8T3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C21 | sing | 1.74Å | 1.78Å | |
| C21 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | N10 | doub | 1.31Å | 1.33Å | Aromatic |
| N10 | C12 | sing | 1.33Å | 1.35Å | Aromatic |
| C25 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | O16 | doub | 1.22Å | 1.21Å | |
| C8 | N11 | sing | 1.35Å | 1.34Å | |
| N11 | C15 | sing | 1.40Å | 1.40Å | |
| C15 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | F23 | sing | 1.35Å | 1.34Å | |
| C13 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C24 | sing | 1.53Å | 1.53Å | |
| C2 | C9 | sing | 1.54Å | 1.53Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| C9 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C6 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | doub | 1.29Å | 1.27Å | |
| C5 | N17 | sing | 1.37Å | 1.34Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N17 | H172 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C21 | C20 | 116.8° | 120.3° |
| CL | C21 | C25 | 121.3° | 120.4° |
| C20 | C21 | C25 | 121.9° | 119.3° |
| C21 | C20 | N10 | 118.5° | 120.8° |
| C21 | C20 | H20 | 120.8° | 119.6° |
| C21 | C25 | C18 | 117.3° | 118.5° |
| C21 | C25 | H25 | 121.3° | 120.7° |
| C20 | N10 | C12 | 122.4° | 121.7° |
| N10 | C20 | H20 | 120.8° | 119.6° |
| N10 | C12 | C18 | 120.5° | 120.6° |
| N10 | C12 | C8 | 117.7° | 119.7° |
| C25 | C18 | C12 | 119.3° | 119.1° |
| C18 | C25 | H25 | 121.3° | 120.8° |
| C25 | C18 | H18 | 120.4° | 120.4° |
| C18 | C12 | C8 | 121.5° | 119.7° |
| C12 | C18 | H18 | 120.3° | 120.5° |
| C12 | C8 | O16 | 120.1° | 120.0° |
| C12 | C8 | N11 | 114.9° | 120.0° |
| O16 | C8 | N11 | 124.9° | 120.0° |
| C8 | N11 | C15 | 128.1° | 120.0° |
| C8 | N11 | H11 | 116.0° | 120.0° |
| N11 | C15 | C22 | 123.0° | 120.0° |
| N11 | C15 | C14 | 115.9° | 120.0° |
| C15 | N11 | H11 | 115.9° | 120.0° |
| C22 | C15 | C14 | 120.8° | 119.9° |
| C15 | C22 | C19 | 119.2° | 119.9° |
| C15 | C22 | H22 | 120.4° | 120.0° |
| C15 | C14 | C7 | 120.8° | 119.9° |
| C15 | C14 | H14 | 119.6° | 120.0° |
| C22 | C19 | C13 | 118.9° | 120.1° |
| C19 | C22 | H22 | 120.4° | 120.0° |
| C22 | C19 | H19 | 120.6° | 120.0° |
| C19 | C13 | F23 | 119.1° | 120.0° |
| C19 | C13 | C7 | 122.1° | 120.1° |
| C13 | C19 | H19 | 120.6° | 120.0° |
| F23 | C13 | C7 | 118.8° | 120.0° |
| C13 | C7 | C14 | 118.2° | 120.1° |
| C13 | C7 | C2 | 120.4° | 120.0° |
| C14 | C7 | C2 | 121.4° | 120.0° |
| C7 | C14 | H14 | 119.6° | 120.0° |
| C7 | C2 | C24 | 106.7° | 109.5° |
| C7 | C2 | C9 | 110.7° | 109.5° |
| C7 | C2 | N1 | 112.2° | 109.5° |
| C24 | C2 | C9 | 109.5° | 109.5° |
| C24 | C2 | N1 | 106.1° | 109.6° |
| C2 | C24 | H241 | 109.5° | 109.5° |
| C2 | C24 | H242 | 109.4° | 109.5° |
| C2 | C24 | H243 | 109.5° | 109.5° |
| C9 | C2 | N1 | 111.3° | 109.2° |
| C2 | C9 | C4 | 118.6° | 107.3° |
| C2 | C9 | H91C | 107.2° | 109.8° |
| C2 | C9 | H92C | 107.2° | 109.9° |
| C2 | N1 | C5 | 127.6° | 121.1° |
| C9 | C4 | C6 | 114.8° | 117.0° |
| C9 | C4 | C3 | 116.1° | 114.4° |
| C4 | C9 | H91C | 107.1° | 109.9° |
| C4 | C9 | H92C | 107.2° | 109.9° |
| C9 | C4 | H4 | 117.8° | 116.1° |
| C6 | C4 | C3 | 59.8° | 59.8° |
| C4 | C6 | C3 | 60.1° | 60.4° |
| C6 | C4 | H4 | 117.8° | 118.3° |
| C4 | C6 | H61C | 120.0° | 117.4° |
| C4 | C6 | H62C | 120.0° | 117.4° |
| C4 | C3 | C6 | 60.1° | 59.8° |
| C4 | C3 | C5 | 116.2° | 115.7° |
| C3 | C4 | H4 | 117.8° | 119.5° |
| C4 | C3 | H3 | 118.5° | 118.1° |
| C6 | C3 | C5 | 110.4° | 117.2° |
| C3 | C6 | H61C | 120.0° | 117.5° |
| C3 | C6 | H62C | 120.0° | 117.5° |
| C6 | C3 | H3 | 118.6° | 118.0° |
| C3 | C5 | N1 | 122.5° | 120.4° |
| C3 | C5 | N17 | 119.2° | 119.8° |
| C5 | C3 | H3 | 119.1° | 116.2° |
| N1 | C5 | N17 | 118.3° | 119.8° |
| C5 | N17 | H171 | 120.0° | 120.0° |
| C5 | N17 | H172 | 120.0° | 120.1° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 110.0° |
| H61C | C6 | H62C | 109.5° | 115.5° |
| H171 | N17 | H172 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C21 | C20 | C25 | 178.5° | 179.7° |
| CL | C21 | C20 | N10 | 179.2° | 180.0° |
| CL | C21 | C25 | C18 | 179.5° | 180.0° |
| CL | C21 | C20 | H20 | 0.8° | 0.1° |
| CL | C21 | C25 | H25 | 0.5° | 0.1° |
| C21 | C20 | N10 | H20 | 180.0° | 179.9° |
| C21 | C20 | N10 | C12 | 1.8° | 0.0° |
| C20 | C21 | C25 | C18 | 1.1° | 0.4° |
| C20 | C21 | C25 | H25 | 178.9° | 179.7° |
| C25 | C21 | C20 | N10 | 0.8° | 0.3° |
| C21 | C25 | C18 | H25 | 180.0° | 179.9° |
| C21 | C25 | C18 | C12 | 2.4° | 0.1° |
| C25 | C21 | C20 | H20 | 179.3° | 179.7° |
| C21 | C25 | C18 | H18 | 177.6° | 180.0° |
| C20 | N10 | C12 | C18 | 3.2° | 0.2° |
| C20 | N10 | C12 | C8 | 177.2° | 180.0° |
| N10 | C12 | C18 | C25 | 3.5° | 0.2° |
| N10 | C12 | C18 | C8 | 173.8° | 179.8° |
| N10 | C12 | C8 | O16 | 163.9° | 179.9° |
| N10 | C12 | C8 | N11 | 17.2° | 0.1° |
| C12 | N10 | C20 | H20 | 178.2° | 180.0° |
| N10 | C12 | C18 | H18 | 176.5° | 179.7° |
| C25 | C18 | C12 | H18 | 180.0° | 179.9° |
| C25 | C18 | C12 | C8 | 177.3° | 180.0° |
| C18 | C12 | C8 | O16 | 22.2° | 0.1° |
| C18 | C12 | C8 | N11 | 156.8° | 179.7° |
| C12 | C18 | C25 | H25 | 177.6° | 180.0° |
| C12 | C8 | O16 | N11 | 178.9° | 179.9° |
| C12 | C8 | N11 | C15 | 174.2° | 175.4° |
| C8 | C12 | C18 | H18 | 2.7° | 0.1° |
| C12 | C8 | N11 | H11 | 5.8° | 4.7° |
| O16 | C8 | N11 | C15 | 4.7° | 4.5° |
| O16 | C8 | N11 | H11 | 175.3° | 175.4° |
| C8 | N11 | C15 | H11 | 180.0° | 179.9° |
| C8 | N11 | C15 | C22 | 8.8° | 35.1° |
| C8 | N11 | C15 | C14 | 165.4° | 145.2° |
| N11 | C15 | C22 | C14 | 173.9° | 179.7° |
| N11 | C15 | C22 | C19 | 176.1° | 180.0° |
| N11 | C15 | C14 | C7 | 176.3° | 179.8° |
| N11 | C15 | C22 | H22 | 3.9° | 0.0° |
| N11 | C15 | C14 | H14 | 3.8° | 0.0° |
| C15 | C22 | C19 | H22 | 180.0° | 180.0° |
| C15 | C22 | C19 | C13 | 1.1° | 0.0° |
| C22 | C15 | C14 | C7 | 2.0° | 0.5° |
| C22 | C15 | N11 | H11 | 171.2° | 144.9° |
| C22 | C15 | C14 | H14 | 178.1° | 179.7° |
| C15 | C22 | C19 | H19 | 179.0° | 180.0° |
| C14 | C15 | C22 | C19 | 2.2° | 0.2° |
| C15 | C14 | C7 | C13 | 0.6° | 0.5° |
| C15 | C14 | C7 | H14 | 180.0° | 179.8° |
| C15 | C14 | C7 | C2 | 178.3° | 179.8° |
| C14 | C15 | N11 | H11 | 14.6° | 34.9° |
| C14 | C15 | C22 | H22 | 177.8° | 179.8° |
| C22 | C19 | C13 | H19 | 180.0° | 180.0° |
| C22 | C19 | C13 | F23 | 179.2° | 180.0° |
| C22 | C19 | C13 | C7 | 0.3° | 0.1° |
| C19 | C13 | F23 | C7 | 179.0° | 179.9° |
| C19 | C13 | C7 | C14 | 0.6° | 0.3° |
| C19 | C13 | C7 | C2 | 179.5° | 180.0° |
| C13 | C19 | C22 | H22 | 178.9° | 180.0° |
| F23 | C13 | C7 | C14 | 179.5° | 179.8° |
| F23 | C13 | C7 | C2 | 1.6° | 0.1° |
| F23 | C13 | C19 | H19 | 0.7° | 0.0° |
| C13 | C7 | C14 | C2 | 178.9° | 179.7° |
| C13 | C7 | C2 | C24 | 56.7° | 59.9° |
| C13 | C7 | C2 | C9 | 62.4° | 60.2° |
| C13 | C7 | C2 | N1 | 172.5° | 179.9° |
| C13 | C7 | C14 | H14 | 179.5° | 179.7° |
| C7 | C13 | C19 | H19 | 179.7° | 180.0° |
| C14 | C7 | C2 | C24 | 122.2° | 119.8° |
| C14 | C7 | C2 | C9 | 118.7° | 120.1° |
| C14 | C7 | C2 | N1 | 6.4° | 0.4° |
| C7 | C2 | C24 | C9 | 119.9° | 120.1° |
| C7 | C2 | C24 | N1 | 119.9° | 120.1° |
| C7 | C2 | C9 | N1 | 125.6° | 119.9° |
| C7 | C2 | C9 | C4 | 93.9° | 177.3° |
| C7 | C2 | N1 | C5 | 95.7° | 164.8° |
| C2 | C7 | C14 | H14 | 1.7° | 0.0° |
| C7 | C2 | C24 | H241 | 180.0° | 60.1° |
| C7 | C2 | C24 | H242 | 60.0° | 180.0° |
| C7 | C2 | C24 | H243 | 60.0° | 60.0° |
| C7 | C2 | C9 | H91C | 27.3° | 63.3° |
| C7 | C2 | C9 | H92C | 144.8° | 57.8° |
| C24 | C2 | C9 | N1 | 117.0° | 120.0° |
| C24 | C2 | C9 | C4 | 148.6° | 57.2° |
| C24 | C2 | N1 | C5 | 148.1° | 75.1° |
| C2 | C24 | H241 | H242 | 120.0° | 120.0° |
| C2 | C24 | H241 | H243 | 120.0° | 120.1° |
| C2 | C24 | H242 | H243 | 120.0° | 120.1° |
| C24 | C2 | C9 | H91C | 90.1° | 176.6° |
| C24 | C2 | C9 | H92C | 27.3° | 62.3° |
| C2 | C9 | C4 | H91C | 121.3° | 119.4° |
| C2 | C9 | C4 | H92C | 121.3° | 119.5° |
| C2 | C9 | C4 | C6 | 45.2° | 107.5° |
| C2 | C9 | C4 | C3 | 21.9° | 40.3° |
| C9 | C2 | N1 | C5 | 29.0° | 44.9° |
| C9 | C2 | C24 | H241 | 60.1° | 179.9° |
| C9 | C2 | C24 | H242 | 59.9° | 59.9° |
| C9 | C2 | C24 | H243 | 179.9° | 60.1° |
| C2 | C9 | H91C | H92C | 115.9° | 121.0° |
| C2 | C9 | C4 | H4 | 169.5° | 105.2° |
| N1 | C2 | C9 | C4 | 31.7° | 62.8° |
| C2 | N1 | C5 | C3 | 13.7° | 0.2° |
| C2 | N1 | C5 | N17 | 167.9° | 179.7° |
| N1 | C2 | C24 | H241 | 60.1° | 60.1° |
| N1 | C2 | C24 | H242 | 179.9° | 59.9° |
| N1 | C2 | C24 | H243 | 59.9° | 179.9° |
| N1 | C2 | C9 | H91C | 152.9° | 56.6° |
| N1 | C2 | C9 | H92C | 89.6° | 177.7° |
| C9 | C4 | C6 | C3 | 107.0° | 103.9° |
| C9 | C4 | C6 | H4 | 145.4° | 146.7° |
| C9 | C4 | C3 | H4 | 147.6° | 144.3° |
| C9 | C4 | C3 | C5 | 5.3° | 0.3° |
| C4 | C9 | H91C | H92C | 115.9° | 121.1° |
| C9 | C4 | C6 | H61C | 2.5° | 3.8° |
| C9 | C4 | C6 | H62C | 143.5° | 148.4° |
| C9 | C4 | C3 | H3 | 146.8° | 144.0° |
| C6 | C4 | C3 | H4 | 107.6° | 107.5° |
| C4 | C6 | C3 | H61C | 109.5° | 107.6° |
| C4 | C6 | C3 | H62C | 109.5° | 107.6° |
| C6 | C4 | C3 | C5 | 99.5° | 107.9° |
| C6 | C4 | C9 | H91C | 76.1° | 11.9° |
| C6 | C4 | C9 | H92C | 166.5° | 133.1° |
| C4 | C6 | H61C | H62C | 144.7° | 145.3° |
| C6 | C4 | C3 | H3 | 108.4° | 107.8° |
| C4 | C3 | C5 | H3 | 152.0° | 145.0° |
| C4 | C3 | C5 | N1 | 0.3° | 23.5° |
| C4 | C3 | C5 | N17 | 178.7° | 156.6° |
| C3 | C4 | C9 | H91C | 143.2° | 79.1° |
| C3 | C4 | C9 | H92C | 99.4° | 159.8° |
| C6 | C3 | C5 | H3 | 142.2° | 147.4° |
| C6 | C3 | C5 | N1 | 66.1° | 91.1° |
| C6 | C3 | C5 | N17 | 115.5° | 89.0° |
| C3 | C6 | H61C | H62C | 144.7° | 145.5° |
| C3 | C5 | N1 | N17 | 178.4° | 179.9° |
| C5 | C3 | C4 | H4 | 152.9° | 144.6° |
| C5 | C3 | C6 | H61C | 0.2° | 2.2° |
| C5 | C3 | C6 | H62C | 141.2° | 147.1° |
| C3 | C5 | N17 | H171 | 178.5° | 0.1° |
| C3 | C5 | N17 | H172 | 1.5° | 180.0° |
| N1 | C5 | C3 | H3 | 151.7° | 121.5° |
| N1 | C5 | N17 | H171 | 0.0° | 180.0° |
| N1 | C5 | N17 | H172 | 180.0° | 0.1° |
| N17 | C5 | C3 | H3 | 26.7° | 58.4° |
| C5 | N17 | H171 | H172 | 180.0° | 179.9° |
| H25 | C25 | C18 | H18 | 2.4° | 0.1° |
| H22 | C22 | C19 | H19 | 1.1° | 0.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H91C | C9 | C4 | H4 | 69.2° | 135.4° |
| H92C | C9 | C4 | H4 | 48.2° | 14.3° |
| H4 | C4 | C6 | H61C | 142.9° | 142.9° |
| H4 | C4 | C6 | H62C | 1.9° | 1.8° |
| H4 | C4 | C3 | H3 | 0.8° | 0.2° |
| H61C | C6 | C3 | H3 | 142.2° | 144.6° |
| H62C | C6 | C3 | H3 | 1.2° | 0.3° |
