7H2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C12 | C2 | doub | 1.35Å | 1.35Å | |
| C12 | N11 | sing | 1.36Å | 1.37Å | |
| O10 | C9 | doub | 1.22Å | 1.18Å | |
| C2 | C3 | sing | 1.40Å | 1.38Å | |
| C15 | C16 | sing | 1.47Å | 1.45Å | |
| C16 | N17 | trip | 1.14Å | 1.12Å | |
| C9 | N11 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.40Å | 1.38Å | |
| N11 | C5 | sing | 1.37Å | 1.36Å | |
| C3 | C4 | doub | 1.36Å | 1.33Å | |
| C8 | C7 | doub | 1.38Å | 1.36Å | |
| C5 | C4 | sing | 1.41Å | 1.37Å | |
| C5 | N6 | doub | 1.33Å | 1.31Å | |
| CL1 | C20 | sing | 1.74Å | 1.73Å | |
| C7 | N6 | sing | 1.32Å | 1.30Å | |
| C7 | C18 | sing | 1.51Å | 1.48Å | |
| C18 | N19 | sing | 1.47Å | 1.43Å | |
| C20 | N19 | sing | 1.35Å | 1.32Å | Aromatic |
| C20 | C21 | doub | 1.36Å | 1.33Å | Aromatic |
| N19 | N23 | sing | 1.40Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.36Å | Aromatic |
| N23 | C22 | doub | 1.31Å | 1.26Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.47Å | |
| F25 | C24 | sing | 1.40Å | 1.33Å | |
| F27 | C24 | sing | 1.40Å | 1.33Å | |
| C24 | F26 | sing | 1.40Å | 1.34Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 60.7° | 60.0° |
| C14 | C13 | C12 | 126.4° | 117.5° |
| C14 | C13 | C15 | 58.8° | 60.0° |
| C13 | C14 | H2 | 119.9° | 117.5° |
| C13 | C14 | H3 | 119.9° | 117.5° |
| C14 | C13 | H6 | 116.0° | 117.4° |
| C14 | C15 | C13 | 60.5° | 60.0° |
| C14 | C15 | C16 | 122.2° | 117.5° |
| C15 | C14 | H2 | 119.9° | 117.5° |
| C15 | C14 | H3 | 119.9° | 117.5° |
| C14 | C15 | H11 | 113.6° | 117.6° |
| C12 | C13 | C15 | 106.2° | 117.5° |
| C13 | C12 | C2 | 117.9° | 119.6° |
| C13 | C12 | N11 | 121.8° | 119.7° |
| C12 | C13 | H6 | 116.3° | 115.6° |
| C13 | C15 | C16 | 122.4° | 117.5° |
| C15 | C13 | H6 | 115.9° | 117.5° |
| C13 | C15 | H11 | 113.2° | 117.5° |
| C1 | C2 | C12 | 122.0° | 119.9° |
| C1 | C2 | C3 | 117.4° | 120.0° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C12 | N11 | 120.2° | 120.7° |
| C12 | C2 | C3 | 120.6° | 120.1° |
| C12 | N11 | C9 | 123.8° | 119.6° |
| C12 | N11 | C5 | 118.2° | 120.5° |
| O10 | C9 | N11 | 124.9° | 120.5° |
| O10 | C9 | C8 | 115.1° | 120.5° |
| C2 | C3 | C4 | 120.0° | 119.6° |
| C2 | C3 | H7 | 120.0° | 120.2° |
| C15 | C16 | N17 | 176.5° | 180.0° |
| C16 | C15 | H11 | 114.4° | 115.5° |
| N11 | C9 | C8 | 119.9° | 118.9° |
| C9 | N11 | C5 | 118.0° | 119.9° |
| C9 | C8 | C7 | 118.3° | 118.9° |
| C9 | C8 | H4 | 120.9° | 120.5° |
| N11 | C5 | C4 | 121.6° | 119.6° |
| N11 | C5 | N6 | 121.5° | 120.9° |
| C3 | C4 | C5 | 119.4° | 119.5° |
| C3 | C4 | H1 | 120.3° | 120.3° |
| C4 | C3 | H7 | 120.0° | 120.2° |
| C8 | C7 | N6 | 120.5° | 120.1° |
| C8 | C7 | C18 | 121.6° | 120.0° |
| C7 | C8 | H4 | 120.9° | 120.6° |
| C4 | C5 | N6 | 116.9° | 119.5° |
| C5 | C4 | H1 | 120.3° | 120.3° |
| C5 | N6 | C7 | 121.8° | 121.3° |
| CL1 | C20 | N19 | 127.1° | 126.1° |
| CL1 | C20 | C21 | 126.1° | 126.1° |
| N6 | C7 | C18 | 117.9° | 120.0° |
| C7 | C18 | N19 | 111.6° | 109.5° |
| C7 | C18 | H12 | 108.9° | 109.5° |
| C7 | C18 | H13 | 108.9° | 109.5° |
| C18 | N19 | C20 | 128.1° | 126.0° |
| C18 | N19 | N23 | 123.7° | 126.0° |
| N19 | C18 | H12 | 108.9° | 109.4° |
| N19 | C18 | H13 | 108.9° | 109.5° |
| N19 | C20 | C21 | 106.7° | 107.7° |
| C20 | N19 | N23 | 108.2° | 108.0° |
| C20 | C21 | C22 | 107.8° | 107.9° |
| C20 | C21 | H14 | 126.1° | 126.0° |
| N19 | N23 | C22 | 109.4° | 108.2° |
| C21 | C22 | N23 | 107.8° | 108.2° |
| C21 | C22 | C24 | 127.5° | 125.8° |
| C22 | C21 | H14 | 126.1° | 126.1° |
| N23 | C22 | C24 | 124.6° | 125.9° |
| C22 | C24 | F25 | 109.5° | 109.5° |
| C22 | C24 | F27 | 109.3° | 109.5° |
| C22 | C24 | F26 | 115.8° | 109.4° |
| F25 | C24 | F27 | 106.2° | 109.5° |
| F25 | C24 | F26 | 109.3° | 109.5° |
| F27 | C24 | F26 | 106.3° | 109.5° |
| H2 | C14 | H3 | 109.5° | 115.6° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H2 | 109.7° | 107.5° |
| C13 | C14 | C15 | H3 | 109.6° | 107.5° |
| C14 | C13 | C12 | C15 | 62.9° | 68.6° |
| C14 | C13 | C12 | H6 | 166.4° | 145.6° |
| C14 | C13 | C15 | H6 | 105.9° | 107.4° |
| C14 | C13 | C12 | C2 | 36.9° | 118.9° |
| C14 | C13 | C12 | N11 | 141.3° | 61.1° |
| C13 | C14 | C15 | C16 | 111.7° | 107.5° |
| C13 | C14 | H2 | H3 | 144.3° | 145.8° |
| C13 | C14 | C15 | H11 | 104.2° | 107.5° |
| C14 | C15 | C16 | H11 | 143.7° | 145.7° |
| C14 | C15 | C16 | N17 | 152.4° | 179.7° |
| C15 | C14 | H2 | H3 | 144.4° | 145.6° |
| C12 | C13 | C15 | H6 | 131.0° | 145.1° |
| C13 | C12 | C2 | C1 | 2.0° | 0.0° |
| C13 | C12 | C2 | N11 | 178.2° | 180.0° |
| C13 | C12 | C2 | C3 | 178.6° | 179.8° |
| C12 | C13 | C15 | C16 | 125.4° | 145.1° |
| C13 | C12 | N11 | C9 | 2.4° | 0.0° |
| C13 | C12 | N11 | C5 | 177.6° | 179.7° |
| C12 | C13 | C14 | H2 | 22.0° | 0.1° |
| C12 | C13 | C14 | H3 | 162.6° | 145.0° |
| C12 | C13 | C15 | H11 | 18.1° | 0.1° |
| C15 | C13 | C12 | C2 | 99.8° | 50.3° |
| C15 | C13 | C12 | N11 | 78.4° | 129.7° |
| C13 | C15 | C16 | H11 | 143.1° | 145.7° |
| C13 | C15 | C16 | N17 | 134.5° | 111.1° |
| C1 | C2 | C12 | C3 | 179.3° | 179.7° |
| C1 | C2 | C12 | N11 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.0° | 179.7° |
| C1 | C2 | C3 | H7 | 1.0° | 0.3° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C12 | N11 | C9 | 179.5° | 180.0° |
| C2 | C12 | N11 | C5 | 0.5° | 0.3° |
| C12 | C2 | C3 | C4 | 1.7° | 0.0° |
| C2 | C12 | C13 | H6 | 129.5° | 95.5° |
| C12 | C2 | C3 | H7 | 178.4° | 179.9° |
| C12 | C2 | C1 | H8 | 180.0° | 91.9° |
| C12 | C2 | C1 | H9 | 60.0° | 148.1° |
| C12 | C2 | C1 | H10 | 60.0° | 28.1° |
| C12 | N11 | C9 | O10 | 2.5° | 0.0° |
| N11 | C12 | C2 | C3 | 0.5° | 0.3° |
| C12 | N11 | C9 | C5 | 180.0° | 179.7° |
| C12 | N11 | C9 | C8 | 179.2° | 179.8° |
| C12 | N11 | C5 | C4 | 0.3° | 0.1° |
| C12 | N11 | C5 | N6 | 179.7° | 180.0° |
| N11 | C12 | C13 | H6 | 52.4° | 84.5° |
| O10 | C9 | N11 | C8 | 176.7° | 179.7° |
| O10 | C9 | N11 | C5 | 177.5° | 179.7° |
| O10 | C9 | C8 | C7 | 178.3° | 179.7° |
| O10 | C9 | C8 | H4 | 1.7° | 0.0° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.8° | 0.2° |
| C2 | C3 | C4 | H1 | 178.1° | 180.0° |
| C3 | C2 | C1 | H8 | 0.6° | 88.4° |
| C3 | C2 | C1 | H9 | 119.4° | 31.6° |
| C3 | C2 | C1 | H10 | 120.6° | 151.6° |
| C16 | C15 | C14 | H2 | 138.6° | 145.0° |
| C16 | C15 | C14 | H3 | 2.1° | 0.1° |
| C16 | C15 | C13 | H6 | 5.6° | 0.1° |
| N17 | C16 | C15 | H11 | 8.6° | 34.6° |
| N11 | C9 | C8 | C7 | 1.3° | 0.5° |
| C9 | N11 | C5 | C4 | 179.7° | 179.7° |
| C9 | N11 | C5 | N6 | 0.3° | 0.3° |
| N11 | C9 | C8 | H4 | 178.7° | 179.7° |
| C8 | C9 | N11 | C5 | 0.8° | 0.6° |
| C9 | C8 | C7 | H4 | 180.0° | 179.7° |
| C9 | C8 | C7 | N6 | 1.3° | 0.2° |
| C9 | C8 | C7 | C18 | 179.5° | 179.8° |
| N11 | C5 | C4 | C3 | 0.9° | 0.2° |
| N11 | C5 | C4 | N6 | 179.5° | 179.9° |
| N11 | C5 | N6 | C7 | 0.3° | 0.0° |
| N11 | C5 | C4 | H1 | 179.1° | 179.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | N6 | 178.6° | 179.8° |
| C8 | C7 | N6 | C5 | 0.8° | 0.0° |
| C8 | C7 | N6 | C18 | 178.3° | 180.0° |
| C8 | C7 | C18 | N19 | 37.1° | 95.0° |
| C8 | C7 | C18 | H12 | 83.3° | 145.0° |
| C8 | C7 | C18 | H13 | 157.4° | 25.0° |
| C4 | C5 | N6 | C7 | 179.7° | 179.9° |
| C5 | C4 | C3 | H7 | 178.2° | 179.7° |
| C5 | N6 | C7 | C18 | 179.1° | 180.0° |
| N6 | C5 | C4 | H1 | 1.5° | 0.0° |
| CL1 | C20 | N19 | C18 | 2.3° | 0.0° |
| CL1 | C20 | N19 | C21 | 177.8° | 180.0° |
| CL1 | C20 | N19 | N23 | 178.5° | 179.7° |
| CL1 | C20 | C21 | C22 | 178.9° | 180.0° |
| CL1 | C20 | C21 | H14 | 1.1° | 0.0° |
| N6 | C7 | C18 | N19 | 144.6° | 85.0° |
| N6 | C7 | C8 | H4 | 178.7° | 180.0° |
| N6 | C7 | C18 | H12 | 95.1° | 35.0° |
| N6 | C7 | C18 | H13 | 24.3° | 155.0° |
| C7 | C18 | N19 | H12 | 120.3° | 119.9° |
| C7 | C18 | N19 | H13 | 120.3° | 120.0° |
| C7 | C18 | N19 | C20 | 107.0° | 89.8° |
| C7 | C18 | N19 | N23 | 74.0° | 89.9° |
| C18 | C7 | C8 | H4 | 0.4° | 0.0° |
| C7 | C18 | H12 | H13 | 119.0° | 120.0° |
| C18 | N19 | C20 | N23 | 179.1° | 179.7° |
| C18 | N19 | C20 | C21 | 179.8° | 180.0° |
| C18 | N19 | N23 | C22 | 179.3° | 179.8° |
| N19 | C18 | H12 | H13 | 119.0° | 120.0° |
| N19 | C20 | C21 | C22 | 1.0° | 0.0° |
| C20 | N19 | N23 | C22 | 0.1° | 0.4° |
| C20 | N19 | C18 | H12 | 13.3° | 150.3° |
| C20 | N19 | C18 | H13 | 132.7° | 30.2° |
| N19 | C20 | C21 | H14 | 179.0° | 180.0° |
| C21 | C20 | N19 | N23 | 0.7° | 0.3° |
| C20 | C21 | C22 | H14 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 0.9° | 0.3° |
| C20 | C21 | C22 | C24 | 178.9° | 179.9° |
| N19 | N23 | C22 | C21 | 0.5° | 0.4° |
| N19 | N23 | C22 | C24 | 178.5° | 179.8° |
| N23 | N19 | C18 | H12 | 165.7° | 30.0° |
| N23 | N19 | C18 | H13 | 46.3° | 150.0° |
| C21 | C22 | N23 | C24 | 178.0° | 179.8° |
| C21 | C22 | C24 | F25 | 13.9° | 29.9° |
| C21 | C22 | C24 | F27 | 129.9° | 150.0° |
| C21 | C22 | C24 | F26 | 110.2° | 90.1° |
| N23 | C22 | C24 | F25 | 163.7° | 150.3° |
| N23 | C22 | C24 | F27 | 47.8° | 30.3° |
| N23 | C22 | C24 | F26 | 72.2° | 89.7° |
| N23 | C22 | C21 | H14 | 179.1° | 179.7° |
| C22 | C24 | F25 | F27 | 117.9° | 120.0° |
| C22 | C24 | F25 | F26 | 127.9° | 120.0° |
| C22 | C24 | F27 | F26 | 125.7° | 119.9° |
| C24 | C22 | C21 | H14 | 1.1° | 0.1° |
| F25 | C24 | F27 | F26 | 116.3° | 120.0° |
| H1 | C4 | C3 | H7 | 1.8° | 0.0° |
| H2 | C14 | C13 | H6 | 144.5° | 145.0° |
| H2 | C14 | C15 | H11 | 5.4° | 0.0° |
| H3 | C14 | C13 | H6 | 3.8° | 0.1° |
| H3 | C14 | C15 | H11 | 146.1° | 145.0° |
| H6 | C13 | C15 | H11 | 149.1° | 145.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
