7GF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | O6 | sing | 1.43Å | 1.47Å | |
| O5 | C4 | doub | 1.22Å | 1.22Å | |
| O6 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C1 | sing | 1.40Å | 1.45Å | |
| C1 | C2 | sing | 1.51Å | 1.28Å | |
| C1 | C8 | doub | 1.37Å | 1.32Å | |
| S12 | C8 | sing | 1.77Å | 1.76Å | |
| S12 | C11 | sing | 1.82Å | 1.71Å | |
| C2 | N3 | sing | 1.47Å | 1.20Å | |
| C8 | N9 | sing | 1.37Å | 1.34Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| N9 | C10 | sing | 1.32Å | 1.36Å | |
| N9 | C13 | sing | 1.40Å | 1.43Å | |
| C10 | O20 | doub | 1.21Å | 1.30Å | |
| C15 | C16 | sing | 1.38Å | 1.32Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.35Å | Aromatic |
| C16 | BR | sing | 1.89Å | 1.96Å | |
| C18 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 1.01Å | 1.00Å | |
| N3 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O6 | C4 | 113.5° | 117.0° |
| O6 | C7 | H1 | 109.5° | 109.5° |
| O6 | C7 | H2 | 109.5° | 109.5° |
| O6 | C7 | H3 | 109.5° | 109.5° |
| O5 | C4 | O6 | 122.9° | 120.0° |
| O5 | C4 | C1 | 118.9° | 120.0° |
| O6 | C4 | C1 | 117.3° | 120.0° |
| C4 | C1 | C2 | 112.9° | 120.0° |
| C4 | C1 | C8 | 121.1° | 120.0° |
| C2 | C1 | C8 | 125.6° | 120.0° |
| C1 | C2 | N3 | 177.2° | 109.5° |
| C1 | C2 | H10 | 90.8° | 109.4° |
| C1 | C2 | H11 | 90.8° | 109.5° |
| C1 | C8 | S12 | 125.3° | 126.3° |
| C1 | C8 | N9 | 126.1° | 126.3° |
| C8 | S12 | C11 | 97.4° | 94.5° |
| S12 | C8 | N9 | 108.5° | 107.4° |
| S12 | C11 | C10 | 101.4° | 103.5° |
| S12 | C11 | H4 | 111.5° | 110.8° |
| S12 | C11 | H5 | 111.4° | 110.5° |
| N3 | C2 | H10 | 90.8° | 109.5° |
| N3 | C2 | H11 | 90.8° | 109.5° |
| C2 | N3 | H12 | 109.5° | 111.0° |
| C2 | N3 | H13 | 109.5° | 111.0° |
| C8 | N9 | C10 | 115.8° | 120.3° |
| C8 | N9 | C13 | 129.6° | 119.8° |
| C11 | C10 | N9 | 115.0° | 114.2° |
| C11 | C10 | O20 | 122.2° | 122.9° |
| C10 | C11 | H4 | 111.4° | 110.6° |
| C10 | C11 | H5 | 111.4° | 110.7° |
| C15 | C14 | C13 | 119.7° | 119.9° |
| C14 | C15 | C16 | 115.8° | 120.1° |
| C15 | C14 | H6 | 120.1° | 120.0° |
| C14 | C15 | H7 | 122.1° | 120.0° |
| C14 | C13 | N9 | 119.6° | 120.0° |
| C14 | C13 | C18 | 118.5° | 119.9° |
| C13 | C14 | H6 | 120.1° | 120.1° |
| C10 | N9 | C13 | 114.3° | 119.9° |
| N9 | C10 | O20 | 122.9° | 122.9° |
| N9 | C13 | C18 | 121.3° | 120.1° |
| C15 | C16 | C17 | 130.3° | 120.1° |
| C15 | C16 | BR | 114.6° | 119.9° |
| C16 | C15 | H7 | 122.1° | 120.0° |
| C13 | C18 | C17 | 121.9° | 119.9° |
| C13 | C18 | H9 | 119.0° | 120.0° |
| C17 | C16 | BR | 114.6° | 120.0° |
| C16 | C17 | C18 | 113.6° | 120.0° |
| C16 | C17 | H8 | 123.2° | 120.0° |
| C18 | C17 | H8 | 123.2° | 120.0° |
| C17 | C18 | H9 | 119.1° | 120.0° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H1 | C7 | H3 | 109.4° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 110.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | N3 | H13 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | O6 | C4 | O5 | 13.6° | 0.1° |
| C7 | O6 | C4 | C1 | 177.4° | 180.0° |
| O6 | C7 | H1 | H2 | 120.0° | 120.0° |
| O6 | C7 | H1 | H3 | 120.0° | 120.0° |
| O6 | C7 | H2 | H3 | 120.0° | 120.0° |
| O5 | C4 | O6 | C1 | 168.9° | 179.9° |
| O5 | C4 | C1 | C2 | 173.4° | 180.0° |
| O5 | C4 | C1 | C8 | 13.9° | 0.0° |
| O6 | C4 | C1 | C2 | 4.0° | 0.0° |
| O6 | C4 | C1 | C8 | 176.7° | 180.0° |
| C4 | O6 | C7 | H1 | 180.0° | 179.9° |
| C4 | O6 | C7 | H2 | 60.0° | 60.0° |
| C4 | O6 | C7 | H3 | 60.0° | 60.0° |
| C4 | C1 | C2 | C8 | 172.3° | 180.0° |
| C4 | C1 | C8 | S12 | 3.5° | 8.3° |
| C4 | C1 | C2 | N3 | 15.2° | 85.7° |
| C4 | C1 | C8 | N9 | 179.2° | 172.1° |
| C4 | C1 | C2 | H10 | 140.4° | 154.3° |
| C4 | C1 | C2 | H11 | 110.1° | 34.4° |
| C2 | C1 | C8 | S12 | 175.2° | 171.7° |
| C1 | C2 | N3 | H10 | 125.2° | 120.0° |
| C1 | C2 | N3 | H11 | 125.2° | 120.0° |
| C2 | C1 | C8 | N9 | 9.1° | 7.9° |
| C1 | C2 | H10 | H11 | 91.1° | 120.0° |
| C1 | C2 | N3 | H12 | 180.0° | 56.1° |
| C1 | C2 | N3 | H13 | 60.0° | 180.0° |
| C1 | C8 | S12 | N9 | 176.3° | 179.7° |
| C1 | C8 | S12 | C11 | 172.8° | 179.9° |
| C8 | C1 | C2 | N3 | 157.1° | 94.3° |
| C1 | C8 | N9 | C10 | 179.5° | 180.0° |
| C1 | C8 | N9 | C13 | 7.2° | 0.1° |
| C8 | C1 | C2 | H10 | 31.9° | 25.7° |
| C8 | C1 | C2 | H11 | 77.7° | 145.6° |
| C8 | S12 | C11 | C10 | 12.5° | 0.3° |
| S12 | C8 | N9 | C10 | 4.2° | 0.3° |
| S12 | C8 | N9 | C13 | 169.1° | 179.8° |
| C8 | S12 | C11 | H4 | 106.2° | 118.3° |
| C8 | S12 | C11 | H5 | 131.2° | 118.9° |
| C11 | S12 | C8 | N9 | 10.8° | 0.4° |
| S12 | C11 | C10 | H4 | 118.7° | 118.7° |
| S12 | C11 | C10 | H5 | 118.7° | 118.5° |
| S12 | C11 | C10 | N9 | 12.7° | 0.2° |
| S12 | C11 | C10 | O20 | 167.8° | 179.8° |
| S12 | C11 | H4 | H5 | 123.8° | 122.9° |
| N3 | C2 | H10 | H11 | 91.1° | 120.1° |
| C2 | N3 | H12 | H13 | 120.0° | 123.9° |
| C8 | N9 | C10 | C11 | 5.8° | 0.1° |
| C8 | N9 | C13 | C14 | 67.7° | 99.7° |
| C8 | N9 | C10 | C13 | 174.3° | 179.9° |
| C8 | N9 | C10 | O20 | 174.6° | 180.0° |
| C8 | N9 | C13 | C18 | 121.2° | 80.6° |
| C11 | C10 | N9 | O20 | 179.5° | 180.0° |
| C11 | C10 | N9 | C13 | 179.9° | 180.0° |
| C10 | C11 | H4 | H5 | 123.7° | 122.9° |
| C15 | C14 | C13 | H6 | 180.0° | 179.9° |
| C15 | C14 | C13 | N9 | 176.1° | 179.9° |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 4.7° | 0.3° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | BR | 172.4° | 180.0° |
| C14 | C13 | N9 | C10 | 105.6° | 80.4° |
| C14 | C13 | N9 | C18 | 171.1° | 179.7° |
| C13 | C14 | C15 | C16 | 2.1° | 0.0° |
| C14 | C13 | C18 | C17 | 5.0° | 0.6° |
| C13 | C14 | C15 | H7 | 177.8° | 179.9° |
| C14 | C13 | C18 | H9 | 175.0° | 179.7° |
| C10 | N9 | C13 | C18 | 65.5° | 99.3° |
| N9 | C10 | C11 | H4 | 106.0° | 118.5° |
| N9 | C10 | C11 | H5 | 131.4° | 118.7° |
| C13 | N9 | C10 | O20 | 0.3° | 0.1° |
| N9 | C13 | C18 | C17 | 176.2° | 179.8° |
| N9 | C13 | C14 | H6 | 3.9° | 0.1° |
| N9 | C13 | C18 | H9 | 3.8° | 0.0° |
| O20 | C10 | C11 | H4 | 73.5° | 61.5° |
| O20 | C10 | C11 | H5 | 49.1° | 61.3° |
| C15 | C16 | C17 | BR | 172.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C16 | C15 | C14 | H6 | 177.9° | 179.9° |
| C15 | C16 | C17 | H8 | 179.8° | 180.0° |
| C13 | C18 | C17 | C16 | 2.6° | 0.6° |
| C13 | C18 | C17 | H9 | 180.0° | 179.7° |
| C18 | C13 | C14 | H6 | 175.3° | 179.8° |
| C13 | C18 | C17 | H8 | 177.4° | 179.7° |
| C16 | C17 | C18 | H8 | 180.0° | 179.7° |
| C17 | C16 | C15 | H7 | 179.6° | 179.9° |
| C16 | C17 | C18 | H9 | 177.4° | 179.7° |
| BR | C16 | C17 | C18 | 172.2° | 179.7° |
| BR | C16 | C15 | H7 | 7.6° | 0.1° |
| BR | C16 | C17 | H8 | 7.8° | 0.0° |
| H1 | C7 | H2 | H3 | 119.9° | 120.0° |
| H6 | C14 | C15 | H7 | 2.1° | 0.0° |
| H8 | C17 | C18 | H9 | 2.6° | 0.0° |
| H10 | C2 | N3 | H12 | 54.8° | 176.0° |
| H10 | C2 | N3 | H13 | 174.8° | 60.1° |
| H11 | C2 | N3 | H12 | 54.7° | 64.0° |
| H11 | C2 | N3 | H13 | 65.3° | 59.9° |
