7GI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C7 | sing | 1.35Å | 1.37Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| N1 | C17 | sing | 1.39Å | 1.36Å | |
| C10 | C9 | sing | 1.50Å | 1.45Å | |
| C9 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.42Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.35Å | 1.39Å | Aromatic |
| C17 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | O1 | sing | 1.35Å | 1.37Å | |
| C15 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.42Å | 1.42Å | |
| N4 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| N2 | C13 | sing | 1.37Å | 1.32Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.31Å | Aromatic |
| C13 | C12 | doub | 1.42Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.55Å | 1.51Å | |
| N | C1 | sing | 1.48Å | 1.46Å | |
| N | C | sing | 1.37Å | 1.41Å | |
| N3 | C14 | doub | 1.31Å | 1.35Å | Aromatic |
| C12 | C | sing | 1.48Å | 1.34Å | |
| C12 | C14 | sing | 1.39Å | 1.34Å | Aromatic |
| C | O | doub | 1.21Å | 1.24Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.13Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H15 | sing | 1.00Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C7 | C8 | 122.4° | 120.3° |
| F | C7 | C6 | 116.8° | 120.0° |
| C11 | C10 | N1 | 107.8° | 114.5° |
| C11 | C10 | C9 | 109.1° | 114.1° |
| C11 | C10 | H11 | 106.6° | 104.9° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.4° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C7 | C8 | C9 | 120.3° | 121.3° |
| C8 | C7 | C6 | 120.9° | 119.7° |
| C7 | C8 | H10 | 119.9° | 120.1° |
| C8 | C9 | C10 | 122.7° | 115.7° |
| C8 | C9 | C4 | 117.3° | 118.8° |
| C9 | C8 | H10 | 119.8° | 118.6° |
| C7 | C6 | C5 | 119.9° | 119.3° |
| C7 | C6 | H9 | 120.1° | 120.2° |
| C10 | N1 | C17 | 120.9° | 120.8° |
| N1 | C10 | C9 | 118.5° | 112.9° |
| N1 | C10 | H11 | 107.0° | 104.9° |
| C10 | N1 | H15 | 106.5° | 120.0° |
| N1 | C17 | C16 | 118.1° | 119.1° |
| N1 | C17 | N4 | 120.4° | 122.7° |
| C17 | N1 | H15 | 106.6° | 119.2° |
| C10 | C9 | C4 | 120.0° | 125.4° |
| C9 | C10 | H11 | 107.3° | 104.2° |
| C9 | C4 | C5 | 122.0° | 119.4° |
| C9 | C4 | O1 | 115.6° | 122.7° |
| C6 | C5 | C4 | 119.7° | 121.1° |
| C6 | C5 | H8 | 120.2° | 119.4° |
| C5 | C6 | H9 | 120.0° | 120.5° |
| C17 | C16 | C15 | 118.6° | 119.6° |
| C16 | C17 | N4 | 121.5° | 118.2° |
| C17 | C16 | H18 | 120.8° | 119.6° |
| C16 | C15 | N2 | 117.1° | 120.0° |
| C16 | C15 | H17 | 121.5° | 120.1° |
| C15 | C16 | H18 | 120.7° | 120.8° |
| C17 | N4 | C13 | 119.7° | 122.4° |
| C5 | C4 | O1 | 122.4° | 117.9° |
| C4 | C5 | H8 | 120.2° | 119.5° |
| C4 | O1 | C2 | 123.0° | 121.5° |
| C15 | N2 | C13 | 121.9° | 118.6° |
| C15 | N2 | N3 | 129.3° | 133.9° |
| N2 | C15 | H17 | 121.5° | 119.9° |
| O1 | C2 | C3 | 102.7° | 110.9° |
| O1 | C2 | C1 | 114.9° | 107.6° |
| O1 | C2 | H4 | 110.8° | 110.7° |
| N4 | C13 | N2 | 121.3° | 121.1° |
| N4 | C13 | C12 | 127.4° | 132.2° |
| C13 | N2 | N3 | 108.8° | 107.6° |
| N2 | C13 | C12 | 111.3° | 106.7° |
| N2 | N3 | C14 | 105.2° | 110.1° |
| C13 | C12 | C | 123.6° | 122.3° |
| C13 | C12 | C14 | 103.5° | 107.2° |
| C3 | C2 | C1 | 109.1° | 108.0° |
| C3 | C2 | H4 | 109.5° | 110.1° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.4° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C1 | N | 109.0° | 105.0° |
| C2 | C1 | H2 | 109.6° | 109.7° |
| C2 | C1 | H3 | 109.6° | 109.6° |
| C1 | C2 | H4 | 109.6° | 109.4° |
| C1 | N | C | 119.4° | 119.7° |
| C1 | N | H1 | 120.3° | 119.4° |
| N | C1 | H2 | 109.6° | 110.7° |
| N | C1 | H3 | 109.6° | 110.5° |
| N | C | C12 | 120.0° | 112.0° |
| N | C | O | 117.9° | 124.4° |
| C | N | H1 | 120.3° | 120.9° |
| N3 | C14 | C12 | 111.2° | 108.4° |
| N3 | C14 | H16 | 124.4° | 125.7° |
| C | C12 | C14 | 132.7° | 130.5° |
| C12 | C | O | 121.6° | 123.6° |
| C12 | C14 | H16 | 124.4° | 126.0° |
| H2 | C1 | H3 | 109.5° | 111.2° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.4° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C7 | C8 | C6 | 177.7° | 179.5° |
| F | C7 | C8 | C9 | 178.7° | 179.2° |
| F | C7 | C6 | C5 | 178.0° | 178.9° |
| F | C7 | C6 | H9 | 2.0° | 1.8° |
| F | C7 | C8 | H10 | 1.3° | 0.6° |
| C11 | C10 | C9 | C8 | 73.2° | 157.3° |
| C11 | C10 | N1 | C9 | 124.4° | 132.7° |
| C11 | C10 | N1 | H11 | 114.3° | 114.4° |
| C11 | C10 | N1 | C17 | 172.6° | 24.7° |
| C11 | C10 | C9 | H11 | 115.1° | 113.8° |
| C11 | C10 | C9 | C4 | 105.6° | 19.4° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.0° |
| C10 | C11 | H13 | H14 | 120.0° | 120.0° |
| C11 | C10 | N1 | H15 | 51.0° | 155.2° |
| C7 | C8 | C9 | H10 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 178.3° | 174.1° |
| C7 | C8 | C9 | C4 | 0.5° | 2.8° |
| C8 | C7 | C6 | C5 | 0.2° | 1.6° |
| C8 | C7 | C6 | H9 | 179.8° | 177.8° |
| C9 | C8 | C7 | C6 | 0.9° | 1.3° |
| C8 | C9 | C10 | N1 | 50.6° | 69.8° |
| C8 | C9 | C10 | C4 | 178.8° | 176.7° |
| C8 | C9 | C4 | C5 | 0.7° | 6.4° |
| C8 | C9 | C4 | O1 | 179.3° | 173.2° |
| C8 | C9 | C10 | H11 | 171.8° | 43.5° |
| C7 | C6 | C5 | H9 | 180.0° | 179.4° |
| C7 | C6 | C5 | C4 | 1.0° | 2.2° |
| C7 | C6 | C5 | H8 | 178.9° | 179.3° |
| C6 | C7 | C8 | H10 | 179.1° | 178.9° |
| C10 | N1 | C17 | H15 | 121.6° | 179.9° |
| N1 | C10 | C9 | H11 | 121.2° | 113.3° |
| N1 | C10 | C9 | C4 | 130.6° | 113.5° |
| C10 | N1 | C17 | C16 | 165.2° | 155.6° |
| C10 | N1 | C17 | N4 | 13.0° | 24.2° |
| N1 | C10 | C11 | H12 | 180.0° | 72.2° |
| N1 | C10 | C11 | H13 | 60.0° | 47.8° |
| N1 | C10 | C11 | H14 | 60.0° | 167.8° |
| C17 | N1 | C10 | C9 | 63.0° | 108.0° |
| N1 | C17 | C16 | N4 | 178.2° | 179.8° |
| N1 | C17 | C16 | C15 | 178.3° | 178.8° |
| N1 | C17 | N4 | C13 | 177.6° | 179.8° |
| C17 | N1 | C10 | H11 | 58.3° | 139.1° |
| N1 | C17 | C16 | H18 | 1.7° | 1.2° |
| C10 | C9 | C4 | C5 | 179.5° | 170.2° |
| C10 | C9 | C4 | O1 | 1.9° | 10.2° |
| C10 | C9 | C8 | H10 | 1.7° | 6.0° |
| C9 | C10 | C11 | H12 | 50.1° | 60.0° |
| C9 | C10 | C11 | H13 | 69.9° | 180.0° |
| C9 | C10 | C11 | H14 | 170.1° | 60.1° |
| C9 | C10 | N1 | H15 | 175.4° | 72.1° |
| C9 | C4 | C5 | C6 | 1.5° | 6.2° |
| C9 | C4 | C5 | O1 | 178.5° | 179.7° |
| C9 | C4 | O1 | C2 | 161.4° | 147.9° |
| C9 | C4 | C5 | H8 | 178.5° | 175.2° |
| C4 | C9 | C8 | H10 | 179.5° | 177.1° |
| C4 | C9 | C10 | H11 | 9.4° | 133.2° |
| C6 | C5 | C4 | H8 | 180.0° | 178.6° |
| C6 | C5 | C4 | O1 | 180.0° | 173.4° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | N2 | 0.8° | 0.1° |
| C16 | C17 | N4 | C13 | 0.6° | 0.0° |
| C16 | C17 | N1 | H15 | 73.2° | 24.3° |
| C17 | C16 | C15 | H17 | 179.2° | 179.7° |
| C15 | C16 | C17 | N4 | 0.1° | 1.0° |
| C16 | C15 | N2 | H17 | 180.0° | 179.8° |
| C16 | C15 | N2 | C13 | 0.8° | 1.8° |
| C16 | C15 | N2 | N3 | 179.8° | 178.4° |
| C17 | N4 | C13 | N2 | 0.6° | 2.0° |
| C17 | N4 | C13 | C12 | 179.7° | 177.7° |
| N4 | C17 | N1 | H15 | 108.6° | 155.9° |
| N4 | C17 | C16 | H18 | 179.9° | 179.0° |
| C5 | C4 | O1 | C2 | 17.2° | 31.8° |
| C4 | C5 | C6 | H9 | 179.0° | 178.5° |
| C4 | O1 | C2 | C3 | 161.9° | 46.3° |
| C4 | O1 | C2 | C1 | 79.7° | 164.3° |
| C4 | O1 | C2 | H4 | 45.1° | 76.2° |
| O1 | C4 | C5 | H8 | 0.0° | 5.1° |
| C15 | N2 | C13 | N4 | 0.1° | 2.8° |
| C15 | N2 | C13 | N3 | 179.2° | 179.9° |
| C15 | N2 | C13 | C12 | 179.6° | 176.9° |
| C15 | N2 | N3 | C14 | 179.6° | 178.2° |
| N2 | C15 | C16 | H18 | 179.3° | 179.9° |
| O1 | C2 | C3 | C1 | 122.3° | 117.7° |
| O1 | C2 | C3 | H4 | 117.8° | 122.9° |
| O1 | C2 | C1 | H4 | 125.4° | 120.4° |
| O1 | C2 | C1 | N | 12.2° | 52.7° |
| O1 | C2 | C1 | H2 | 107.7° | 171.7° |
| O1 | C2 | C1 | H3 | 132.1° | 66.0° |
| O1 | C2 | C3 | H5 | 180.0° | 177.7° |
| O1 | C2 | C3 | H6 | 60.0° | 62.3° |
| O1 | C2 | C3 | H7 | 60.0° | 57.7° |
| N4 | C13 | N2 | C12 | 179.8° | 179.7° |
| N4 | C13 | N2 | N3 | 179.3° | 177.3° |
| N4 | C13 | C12 | C | 3.3° | 3.5° |
| N4 | C13 | C12 | C14 | 179.6° | 177.1° |
| C13 | N2 | N3 | C14 | 1.3° | 1.7° |
| N2 | C13 | C12 | C | 176.9° | 176.2° |
| N2 | C13 | C12 | C14 | 0.6° | 3.2° |
| C13 | N2 | C15 | H17 | 179.2° | 178.4° |
| N3 | N2 | C13 | C12 | 0.4° | 3.0° |
| N2 | N3 | C14 | C12 | 1.8° | 0.4° |
| N2 | N3 | C14 | H16 | 178.2° | 180.0° |
| N3 | N2 | C15 | H17 | 0.2° | 1.4° |
| C13 | C12 | C | N | 5.9° | 9.5° |
| C13 | C12 | C14 | N3 | 1.5° | 2.2° |
| C13 | C12 | C | C14 | 175.1° | 179.2° |
| C13 | C12 | C | O | 177.8° | 171.3° |
| C13 | C12 | C14 | H16 | 178.5° | 178.2° |
| C3 | C2 | C1 | H4 | 119.9° | 119.9° |
| C3 | C2 | C1 | N | 102.4° | 67.1° |
| C3 | C2 | C1 | H2 | 137.7° | 51.9° |
| C3 | C2 | C1 | H3 | 17.5° | 174.2° |
| C2 | C3 | H5 | H6 | 120.0° | 119.9° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | N | H2 | 119.9° | 118.3° |
| C2 | C1 | N | H3 | 119.9° | 118.1° |
| C2 | C1 | N | C | 174.8° | 166.7° |
| C2 | C1 | N | H1 | 5.2° | 12.3° |
| C2 | C1 | H2 | H3 | 120.2° | 121.4° |
| C1 | C2 | C3 | H5 | 57.7° | 60.0° |
| C1 | C2 | C3 | H6 | 177.7° | 180.0° |
| C1 | C2 | C3 | H7 | 62.3° | 60.0° |
| C1 | N | C | H1 | 180.0° | 179.0° |
| C1 | N | C | C12 | 173.0° | 178.2° |
| C1 | N | C | O | 0.8° | 2.6° |
| N | C1 | H2 | H3 | 120.2° | 123.2° |
| N | C1 | C2 | H4 | 137.7° | 173.1° |
| N | C | C12 | O | 172.0° | 179.2° |
| N | C | C12 | C14 | 169.2° | 169.8° |
| C | N | C1 | H2 | 65.3° | 48.4° |
| C | N | C1 | H3 | 54.9° | 75.1° |
| N3 | C14 | C12 | C | 177.3° | 177.1° |
| N3 | C14 | C12 | H16 | 180.0° | 179.6° |
| C12 | C | N | H1 | 7.0° | 2.8° |
| C | C12 | C14 | H16 | 2.7° | 2.5° |
| C14 | C12 | C | O | 2.8° | 9.4° |
| O | C | N | H1 | 179.3° | 176.4° |
| H1 | N | C1 | H2 | 114.7° | 130.6° |
| H1 | N | C1 | H3 | 125.1° | 105.8° |
| H2 | C1 | C2 | H4 | 17.7° | 68.0° |
| H3 | C1 | C2 | H4 | 102.4° | 54.4° |
| H4 | C2 | C3 | H5 | 62.3° | 59.4° |
| H4 | C2 | C3 | H6 | 57.8° | 60.6° |
| H4 | C2 | C3 | H7 | 177.8° | 179.4° |
| H5 | C3 | H6 | H7 | 120.0° | 120.1° |
| H8 | C5 | C6 | H9 | 1.0° | 0.1° |
| H11 | C10 | C11 | H12 | 65.4° | 173.4° |
| H11 | C10 | C11 | H13 | 174.5° | 66.6° |
| H11 | C10 | C11 | H14 | 54.5° | 53.4° |
| H11 | C10 | N1 | H15 | 63.3° | 40.8° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H17 | C15 | C16 | H18 | 0.7° | 0.3° |
