6Z0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N5 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.47Å | |
| N5 | C6 | sing | 1.31Å | 1.31Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| N9 | C7 | sing | 1.35Å | 1.36Å | |
| N9 | C12 | sing | 1.40Å | 1.40Å | |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | F18 | sing | 1.35Å | 1.34Å | |
| C1 | C10 | sing | 1.43Å | 1.43Å | |
| C7 | O8 | doub | 1.22Å | 1.22Å | |
| C10 | N11 | trip | 1.14Å | 1.15Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.35Å | Aromatic |
| C16 | C5 | sing | 1.51Å | 1.50Å | |
| C20 | C5 | sing | 1.53Å | 1.53Å | |
| O22 | C23 | sing | 1.36Å | 1.32Å | |
| O22 | C60 | sing | 1.43Å | 1.45Å | |
| C23 | N24 | doub | 1.30Å | 1.36Å | |
| C23 | N28 | sing | 1.38Å | 1.30Å | |
| C25 | F26 | sing | 1.40Å | 1.40Å | |
| C25 | C60 | sing | 1.53Å | 1.51Å | |
| C25 | F27 | sing | 1.40Å | 1.40Å | |
| C25 | C5 | sing | 1.53Å | 1.55Å | |
| N28 | C5 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 118.0° | 118.4° |
| C2 | C3 | C4 | 119.6° | 119.2° |
| C3 | C2 | H2 | 121.0° | 120.8° |
| C2 | C3 | H3 | 120.2° | 120.4° |
| C2 | C1 | C6 | 118.7° | 119.1° |
| C2 | C1 | C10 | 120.3° | 120.5° |
| C1 | C2 | H2 | 121.0° | 120.9° |
| C3 | C4 | N5 | 121.1° | 120.9° |
| C3 | C4 | C7 | 120.8° | 119.6° |
| C4 | C3 | H3 | 120.2° | 120.4° |
| N5 | C4 | C7 | 117.9° | 119.5° |
| C4 | N5 | C6 | 120.6° | 121.8° |
| C4 | C7 | N9 | 116.2° | 120.0° |
| C4 | C7 | O8 | 119.2° | 120.0° |
| N5 | C6 | C1 | 122.0° | 120.7° |
| N5 | C6 | H6 | 119.0° | 119.6° |
| C6 | C1 | C10 | 120.9° | 120.4° |
| C1 | C6 | H6 | 119.0° | 119.7° |
| C7 | N9 | C12 | 129.1° | 120.0° |
| N9 | C7 | O8 | 124.6° | 120.0° |
| C7 | N9 | H9 | 115.4° | 120.0° |
| N9 | C12 | C13 | 124.1° | 120.0° |
| N9 | C12 | C17 | 117.2° | 120.1° |
| C12 | N9 | H9 | 115.5° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.1° |
| C14 | C15 | F18 | 120.4° | 120.0° |
| C15 | C14 | C13 | 120.4° | 120.1° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C16 | C15 | F18 | 118.9° | 119.9° |
| C15 | C16 | C17 | 118.5° | 120.0° |
| C15 | C16 | C5 | 121.1° | 120.0° |
| C1 | C10 | N11 | 178.1° | 179.9° |
| C13 | C12 | C17 | 118.5° | 119.9° |
| C12 | C13 | C14 | 119.5° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.1° |
| C12 | C17 | C16 | 122.2° | 120.0° |
| C12 | C17 | H17 | 118.9° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| C17 | C16 | C5 | 120.4° | 120.0° |
| C16 | C17 | H17 | 118.9° | 120.0° |
| C16 | C5 | C20 | 111.4° | 109.7° |
| C16 | C5 | C25 | 111.8° | 109.8° |
| C16 | C5 | N28 | 109.6° | 109.8° |
| C20 | C5 | C25 | 112.9° | 109.7° |
| C20 | C5 | N28 | 104.4° | 109.7° |
| C5 | C20 | H201 | 109.5° | 109.5° |
| C5 | C20 | H202 | 109.4° | 109.5° |
| C5 | C20 | H203 | 109.5° | 109.5° |
| C23 | O22 | C60 | 116.9° | 115.6° |
| O22 | C23 | N24 | 112.0° | 121.4° |
| O22 | C23 | N28 | 127.5° | 117.2° |
| O22 | C60 | C25 | 108.4° | 109.1° |
| O22 | C60 | H601 | 109.7° | 109.6° |
| O22 | C60 | H602 | 109.8° | 109.5° |
| N24 | C23 | N28 | 120.5° | 121.4° |
| C23 | N24 | H24 | 112.0° | 120.0° |
| C23 | N28 | C5 | 121.9° | 117.2° |
| C23 | N28 | H28 | 119.1° | 121.4° |
| F26 | C25 | C60 | 107.8° | 109.5° |
| F26 | C25 | F27 | 107.9° | 109.6° |
| F26 | C25 | C5 | 111.6° | 109.6° |
| C60 | C25 | F27 | 109.2° | 109.6° |
| C60 | C25 | C5 | 110.8° | 109.0° |
| C25 | C60 | H601 | 109.8° | 109.5° |
| C25 | C60 | H602 | 109.7° | 109.5° |
| F27 | C25 | C5 | 109.4° | 109.6° |
| C25 | C5 | N28 | 106.5° | 108.1° |
| C5 | N28 | H28 | 119.1° | 121.4° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | N5 | 2.3° | 0.0° |
| C2 | C3 | C4 | C7 | 177.7° | 180.0° |
| C3 | C2 | C1 | C6 | 2.0° | 0.0° |
| C3 | C2 | C1 | C10 | 178.7° | 180.0° |
| C1 | C2 | C3 | C4 | 3.3° | 0.0° |
| C2 | C1 | C6 | N5 | 0.4° | 0.0° |
| C2 | C1 | C6 | C10 | 176.7° | 180.0° |
| C2 | C1 | C10 | N11 | 176.0° | 16.3° |
| C1 | C2 | C3 | H3 | 176.7° | 180.0° |
| C2 | C1 | C6 | H6 | 179.5° | 180.0° |
| C3 | C4 | N5 | C7 | 175.5° | 180.0° |
| C3 | C4 | N5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C7 | N9 | 162.5° | 180.0° |
| C3 | C4 | C7 | O8 | 16.0° | 0.1° |
| C4 | C3 | C2 | H2 | 176.7° | 179.7° |
| C4 | N5 | C6 | C1 | 1.5° | 0.0° |
| N5 | C4 | C7 | N9 | 13.0° | 0.0° |
| N5 | C4 | C7 | O8 | 168.5° | 180.0° |
| N5 | C4 | C3 | H3 | 177.7° | 180.0° |
| C4 | N5 | C6 | H6 | 178.4° | 180.0° |
| C7 | C4 | N5 | C6 | 175.3° | 180.0° |
| C4 | C7 | N9 | O8 | 178.4° | 179.9° |
| C4 | C7 | N9 | C12 | 176.5° | 175.4° |
| C7 | C4 | C3 | H3 | 2.3° | 0.1° |
| C4 | C7 | N9 | H9 | 3.5° | 4.7° |
| N5 | C6 | C1 | H6 | 180.0° | 180.0° |
| N5 | C6 | C1 | C10 | 176.3° | 180.0° |
| C6 | C1 | C10 | N11 | 7.4° | 163.7° |
| C6 | C1 | C2 | H2 | 178.0° | 179.7° |
| C7 | N9 | C12 | H9 | 180.0° | 179.9° |
| C7 | N9 | C12 | C13 | 15.7° | 35.1° |
| C7 | N9 | C12 | C17 | 160.4° | 144.9° |
| C12 | N9 | C7 | O8 | 1.8° | 4.6° |
| N9 | C12 | C13 | C17 | 176.0° | 180.0° |
| N9 | C12 | C13 | C14 | 177.4° | 180.0° |
| N9 | C12 | C17 | C16 | 178.5° | 180.0° |
| N9 | C12 | C13 | H13 | 2.6° | 0.0° |
| N9 | C12 | C17 | H17 | 1.5° | 0.0° |
| C14 | C15 | C16 | F18 | 179.2° | 179.7° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.7° | 0.0° |
| C14 | C15 | C16 | C5 | 179.7° | 179.9° |
| C15 | C14 | C13 | H13 | 179.2° | 180.0° |
| C15 | C16 | C17 | C12 | 2.4° | 0.0° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C15 | C16 | C17 | C5 | 178.6° | 179.9° |
| C15 | C16 | C5 | C20 | 46.4° | 60.0° |
| C15 | C16 | C5 | C25 | 80.9° | 60.7° |
| C15 | C16 | C5 | N28 | 161.4° | 179.4° |
| C16 | C15 | C14 | H14 | 179.0° | 180.0° |
| C15 | C16 | C17 | H17 | 177.6° | 180.0° |
| F18 | C15 | C14 | C13 | 179.8° | 179.7° |
| F18 | C15 | C16 | C17 | 179.0° | 179.7° |
| F18 | C15 | C16 | C5 | 0.5° | 0.2° |
| F18 | C15 | C14 | H14 | 0.2° | 0.3° |
| C10 | C1 | C2 | H2 | 1.2° | 0.3° |
| C10 | C1 | C6 | H6 | 3.7° | 0.0° |
| O8 | C7 | N9 | H9 | 178.2° | 175.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C12 | C17 | C16 | 2.2° | 0.0° |
| C13 | C12 | N9 | H9 | 164.3° | 144.8° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C13 | C12 | C17 | H17 | 177.8° | 180.0° |
| C17 | C12 | C13 | C14 | 1.4° | 0.1° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | C5 | 179.1° | 180.0° |
| C17 | C12 | N9 | H9 | 19.6° | 35.2° |
| C17 | C12 | C13 | H13 | 178.6° | 180.0° |
| C17 | C16 | C5 | C20 | 135.0° | 120.0° |
| C17 | C16 | C5 | C25 | 97.7° | 119.3° |
| C17 | C16 | C5 | N28 | 20.1° | 0.6° |
| C16 | C5 | C20 | C25 | 126.7° | 120.7° |
| C16 | C5 | C20 | N28 | 118.1° | 120.6° |
| C16 | C5 | N28 | C23 | 99.7° | 72.7° |
| C16 | C5 | C25 | F26 | 171.2° | 173.6° |
| C16 | C5 | C25 | C60 | 68.7° | 66.5° |
| C16 | C5 | C25 | F27 | 51.8° | 53.4° |
| C16 | C5 | C25 | N28 | 119.6° | 119.7° |
| C5 | C16 | C17 | H17 | 0.9° | 0.1° |
| C16 | C5 | C20 | H201 | 180.0° | 60.0° |
| C16 | C5 | C20 | H202 | 60.0° | 180.0° |
| C16 | C5 | C20 | H203 | 60.0° | 60.0° |
| C16 | C5 | N28 | H28 | 80.3° | 107.2° |
| C20 | C5 | N28 | C23 | 140.9° | 166.7° |
| C20 | C5 | C25 | F26 | 44.7° | 53.0° |
| C20 | C5 | C25 | C60 | 164.8° | 172.8° |
| C20 | C5 | C25 | F27 | 74.7° | 67.3° |
| C20 | C5 | C25 | N28 | 113.9° | 119.6° |
| C5 | C20 | H201 | H202 | 120.0° | 120.0° |
| C5 | C20 | H201 | H203 | 120.0° | 120.0° |
| C5 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C5 | N28 | H28 | 39.1° | 13.4° |
| O22 | C23 | N24 | N28 | 180.0° | 180.0° |
| C23 | O22 | C60 | C25 | 37.0° | 53.8° |
| O22 | C23 | N28 | C5 | 1.2° | 43.9° |
| C23 | O22 | C60 | H601 | 156.8° | 173.7° |
| C23 | O22 | C60 | H602 | 82.9° | 66.0° |
| O22 | C23 | N24 | H24 | 0.0° | 0.1° |
| O22 | C23 | N28 | H28 | 178.8° | 136.2° |
| C60 | O22 | C23 | N24 | 173.1° | 132.9° |
| C60 | O22 | C23 | N28 | 6.9° | 47.0° |
| O22 | C60 | C25 | F26 | 62.6° | 62.5° |
| O22 | C60 | C25 | H601 | 119.8° | 119.9° |
| O22 | C60 | C25 | H602 | 119.9° | 119.8° |
| O22 | C60 | C25 | F27 | 179.6° | 177.3° |
| O22 | C60 | C25 | C5 | 59.9° | 57.3° |
| O22 | C60 | H601 | H602 | 120.5° | 120.2° |
| N24 | C23 | N28 | C5 | 178.8° | 136.1° |
| N24 | C23 | N28 | H28 | 1.2° | 43.8° |
| C23 | N28 | C5 | C25 | 21.3° | 47.0° |
| C23 | N28 | C5 | H28 | 180.0° | 179.9° |
| N28 | C23 | N24 | H24 | 180.0° | 179.9° |
| F26 | C25 | C60 | F27 | 117.0° | 120.2° |
| F26 | C25 | C60 | C5 | 122.4° | 119.9° |
| F26 | C25 | F27 | C5 | 121.6° | 120.3° |
| F26 | C25 | C5 | N28 | 69.2° | 66.6° |
| F26 | C25 | C60 | H601 | 57.3° | 57.4° |
| F26 | C25 | C60 | H602 | 177.6° | 177.6° |
| C60 | C25 | F27 | C5 | 121.4° | 119.5° |
| C60 | C25 | C5 | N28 | 50.9° | 53.2° |
| C25 | C60 | H601 | H602 | 120.5° | 120.2° |
| F27 | C25 | C5 | N28 | 171.4° | 173.1° |
| F27 | C25 | C60 | H601 | 59.8° | 62.8° |
| F27 | C25 | C60 | H602 | 60.6° | 57.4° |
| C25 | C5 | C20 | H201 | 53.3° | 179.3° |
| C25 | C5 | C20 | H202 | 66.7° | 59.3° |
| C25 | C5 | C20 | H203 | 173.3° | 60.7° |
| C5 | C25 | C60 | H601 | 179.7° | 177.3° |
| C5 | C25 | C60 | H602 | 60.0° | 62.5° |
| C25 | C5 | N28 | H28 | 158.7° | 133.1° |
| N28 | C5 | C20 | H201 | 61.9° | 60.7° |
| N28 | C5 | C20 | H202 | 178.1° | 59.3° |
| N28 | C5 | C20 | H203 | 58.1° | 179.3° |
| H2 | C2 | C3 | H3 | 3.3° | 0.3° |
| H14 | C14 | C13 | H13 | 0.8° | 0.1° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
