0LZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| C25 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | sing | 1.51Å | 1.54Å | |
| C16 | N17 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C15 | N01 | sing | 1.46Å | 1.50Å | |
| N01 | C02 | sing | 1.35Å | 1.39Å | |
| C02 | O07 | doub | 1.21Å | 1.23Å | |
| C02 | C03 | sing | 1.49Å | 1.58Å | |
| O06 | C03 | doub | 1.21Å | 1.22Å | |
| C03 | N04 | sing | 1.35Å | 1.42Å | |
| N04 | C05 | sing | 1.40Å | 1.44Å | |
| C12 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| F14 | C11 | sing | 1.35Å | 1.33Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.70Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N04 | H2 | sing | 0.97Å | 1.00Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| N17 | H9 | sing | 1.01Å | 1.00Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 118.9° | 119.8° |
| C23 | C22 | C20 | 120.9° | 120.3° |
| C23 | C22 | H15 | 119.5° | 119.8° |
| C22 | C23 | H16 | 120.5° | 120.1° |
| C23 | C24 | C25 | 120.3° | 119.8° |
| C24 | C23 | H16 | 120.5° | 120.1° |
| C23 | C24 | H17 | 119.9° | 120.1° |
| C22 | C20 | C19 | 117.0° | 118.5° |
| C22 | C20 | C21 | 120.6° | 119.9° |
| C20 | C22 | H15 | 119.5° | 119.9° |
| C24 | C25 | C21 | 121.9° | 120.4° |
| C25 | C24 | H17 | 119.9° | 120.1° |
| C24 | C25 | H18 | 119.1° | 119.8° |
| C19 | C20 | C21 | 122.4° | 121.6° |
| C20 | C19 | C18 | 112.0° | 110.0° |
| C20 | C19 | H13 | 108.8° | 109.4° |
| C20 | C19 | H14 | 108.8° | 109.3° |
| C20 | C21 | C25 | 117.4° | 119.7° |
| C20 | C21 | C16 | 120.3° | 121.9° |
| C19 | C18 | N17 | 111.8° | 108.5° |
| C19 | C18 | H11 | 108.9° | 109.6° |
| C19 | C18 | H12 | 108.9° | 109.8° |
| C18 | C19 | H13 | 108.8° | 109.4° |
| C18 | C19 | H14 | 108.8° | 109.4° |
| C18 | N17 | C16 | 111.3° | 110.2° |
| C18 | N17 | H9 | 109.0° | 111.0° |
| N17 | C18 | H11 | 108.9° | 109.7° |
| N17 | C18 | H12 | 108.9° | 109.6° |
| C25 | C21 | C16 | 122.4° | 118.4° |
| C21 | C25 | H18 | 119.0° | 119.8° |
| C21 | C16 | N17 | 112.0° | 110.5° |
| C21 | C16 | C15 | 116.9° | 109.3° |
| C21 | C16 | H8 | 106.6° | 109.1° |
| N17 | C16 | C15 | 107.3° | 109.3° |
| N17 | C16 | H8 | 107.2° | 109.3° |
| C16 | N17 | H9 | 109.0° | 111.0° |
| C16 | C15 | N01 | 115.3° | 109.5° |
| C16 | C15 | H7 | 108.0° | 109.4° |
| C16 | C15 | H6 | 108.0° | 109.5° |
| C15 | C16 | H8 | 106.2° | 109.3° |
| C15 | N01 | C02 | 122.3° | 120.0° |
| C15 | N01 | H1 | 118.8° | 120.0° |
| N01 | C15 | H7 | 108.0° | 109.4° |
| N01 | C15 | H6 | 108.0° | 109.5° |
| N01 | C02 | O07 | 121.5° | 120.0° |
| N01 | C02 | C03 | 119.7° | 120.0° |
| C02 | N01 | H1 | 118.9° | 120.0° |
| O07 | C02 | C03 | 118.8° | 120.0° |
| C02 | C03 | O06 | 116.8° | 120.0° |
| C02 | C03 | N04 | 121.2° | 120.0° |
| O06 | C03 | N04 | 122.1° | 120.0° |
| C03 | N04 | C05 | 127.3° | 120.0° |
| C03 | N04 | H2 | 116.4° | 120.0° |
| N04 | C05 | C12 | 121.9° | 120.0° |
| N04 | C05 | C08 | 121.3° | 120.1° |
| C05 | N04 | H2 | 116.4° | 120.0° |
| C05 | C12 | C11 | 119.9° | 119.9° |
| C12 | C05 | C08 | 116.9° | 119.9° |
| C05 | C12 | H5 | 120.0° | 120.1° |
| C12 | C11 | F14 | 119.9° | 120.0° |
| C12 | C11 | C10 | 121.6° | 120.1° |
| C11 | C12 | H5 | 120.0° | 120.1° |
| C05 | C08 | C09 | 122.6° | 120.0° |
| C05 | C08 | H3 | 118.7° | 120.0° |
| F14 | C11 | C10 | 118.5° | 120.0° |
| C11 | C10 | C09 | 118.5° | 120.1° |
| C11 | C10 | CL1 | 121.7° | 120.0° |
| C08 | C09 | C10 | 120.5° | 120.1° |
| C09 | C08 | H3 | 118.7° | 120.1° |
| C08 | C09 | H4 | 119.8° | 119.9° |
| C09 | C10 | CL1 | 119.8° | 119.9° |
| C10 | C09 | H4 | 119.8° | 119.9° |
| H7 | C15 | H6 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.7° |
| H13 | C19 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C23 | C22 | C20 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C23 | C22 | C20 | C19 | 180.0° | 179.9° |
| C23 | C22 | C20 | C21 | 0.0° | 0.1° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C24 | C23 | C22 | C20 | 0.0° | 0.0° |
| C23 | C24 | C25 | H17 | 180.0° | 180.0° |
| C23 | C24 | C25 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H15 | 180.0° | 180.0° |
| C23 | C24 | C25 | H18 | 179.9° | 180.0° |
| C22 | C20 | C19 | C21 | 180.0° | 180.0° |
| C22 | C20 | C19 | C18 | 166.6° | 163.2° |
| C22 | C20 | C21 | C25 | 0.1° | 0.3° |
| C22 | C20 | C21 | C16 | 179.9° | 179.7° |
| C22 | C20 | C19 | H13 | 73.0° | 43.1° |
| C22 | C20 | C19 | H14 | 46.2° | 76.7° |
| C20 | C22 | C23 | H16 | 180.0° | 180.0° |
| C24 | C25 | C21 | C20 | 0.1° | 0.2° |
| C24 | C25 | C21 | H18 | 180.0° | 180.0° |
| C24 | C25 | C21 | C16 | 179.9° | 179.8° |
| C25 | C24 | C23 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | H13 | 120.4° | 120.1° |
| C20 | C19 | C18 | H14 | 120.4° | 120.1° |
| C20 | C19 | C18 | N17 | 44.9° | 50.4° |
| C19 | C20 | C21 | C25 | 179.9° | 179.8° |
| C19 | C20 | C21 | C16 | 0.1° | 0.3° |
| C20 | C19 | C18 | H11 | 165.3° | 69.3° |
| C20 | C19 | C18 | H12 | 75.4° | 170.2° |
| C20 | C19 | H13 | H14 | 118.8° | 119.7° |
| C19 | C20 | C22 | H15 | 0.0° | 0.1° |
| C21 | C20 | C19 | C18 | 13.4° | 16.8° |
| C20 | C21 | C25 | C16 | 179.8° | 180.0° |
| C20 | C21 | C16 | N17 | 17.6° | 17.4° |
| C20 | C21 | C16 | C15 | 142.0° | 137.8° |
| C20 | C21 | C16 | H8 | 99.4° | 102.8° |
| C21 | C20 | C19 | H13 | 107.0° | 136.9° |
| C21 | C20 | C19 | H14 | 133.8° | 103.4° |
| C21 | C20 | C22 | H15 | 180.0° | 179.8° |
| C20 | C21 | C25 | H18 | 179.9° | 179.8° |
| C19 | C18 | N17 | H11 | 120.4° | 119.7° |
| C19 | C18 | N17 | H12 | 120.4° | 119.8° |
| C19 | C18 | N17 | C16 | 64.8° | 71.3° |
| C19 | C18 | N17 | H9 | 55.4° | 52.1° |
| C19 | C18 | H11 | H12 | 119.0° | 120.6° |
| C18 | C19 | H13 | H14 | 118.8° | 119.8° |
| C18 | N17 | C16 | C21 | 49.2° | 52.6° |
| C18 | N17 | C16 | H9 | 120.3° | 123.4° |
| C18 | N17 | C16 | C15 | 178.8° | 172.9° |
| C18 | N17 | C16 | H8 | 67.4° | 67.6° |
| N17 | C18 | H11 | H12 | 118.9° | 120.4° |
| N17 | C18 | C19 | H13 | 75.4° | 170.5° |
| N17 | C18 | C19 | H14 | 165.3° | 69.7° |
| C25 | C21 | C16 | N17 | 162.6° | 162.6° |
| C25 | C21 | C16 | C15 | 38.2° | 42.3° |
| C25 | C21 | C16 | H8 | 80.4° | 77.2° |
| C21 | C25 | C24 | H17 | 179.9° | 179.9° |
| C21 | C16 | N17 | C15 | 129.6° | 120.3° |
| C21 | C16 | N17 | H8 | 116.6° | 120.1° |
| C21 | C16 | C15 | H8 | 118.8° | 119.4° |
| C21 | C16 | C15 | N01 | 70.6° | 176.0° |
| C21 | C16 | C15 | H7 | 168.6° | 56.1° |
| C21 | C16 | C15 | H6 | 50.3° | 64.0° |
| C21 | C16 | N17 | H9 | 71.1° | 70.9° |
| C16 | C21 | C25 | H18 | 0.1° | 0.2° |
| N17 | C16 | C15 | H8 | 114.4° | 119.6° |
| N17 | C16 | C15 | N01 | 56.2° | 55.0° |
| N17 | C16 | C15 | H7 | 64.7° | 65.0° |
| N17 | C16 | C15 | H6 | 177.0° | 175.0° |
| C16 | N17 | C18 | H11 | 174.8° | 48.4° |
| C16 | N17 | C18 | H12 | 55.6° | 168.8° |
| C16 | C15 | N01 | H7 | 120.9° | 120.0° |
| C16 | C15 | N01 | H6 | 120.8° | 120.0° |
| C16 | C15 | N01 | C02 | 148.2° | 180.0° |
| C16 | C15 | N01 | H1 | 31.8° | 0.3° |
| C16 | C15 | H7 | H6 | 117.3° | 120.0° |
| C15 | C16 | N17 | H9 | 58.6° | 49.4° |
| C15 | N01 | C02 | H1 | 180.0° | 179.7° |
| C15 | N01 | C02 | O07 | 0.4° | 0.3° |
| C15 | N01 | C02 | C03 | 180.0° | 179.7° |
| N01 | C15 | H7 | H6 | 117.3° | 120.0° |
| N01 | C15 | C16 | H8 | 170.6° | 64.6° |
| N01 | C02 | O07 | C03 | 179.7° | 180.0° |
| N01 | C02 | C03 | O06 | 0.2° | 0.0° |
| N01 | C02 | C03 | N04 | 179.8° | 180.0° |
| C02 | N01 | C15 | H7 | 27.4° | 60.0° |
| C02 | N01 | C15 | H6 | 91.0° | 60.0° |
| O07 | C02 | C03 | O06 | 179.9° | 180.0° |
| O07 | C02 | C03 | N04 | 0.1° | 0.0° |
| O07 | C02 | N01 | H1 | 179.6° | 180.0° |
| C02 | C03 | O06 | N04 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 179.8° | 174.7° |
| C03 | C02 | N01 | H1 | 0.0° | 0.0° |
| C02 | C03 | N04 | H2 | 0.2° | 5.2° |
| O06 | C03 | N04 | C05 | 0.3° | 5.3° |
| O06 | C03 | N04 | H2 | 179.8° | 174.8° |
| C03 | N04 | C05 | H2 | 180.0° | 179.9° |
| C03 | N04 | C05 | C12 | 15.9° | 33.4° |
| C03 | N04 | C05 | C08 | 164.1° | 146.8° |
| N04 | C05 | C12 | C08 | 179.9° | 179.8° |
| N04 | C05 | C12 | C11 | 180.0° | 179.7° |
| N04 | C05 | C08 | C09 | 180.0° | 180.0° |
| N04 | C05 | C08 | H3 | 0.0° | 0.0° |
| N04 | C05 | C12 | H5 | 0.0° | 0.0° |
| C05 | C12 | C11 | H5 | 180.0° | 179.7° |
| C05 | C12 | C11 | F14 | 180.0° | 179.7° |
| C05 | C12 | C11 | C10 | 0.0° | 0.6° |
| C12 | C05 | C08 | C09 | 0.0° | 0.3° |
| C12 | C05 | N04 | H2 | 164.1° | 146.5° |
| C12 | C05 | C08 | H3 | 180.0° | 179.7° |
| C11 | C12 | C05 | C08 | 0.0° | 0.5° |
| C12 | C11 | F14 | C10 | 180.0° | 179.8° |
| C12 | C11 | C10 | C09 | 0.0° | 0.3° |
| C12 | C11 | C10 | CL1 | 180.0° | 179.7° |
| C05 | C08 | C09 | H3 | 180.0° | 180.0° |
| C05 | C08 | C09 | C10 | 0.0° | 0.0° |
| C08 | C05 | N04 | H2 | 15.9° | 33.3° |
| C05 | C08 | C09 | H4 | 179.9° | 180.0° |
| C08 | C05 | C12 | H5 | 179.9° | 179.7° |
| F14 | C11 | C10 | C09 | 180.0° | 180.0° |
| F14 | C11 | C10 | CL1 | 0.0° | 0.0° |
| F14 | C11 | C12 | H5 | 0.0° | 0.0° |
| C11 | C10 | C09 | C08 | 0.0° | 0.0° |
| C11 | C10 | C09 | CL1 | 180.0° | 180.0° |
| C11 | C10 | C09 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | H5 | 180.0° | 179.7° |
| C08 | C09 | C10 | H4 | 180.0° | 180.0° |
| C08 | C09 | C10 | CL1 | 180.0° | 180.0° |
| C10 | C09 | C08 | H3 | 180.0° | 180.0° |
| CL1 | C10 | C09 | H4 | 0.0° | 0.0° |
| H1 | N01 | C15 | H7 | 152.6° | 120.2° |
| H1 | N01 | C15 | H6 | 89.1° | 119.8° |
| H3 | C08 | C09 | H4 | 0.1° | 0.0° |
| H7 | C15 | C16 | H8 | 49.8° | 175.4° |
| H6 | C15 | C16 | H8 | 68.5° | 55.4° |
| H8 | C16 | N17 | H9 | 172.3° | 169.0° |
| H9 | N17 | C18 | H11 | 64.9° | 171.8° |
| H9 | N17 | C18 | H12 | 175.8° | 67.8° |
| H11 | C18 | C19 | H13 | 44.9° | 50.8° |
| H11 | C18 | C19 | H14 | 74.3° | 170.6° |
| H12 | C18 | C19 | H13 | 164.2° | 69.7° |
| H12 | C18 | C19 | H14 | 45.0° | 50.1° |
| H15 | C22 | C23 | H16 | 0.0° | 0.0° |
| H16 | C23 | C24 | H17 | 0.0° | 0.0° |
| H17 | C24 | C25 | H18 | 0.1° | 0.0° |
