | C20 | S26 | 106.0° | 103.0° |
| C21 | C20 | H3 | 112.3° | 110.7° |
| C21 | N23 | C24 | 105.6° | 121.3° |
| C21 | N23 | H18 | 127.2° | 119.4° |
| C09 | C06 | N05 | 115.6° | 119.8° |
| C09 | C06 | C07 | 122.9° | 119.8° |
| C04 | N05 | C06 | 123.0° | 121.6° |
| N05 | C04 | C03 | 119.4° | 121.0° |
| N05 | C04 | H9 | 120.3° | 119.5° |
| N05 | C06 | C07 | 121.5° | 120.5° |
| O12 | C13 | C18 | 119.9° | 120.0° |
| C13 | C18 | C17 | 120.5° | 119.9° |
| C13 | C18 | H15 | 119.8° | 120.0° |
| C04 | C03 | C02 | 114.3° | 120.3° |
| C04 | C03 | C08 | 120.6° | 119.4° |
| C03 | C04 | H9 | 120.3° | 119.6° |
| C20 | S26 | C24 | 106.0° | 94.3° |
| S26 | C20 | H3 | 111.4° | 110.7° |
| C06 | C07 | C08 | 117.4° | 119.0° |
| C06 | C07 | H10 | 121.3° | 120.4° |
| C18 | C17 | H2 | 119.9° | 120.0° |
| C17 | C18 | H15 | 119.7° | 120.1° |
| C02 | C03 | C08 | 125.0° | 120.3° |
| C03 | C02 | C01 | 106.8° | 109.5° |
| C03 | C02 | H7 | 110.2° | 109.5° |
| C03 | C02 | H8 | 110.1° | 109.5° |
| C03 | C08 | C07 | 118.1° | 118.5° |
| C03 | C08 | H11 | 121.0° | 120.8° |
| N23 | C24 | S26 | 107.9° | 107.7° |
| N23 | C24 | O25 | 127.9° | 126.1° |
| C24 | N23 | H18 | 127.2° | 119.4° |
| C08 | C07 | H10 | 121.3° | 120.5° |
| C07 | C08 | H11 | 121.0° | 120.7° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C02 | C01 | H6 | 109.4° | 109.4° |
| C01 | C02 | H7 | 110.1° | 109.5° |
| C01 | C02 | H8 | 110.1° | 109.5° |
| S26 | C24 | O25 | 124.2° | 126.2° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H1 | 180.0° | 179.9° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | C19 | 179.1° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.4° |
| C15 | C14 | C13 | O12 | 175.8° | 180.0° |
| C15 | C14 | C13 | C18 | 3.3° | 0.3° |
| C16 | C15 | C14 | C13 | 1.1° | 0.1° |
| C15 | C16 | C19 | C17 | 178.9° | 179.7° |
| C15 | C16 | C19 | C20 | 137.1° | 90.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.4° |
| C15 | C16 | C17 | H2 | 178.5° | 179.7° |
| C16 | C15 | C14 | H14 | 179.0° | 180.0° |
| C15 | C16 | C19 | H16 | 16.9° | 30.0° |
| C15 | C16 | C19 | H17 | 102.8° | 150.1° |
| C14 | C13 | O12 | C11 | 56.6° | 0.3° |
| C14 | C13 | O12 | C18 | 172.5° | 179.7° |
| C14 | C13 | C18 | C17 | 4.7° | 0.3° |
| C13 | C14 | C15 | H1 | 179.0° | 180.0° |
| C14 | C13 | C18 | H15 | 175.3° | 179.7° |
| O22 | C21 | C20 | C19 | 55.6° | 61.6° |
| O22 | C21 | C20 | N23 | 179.7° | 180.0° |
| O22 | C21 | C20 | S26 | 167.6° | 180.0° |
| O22 | C21 | N23 | C24 | 179.0° | 179.9° |
| O22 | C21 | C20 | H3 | 70.5° | 61.6° |
| O22 | C21 | N23 | H18 | 1.0° | 0.0° |
| C16 | C19 | C20 | H16 | 120.2° | 120.0° |
| C16 | C19 | C20 | H17 | 120.2° | 120.0° |
| C16 | C19 | C20 | C21 | 169.2° | 179.9° |
| C16 | C19 | C20 | S26 | 77.7° | 66.4° |
| C19 | C16 | C17 | C18 | 179.6° | 180.0° |
| C19 | C16 | C15 | H1 | 0.9° | 0.0° |
| C19 | C16 | C17 | H2 | 0.4° | 0.0° |
| C16 | C19 | C20 | H3 | 43.4° | 56.7° |
| C16 | C19 | H16 | H17 | 119.5° | 120.0° |
| C20 | C19 | C16 | C17 | 44.0° | 89.7° |
| C19 | C20 | C21 | S26 | 112.0° | 118.4° |
| C19 | C20 | C21 | H3 | 126.0° | 123.2° |
| C19 | C20 | C21 | N23 | 124.1° | 118.4° |
| C19 | C20 | S26 | H3 | 122.0° | 123.1° |
| C19 | C20 | S26 | C24 | 135.5° | 118.6° |
| C20 | C19 | H16 | H17 | 119.5° | 120.0° |
| C16 | C17 | C18 | C13 | 3.8° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.9° |
| C17 | C16 | C15 | H1 | 179.9° | 179.7° |
| C16 | C17 | C18 | H15 | 176.2° | 180.0° |
| C17 | C16 | C19 | H16 | 164.2° | 150.3° |
| C17 | C16 | C19 | H17 | 76.1° | 30.3° |
| C09 | C11 | O12 | H12 | 121.4° | 120.0° |
| C09 | C11 | O12 | H13 | 121.4° | 120.0° |
| C11 | C09 | O10 | C06 | 175.1° | 180.0° |
| C11 | C09 | C06 | N05 | 146.5° | 0.3° |
| C09 | C11 | O12 | C13 | 40.9° | 180.0° |
| C11 | C09 | C06 | C07 | 32.1° | 180.0° |
| C09 | C11 | H12 | H13 | 115.6° | 120.1° |
| O12 | C11 | C09 | O10 | 51.7° | 0.0° |
| O12 | C11 | C09 | C06 | 133.2° | 180.0° |
| C11 | O12 | C13 | C18 | 115.9° | 180.0° |
| O12 | C11 | H12 | H13 | 115.6° | 120.0° |
| O10 | C09 | C06 | N05 | 29.3° | 179.7° |
| O10 | C09 | C06 | C07 | 152.1° | 0.0° |
| O10 | C09 | C11 | H12 | 69.7° | 120.0° |
| O10 | C09 | C11 | H13 | 173.1° | 120.0° |
| C21 | C20 | S26 | H3 | 122.5° | 118.3° |
| C20 | C21 | N23 | C24 | 1.3° | 0.1° |
| C21 | C20 | S26 | C24 | 20.1° | 0.0° |
| C21 | C20 | C19 | H16 | 49.0° | 60.1° |
| C21 | C20 | C19 | H17 | 70.6° | 59.9° |
| C20 | C21 | N23 | H18 | 178.7° | 180.0° |
| N23 | C21 | C20 | S26 | 12.1° | 0.0° |
| C21 | N23 | C24 | H18 | 180.0° | 179.9° |
| C21 | N23 | C24 | S26 | 13.9° | 0.1° |
| C21 | N23 | C24 | O25 | 165.3° | 180.0° |
| N23 | C21 | C20 | H3 | 109.9° | 118.4° |
| C09 | C06 | N05 | C04 | 179.2° | 180.0° |
| C09 | C06 | N05 | C07 | 178.6° | 179.7° |
| C09 | C06 | C07 | C08 | 179.2° | 180.0° |
| C09 | C06 | C07 | H10 | 0.8° | 0.0° |
| C06 | C09 | C11 | H12 | 105.4° | 60.0° |
| C06 | C09 | C11 | H13 | 11.9° | 60.0° |
| N05 | C04 | C03 | H9 | 180.0° | 179.9° |
| C04 | N05 | C06 | C07 | 0.6° | 0.3° |
| N05 | C04 | C03 | C02 | 178.4° | 180.0° |
| N05 | C04 | C03 | C08 | 1.0° | 0.2° |
| C06 | N05 | C04 | C03 | 0.7° | 0.1° |
| N05 | C06 | C07 | C08 | 0.7° | 0.3° |
| C06 | N05 | C04 | H9 | 179.3° | 180.0° |
| N05 | C06 | C07 | H10 | 179.3° | 179.7° |
| O12 | C13 | C18 | C17 | 177.1° | 180.0° |
| C13 | O12 | C11 | H12 | 80.5° | 60.0° |
| C13 | O12 | C11 | H13 | 162.3° | 60.0° |
| O12 | C13 | C14 | H14 | 4.2° | 0.0° |
| O12 | C13 | C18 | H15 | 2.9° | 0.0° |
| C13 | C18 | C17 | H15 | 180.0° | 180.0° |
| C13 | C18 | C17 | H2 | 176.2° | 179.9° |
| C18 | C13 | C14 | H14 | 176.7° | 179.7° |
| C04 | C03 | C02 | C08 | 177.3° | 179.8° |
| C04 | C03 | C08 | C07 | 1.1° | 0.3° |
| C04 | C03 | C02 | C01 | 41.8° | 89.8° |
| C04 | C03 | C02 | H7 | 161.4° | 150.2° |
| C04 | C03 | C02 | H8 | 77.8° | 30.3° |
| C04 | C03 | C08 | H11 | 178.9° | 179.7° |
| C20 | S26 | C24 | N23 | 21.5° | 0.0° |
| C20 | S26 | C24 | O25 | 157.7° | 180.0° |
| S26 | C20 | C19 | H16 | 162.1° | 53.5° |
| S26 | C20 | C19 | H17 | 42.5° | 173.5° |
| C06 | C07 | C08 | C03 | 1.0° | 0.0° |
| C06 | C07 | C08 | H10 | 180.0° | 180.0° |
| C06 | C07 | C08 | H11 | 179.0° | 180.0° |
| C02 | C03 | C08 | C07 | 178.2° | 180.0° |
| C03 | C02 | C01 | H7 | 119.6° | 120.0° |
| C03 | C02 | C01 | H8 | 119.6° | 120.0° |
| C03 | C02 | C01 | H4 | 180.0° | 180.0° |
| C03 | C02 | C01 | H5 | 60.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | H7 | H8 | 121.2° | 120.0° |
| C02 | C03 | C04 | H9 | 1.6° | 0.1° |
| C02 | C03 | C08 | H11 | 1.8° | 0.0° |
| C03 | C08 | C07 | H11 | 180.0° | 180.0° |
| C08 | C03 | C02 | C01 | 135.4° | 90.0° |
| C08 | C03 | C02 | H7 | 15.9° | 30.0° |
| C08 | C03 | C02 | H8 | 105.0° | 150.0° |
| C08 | C03 | C04 | H9 | 179.0° | 179.7° |
| C03 | C08 | C07 | H10 | 179.0° | 180.0° |
| N23 | C24 | S26 | O25 | 179.2° | 180.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C01 | C02 | H7 | H8 | 121.2° | 120.0° |
| C24 | S26 | C20 | H3 | 102.4° | 118.3° |
| S26 | C24 | N23 | H18 | 166.2° | 180.0° |
| O25 | C24 | N23 | H18 | 14.6° | 0.1° |
| H1 | C15 | C14 | H14 | 1.0° | 0.0° |
| H2 | C17 | C18 | H15 | 3.8° | 0.0° |
| H3 | C20 | C19 | H16 | 76.7° | 176.7° |
| H3 | C20 | C19 | H17 | 163.6° | 63.3° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 60.4° | 60.0° |
| H4 | C01 | C02 | H8 | 60.4° | 59.9° |
| H5 | C01 | C02 | H7 | 179.6° | 60.1° |
| H5 | C01 | C02 | H8 | 59.6° | 180.0° |
| H6 | C01 | C02 | H7 | 59.6° | 180.0° |
| H6 | C01 | C02 | H8 | 179.6° | 60.0° |
| H10 | C07 | C08 | H11 | 1.0° | 0.0° |
