552
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | CL11 | sing | 1.74Å | 1.74Å | |
| C12 | C10 | doub | 1.38Å | 1.33Å | |
| N09 | C10 | sing | 1.33Å | 1.36Å | |
| C08 | N09 | doub | 1.31Å | 1.29Å | |
| N23 | C12 | sing | 1.37Å | 1.35Å | |
| C13 | C12 | sing | 1.47Å | 1.48Å | |
| C15 | N23 | sing | 1.47Å | 1.44Å | |
| C24 | N23 | sing | 1.35Å | 1.36Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N18 | C16 | sing | 1.35Å | 1.36Å | |
| C16 | O17 | doub | 1.21Å | 1.20Å | |
| C22 | N18 | sing | 1.47Å | 1.43Å | |
| C19 | N18 | sing | 1.47Å | 1.43Å | |
| C21 | C22 | sing | 1.54Å | 1.51Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.55Å | 1.51Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | doub | 1.33Å | 1.53Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O25 | C24 | doub | 1.22Å | 1.21Å | |
| C24 | C08 | sing | 1.42Å | 1.50Å | |
| O07 | C08 | sing | 1.36Å | 1.37Å | |
| O07 | C06 | sing | 1.43Å | 1.42Å | |
| C06 | C05 | sing | 1.51Å | 1.48Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C06 | H06A | sing | 1.09Å | 1.10Å | |
| C04 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C03 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C02 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C02 | F01 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL11 | C10 | C12 | 121.6° | 119.6° |
| CL11 | C10 | N09 | 114.9° | 119.6° |
| C12 | C10 | N09 | 123.5° | 120.7° |
| C10 | C12 | N23 | 119.7° | 119.2° |
| C10 | C12 | C13 | 130.0° | 131.6° |
| C10 | N09 | C08 | 117.4° | 121.2° |
| N09 | C08 | C24 | 123.4° | 120.1° |
| N09 | C08 | O07 | 127.9° | 120.0° |
| N23 | C12 | C13 | 110.4° | 109.2° |
| C12 | N23 | C15 | 114.3° | 107.4° |
| C12 | N23 | C24 | 122.8° | 119.7° |
| C12 | C13 | C14 | 103.8° | 110.1° |
| C12 | C13 | H13 | 128.1° | 125.0° |
| C15 | N23 | C24 | 122.9° | 132.9° |
| N23 | C15 | C16 | 105.2° | 110.2° |
| N23 | C15 | C14 | 103.6° | 105.9° |
| N23 | C15 | H15 | 116.8° | 110.2° |
| N23 | C24 | O25 | 127.1° | 120.5° |
| N23 | C24 | C08 | 113.2° | 119.1° |
| C16 | C15 | C14 | 112.3° | 110.1° |
| C16 | C15 | H15 | 108.7° | 110.2° |
| C15 | C16 | N18 | 114.1° | 120.0° |
| C15 | C16 | O17 | 123.0° | 120.0° |
| C14 | C15 | H15 | 110.2° | 110.2° |
| C15 | C14 | C13 | 106.9° | 107.5° |
| C15 | C14 | H14 | 126.5° | 126.2° |
| N18 | C16 | O17 | 122.8° | 120.0° |
| C16 | N18 | C22 | 120.3° | 125.6° |
| C16 | N18 | C19 | 125.5° | 125.7° |
| C22 | N18 | C19 | 113.6° | 108.7° |
| N18 | C22 | C21 | 104.4° | 107.3° |
| N18 | C22 | H22 | 111.2° | 109.9° |
| N18 | C22 | H22A | 112.3° | 109.9° |
| N18 | C19 | C20 | 104.4° | 104.7° |
| N18 | C19 | H19 | 111.2° | 110.7° |
| N18 | C19 | H19A | 112.3° | 110.1° |
| C21 | C22 | H22 | 111.2° | 109.9° |
| C21 | C22 | H22A | 112.3° | 110.0° |
| C22 | C21 | C20 | 104.3° | 103.0° |
| C22 | C21 | H21 | 111.2° | 110.7° |
| C22 | C21 | H21A | 112.3° | 110.7° |
| H22 | C22 | H22A | 105.6° | 109.9° |
| C20 | C21 | H21 | 111.2° | 110.8° |
| C20 | C21 | H21A | 112.3° | 110.7° |
| C21 | C20 | C19 | 104.6° | 101.5° |
| C21 | C20 | H20 | 111.2° | 111.0° |
| C21 | C20 | H20A | 112.2° | 111.0° |
| H21 | C21 | H21A | 105.6° | 110.8° |
| C19 | C20 | H20 | 111.1° | 111.2° |
| C19 | C20 | H20A | 112.2° | 110.9° |
| C20 | C19 | H19 | 111.2° | 110.4° |
| C20 | C19 | H19A | 112.3° | 110.4° |
| H20 | C20 | H20A | 105.8° | 110.9° |
| H19 | C19 | H19A | 105.6° | 110.4° |
| C13 | C14 | H14 | 126.6° | 126.3° |
| C14 | C13 | H13 | 128.1° | 124.9° |
| O25 | C24 | C08 | 119.7° | 120.5° |
| C24 | C08 | O07 | 108.7° | 120.0° |
| C08 | O07 | C06 | 114.0° | 117.0° |
| O07 | C06 | C05 | 113.4° | 109.5° |
| O07 | C06 | H06 | 108.2° | 109.4° |
| O07 | C06 | H06A | 107.3° | 109.5° |
| C05 | C06 | H06 | 108.2° | 109.5° |
| C05 | C06 | H06A | 107.3° | 109.5° |
| C06 | C05 | C04 | 121.4° | 120.0° |
| C06 | C05 | C26 | 118.2° | 120.0° |
| H06 | C06 | H06A | 112.6° | 109.5° |
| C04 | C05 | C26 | 120.3° | 120.0° |
| C05 | C04 | C03 | 120.0° | 120.0° |
| C05 | C04 | H04 | 120.0° | 120.0° |
| C05 | C26 | C27 | 119.9° | 120.1° |
| C05 | C26 | H26 | 120.0° | 120.0° |
| C03 | C04 | H04 | 120.0° | 120.0° |
| C04 | C03 | C02 | 119.4° | 119.9° |
| C04 | C03 | H03 | 120.3° | 120.0° |
| C02 | C03 | H03 | 120.3° | 120.0° |
| C03 | C02 | C27 | 120.6° | 120.0° |
| C03 | C02 | F01 | 118.0° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | C02 | 119.8° | 119.9° |
| C26 | C27 | H27 | 120.1° | 120.1° |
| C02 | C27 | H27 | 120.1° | 120.0° |
| C27 | C02 | F01 | 121.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL11 | C10 | C12 | N09 | 178.6° | 179.7° |
| CL11 | C10 | N09 | C08 | 178.1° | 179.9° |
| CL11 | C10 | C12 | N23 | 179.6° | 180.0° |
| CL11 | C10 | C12 | C13 | 1.3° | 0.0° |
| C12 | C10 | N09 | C08 | 0.5° | 0.3° |
| C10 | C12 | N23 | C13 | 179.2° | 180.0° |
| C10 | C12 | N23 | C15 | 179.6° | 180.0° |
| C10 | C12 | N23 | C24 | 2.2° | 0.0° |
| C10 | C12 | C13 | C14 | 172.9° | 180.0° |
| C10 | C12 | C13 | H13 | 7.1° | 0.0° |
| N09 | C10 | C12 | N23 | 1.1° | 0.3° |
| N09 | C10 | C12 | C13 | 179.9° | 179.7° |
| C10 | N09 | C08 | C24 | 1.1° | 0.0° |
| C10 | N09 | C08 | O07 | 179.4° | 179.7° |
| N09 | C08 | C24 | N23 | 0.1° | 0.3° |
| N09 | C08 | C24 | O25 | 179.2° | 179.9° |
| N09 | C08 | C24 | O07 | 178.6° | 179.6° |
| N09 | C08 | O07 | C06 | 15.1° | 0.4° |
| C12 | N23 | C15 | C24 | 178.2° | 180.0° |
| C12 | N23 | C15 | C16 | 111.4° | 119.1° |
| C12 | N23 | C15 | C14 | 6.7° | 0.0° |
| C12 | N23 | C15 | H15 | 128.0° | 119.1° |
| N23 | C12 | C13 | C14 | 6.2° | 0.0° |
| N23 | C12 | C13 | H13 | 173.8° | 180.0° |
| C12 | N23 | C24 | O25 | 179.2° | 180.0° |
| C12 | N23 | C24 | C08 | 1.6° | 0.3° |
| C13 | C12 | N23 | C15 | 0.4° | 0.0° |
| C13 | C12 | N23 | C24 | 178.6° | 180.0° |
| C12 | C13 | C14 | C15 | 9.9° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 170.1° | 179.9° |
| N23 | C15 | C16 | C14 | 112.0° | 116.4° |
| N23 | C15 | C16 | H15 | 125.8° | 121.8° |
| N23 | C15 | C14 | H15 | 125.7° | 119.2° |
| N23 | C15 | C16 | N18 | 157.5° | 153.6° |
| N23 | C15 | C16 | O17 | 23.8° | 26.4° |
| N23 | C15 | C14 | C13 | 10.1° | 0.0° |
| N23 | C15 | C14 | H14 | 169.9° | 179.9° |
| C15 | N23 | C24 | O25 | 1.1° | 0.1° |
| C15 | N23 | C24 | C08 | 179.6° | 179.7° |
| C24 | N23 | C15 | C16 | 66.9° | 60.9° |
| C24 | N23 | C15 | C14 | 175.1° | 180.0° |
| C24 | N23 | C15 | H15 | 53.7° | 60.9° |
| N23 | C24 | O25 | C08 | 179.2° | 179.8° |
| N23 | C24 | C08 | O07 | 178.7° | 179.9° |
| C16 | C15 | C14 | H15 | 121.4° | 121.8° |
| C15 | C16 | N18 | O17 | 178.7° | 180.0° |
| C15 | C16 | N18 | C22 | 178.2° | 5.1° |
| C15 | C16 | N18 | C19 | 11.1° | 175.2° |
| C16 | C15 | C14 | C13 | 102.8° | 119.1° |
| C16 | C15 | C14 | H14 | 77.1° | 60.9° |
| C14 | C15 | C16 | N18 | 90.6° | 90.0° |
| C14 | C15 | C16 | O17 | 88.1° | 90.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 170.1° | 180.0° |
| H15 | C15 | C16 | N18 | 31.7° | 31.8° |
| H15 | C15 | C16 | O17 | 149.7° | 148.2° |
| H15 | C15 | C14 | C13 | 135.8° | 119.1° |
| H15 | C15 | C14 | H14 | 44.2° | 60.9° |
| C16 | N18 | C22 | C19 | 171.8° | 179.7° |
| C16 | N18 | C22 | C21 | 178.7° | 179.0° |
| C16 | N18 | C22 | H22 | 61.3° | 59.6° |
| C16 | N18 | C22 | H22A | 56.8° | 61.4° |
| C16 | N18 | C19 | C20 | 161.9° | 155.8° |
| C16 | N18 | C19 | H19 | 78.1° | 85.2° |
| C16 | N18 | C19 | H19A | 40.0° | 37.1° |
| O17 | C16 | N18 | C22 | 3.1° | 174.9° |
| O17 | C16 | N18 | C19 | 167.6° | 4.8° |
| N18 | C22 | C21 | H22 | 120.0° | 119.4° |
| N18 | C22 | C21 | H22A | 121.9° | 119.6° |
| N18 | C22 | H22 | H22A | 122.1° | 121.0° |
| N18 | C22 | C21 | C20 | 24.2° | 22.2° |
| N18 | C22 | C21 | H21 | 144.1° | 140.6° |
| N18 | C22 | C21 | H21A | 97.7° | 96.2° |
| C22 | N18 | C19 | C20 | 9.3° | 24.5° |
| C22 | N18 | C19 | H19 | 110.7° | 94.5° |
| C22 | N18 | C19 | H19A | 131.2° | 143.2° |
| C19 | N18 | C22 | C21 | 9.5° | 1.3° |
| C19 | N18 | C22 | H22 | 110.5° | 120.7° |
| C19 | N18 | C22 | H22A | 131.4° | 118.3° |
| N18 | C19 | C20 | C21 | 24.1° | 37.3° |
| N18 | C19 | C20 | H19 | 120.0° | 119.2° |
| N18 | C19 | C20 | H19A | 121.9° | 118.5° |
| N18 | C19 | C20 | H20 | 95.9° | 80.8° |
| N18 | C19 | C20 | H20A | 145.9° | 155.3° |
| N18 | C19 | H19 | H19A | 122.1° | 122.2° |
| C21 | C22 | H22 | H22A | 122.0° | 121.2° |
| C22 | C21 | C20 | H21 | 120.0° | 118.4° |
| C22 | C21 | C20 | H21A | 121.9° | 118.3° |
| C22 | C21 | H21 | H21A | 122.1° | 123.2° |
| C22 | C21 | C20 | C19 | 29.9° | 35.6° |
| C22 | C21 | C20 | H20 | 90.1° | 82.6° |
| C22 | C21 | C20 | H20A | 151.8° | 153.5° |
| H22 | C22 | C21 | C20 | 95.8° | 97.2° |
| H22 | C22 | C21 | H21 | 24.1° | 21.2° |
| H22 | C22 | C21 | H21A | 142.3° | 144.5° |
| H22A | C22 | C21 | C20 | 146.1° | 141.7° |
| H22A | C22 | C21 | H21 | 94.0° | 99.9° |
| H22A | C22 | C21 | H21A | 24.2° | 23.4° |
| C20 | C21 | H21 | H21A | 122.1° | 123.3° |
| C21 | C20 | C19 | H20 | 120.0° | 118.1° |
| C21 | C20 | C19 | H20A | 121.8° | 118.0° |
| C21 | C20 | H20 | H20A | 122.0° | 124.0° |
| C21 | C20 | C19 | H19 | 95.9° | 81.9° |
| C21 | C20 | C19 | H19A | 146.0° | 155.8° |
| H21 | C21 | C20 | C19 | 149.9° | 154.0° |
| H21 | C21 | C20 | H20 | 29.9° | 35.8° |
| H21 | C21 | C20 | H20A | 88.3° | 88.1° |
| H21A | C21 | C20 | C19 | 92.0° | 82.7° |
| H21A | C21 | C20 | H20 | 148.0° | 159.1° |
| H21A | C21 | C20 | H20A | 29.8° | 35.2° |
| C19 | C20 | H20 | H20A | 122.0° | 123.8° |
| C20 | C19 | H19 | H19A | 122.1° | 122.3° |
| H20 | C20 | C19 | H19 | 144.1° | 160.0° |
| H20 | C20 | C19 | H19A | 26.0° | 37.7° |
| H20A | C20 | C19 | H19 | 26.0° | 36.1° |
| H20A | C20 | C19 | H19A | 92.2° | 86.2° |
| H14 | C14 | C13 | H13 | 9.9° | 0.0° |
| O25 | C24 | C08 | O07 | 0.6° | 0.3° |
| C24 | C08 | O07 | C06 | 163.4° | 180.0° |
| C08 | O07 | C06 | C05 | 84.3° | 180.0° |
| C08 | O07 | C06 | H06 | 155.7° | 60.1° |
| C08 | O07 | C06 | H06A | 34.0° | 59.9° |
| O07 | C06 | C05 | H06 | 120.0° | 119.9° |
| O07 | C06 | C05 | H06A | 118.3° | 120.0° |
| O07 | C06 | H06 | H06A | 118.4° | 120.0° |
| O07 | C06 | C05 | C04 | 29.2° | 89.8° |
| O07 | C06 | C05 | C26 | 151.5° | 89.9° |
| C05 | C06 | H06 | H06A | 118.4° | 120.0° |
| C06 | C05 | C04 | C26 | 179.3° | 179.7° |
| C06 | C05 | C04 | C03 | 179.6° | 180.0° |
| C06 | C05 | C04 | H04 | 0.4° | 0.1° |
| C06 | C05 | C26 | C27 | 179.2° | 180.0° |
| C06 | C05 | C26 | H26 | 0.8° | 0.1° |
| H06 | C06 | C05 | C04 | 90.8° | 150.3° |
| H06 | C06 | C05 | C26 | 88.5° | 30.0° |
| H06A | C06 | C05 | C04 | 147.5° | 30.3° |
| H06A | C06 | C05 | C26 | 33.2° | 150.0° |
| C05 | C04 | C03 | H04 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H03 | 179.8° | 179.9° |
| C04 | C05 | C26 | C27 | 0.1° | 0.3° |
| C04 | C05 | C26 | H26 | 180.0° | 179.7° |
| C26 | C05 | C04 | C03 | 0.4° | 0.3° |
| C26 | C05 | C04 | H04 | 179.6° | 179.7° |
| C05 | C26 | C27 | H26 | 180.0° | 179.9° |
| C05 | C26 | C27 | C02 | 0.7° | 0.0° |
| C05 | C26 | C27 | H27 | 179.4° | 180.0° |
| C04 | C03 | C02 | H03 | 180.0° | 179.9° |
| C04 | C03 | C02 | C27 | 0.4° | 0.3° |
| C04 | C03 | C02 | F01 | 179.5° | 180.0° |
| H04 | C04 | C03 | C02 | 179.8° | 179.9° |
| H04 | C04 | C03 | H03 | 0.2° | 0.1° |
| C03 | C02 | C27 | C26 | 0.8° | 0.3° |
| C03 | C02 | C27 | F01 | 179.1° | 179.7° |
| C03 | C02 | C27 | H27 | 179.2° | 179.7° |
| H03 | C03 | C02 | C27 | 179.6° | 179.8° |
| H03 | C03 | C02 | F01 | 0.5° | 0.1° |
| C26 | C27 | C02 | H27 | 180.0° | 180.0° |
| C26 | C27 | C02 | F01 | 179.9° | 180.0° |
| H26 | C26 | C27 | C02 | 179.4° | 180.0° |
| H26 | C26 | C27 | H27 | 0.6° | 0.1° |
| H27 | C27 | C02 | F01 | 0.1° | 0.0° |
