07O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1A | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | CD | sing | 1.51Å | 1.54Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| CD | OD | doub | 1.21Å | 1.23Å | |
| CD | SG | sing | 1.71Å | 1.81Å | |
| SG | CB | sing | 1.81Å | 1.81Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1A | H8 | sing | 1.09Å | 1.10Å | |
| C1A | H9 | sing | 1.09Å | 1.10Å | |
| C1A | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 44.03Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C4 | C3 | H11 | 120.1° | 120.0° |
| C3 | C4 | H12 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.7° | 120.0° |
| C5 | C4 | H12 | 120.2° | 119.9° |
| C4 | C5 | H13 | 119.7° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.0° |
| C3 | C2 | C7 | 120.4° | 120.0° |
| C2 | C3 | H11 | 120.1° | 120.0° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C6 | C5 | H13 | 119.7° | 120.0° |
| C5 | C6 | H14 | 120.2° | 120.0° |
| C1A | C1 | C2 | 109.4° | 109.4° |
| C1A | C1 | CD | 110.6° | 109.5° |
| C1A | C1 | H7 | 108.5° | 109.5° |
| C1 | C1A | H8 | 109.5° | 109.5° |
| C1 | C1A | H9 | 109.5° | 109.5° |
| C1 | C1A | H10 | 109.5° | 109.5° |
| C1 | C2 | C7 | 119.7° | 120.0° |
| C2 | C1 | CD | 108.8° | 109.5° |
| C2 | C1 | H7 | 110.3° | 109.4° |
| C2 | C7 | C6 | 120.0° | 120.0° |
| C2 | C7 | H15 | 120.0° | 120.0° |
| C1 | CD | OD | 119.1° | 120.0° |
| C1 | CD | SG | 111.9° | 120.0° |
| CD | C1 | H7 | 109.2° | 109.5° |
| C7 | C6 | H14 | 120.2° | 120.0° |
| C6 | C7 | H15 | 120.0° | 120.0° |
| OD | CD | SG | 120.3° | 120.0° |
| CD | SG | CB | 98.6° | 100.0° |
| SG | CB | CA | 110.7° | 109.4° |
| SG | CB | H5 | 109.1° | 109.4° |
| SG | CB | H6 | 109.0° | 109.5° |
| CB | CA | N | 111.5° | 109.5° |
| CB | CA | C | 112.3° | 109.5° |
| CB | CA | H4 | 105.9° | 109.5° |
| CA | CB | H5 | 109.1° | 109.4° |
| CA | CB | H6 | 109.1° | 109.5° |
| N | CA | C | 108.7° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 109.7° | 109.5° |
| CA | C | O | 119.4° | 120.0° |
| C | CA | H4 | 108.9° | 109.4° |
| CA | C | OXT | 89.7° | 120.0° |
| O | C | OXT | 129.5° | 120.0° |
| H1 | N | H2 | 109.5° | 111.1° |
| H5 | CB | H6 | 109.9° | 109.5° |
| H8 | C1A | H9 | 109.5° | 109.5° |
| H8 | C1A | H10 | 109.5° | 109.4° |
| H9 | C1A | H10 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H12 | 180.0° | 180.0° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| C4 | C3 | C2 | C7 | 0.2° | 0.3° |
| C3 | C4 | C5 | H13 | 179.8° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | H13 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.2° |
| C5 | C4 | C3 | H11 | 179.9° | 180.0° |
| C4 | C5 | C6 | H14 | 179.7° | 180.0° |
| C3 | C2 | C1 | C1A | 82.9° | 60.3° |
| C3 | C2 | C1 | C7 | 179.6° | 179.7° |
| C3 | C2 | C1 | CD | 156.2° | 59.7° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C3 | C2 | C1 | H7 | 36.4° | 179.7° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C3 | C2 | C7 | H15 | 179.9° | 179.7° |
| C5 | C6 | C7 | C2 | 0.1° | 0.4° |
| C5 | C6 | C7 | H14 | 180.0° | 179.9° |
| C6 | C5 | C4 | H12 | 179.8° | 179.9° |
| C5 | C6 | C7 | H15 | 179.9° | 179.8° |
| C1A | C1 | C2 | CD | 120.9° | 120.0° |
| C1A | C1 | C2 | H7 | 119.4° | 120.0° |
| C1A | C1 | C2 | C7 | 97.4° | 120.0° |
| C1A | C1 | CD | H7 | 119.3° | 120.0° |
| C1A | C1 | CD | OD | 145.1° | 120.0° |
| C1A | C1 | CD | SG | 2.8° | 60.0° |
| C1 | C1A | H8 | H9 | 120.0° | 120.0° |
| C1 | C1A | H8 | H10 | 120.0° | 120.0° |
| C1 | C1A | H9 | H10 | 120.0° | 120.1° |
| C2 | C1 | CD | H7 | 120.5° | 120.0° |
| C1 | C2 | C7 | C6 | 179.7° | 179.8° |
| C2 | C1 | CD | OD | 94.7° | 0.0° |
| C2 | C1 | CD | SG | 117.3° | 180.0° |
| C2 | C1 | C1A | H8 | 180.0° | 179.9° |
| C2 | C1 | C1A | H9 | 60.0° | 60.1° |
| C2 | C1 | C1A | H10 | 60.0° | 60.0° |
| C1 | C2 | C3 | H11 | 0.2° | 0.0° |
| C1 | C2 | C7 | H15 | 0.2° | 0.0° |
| C7 | C2 | C1 | CD | 23.5° | 120.0° |
| C2 | C7 | C6 | H15 | 180.0° | 179.8° |
| C7 | C2 | C1 | H7 | 143.2° | 0.0° |
| C7 | C2 | C3 | H11 | 179.8° | 179.7° |
| C2 | C7 | C6 | H14 | 179.9° | 179.7° |
| C1 | CD | OD | SG | 145.2° | 180.0° |
| C1 | CD | SG | CB | 143.9° | 180.0° |
| CD | C1 | C1A | H8 | 60.2° | 60.0° |
| CD | C1 | C1A | H9 | 59.8° | 60.0° |
| CD | C1 | C1A | H10 | 179.8° | 179.9° |
| C7 | C6 | C5 | H13 | 179.7° | 179.8° |
| OD | CD | SG | CB | 3.6° | 0.1° |
| OD | CD | C1 | H7 | 25.8° | 120.0° |
| CD | SG | CB | CA | 87.3° | 180.0° |
| CD | SG | CB | H5 | 152.7° | 60.1° |
| CD | SG | CB | H6 | 32.8° | 60.0° |
| SG | CD | C1 | H7 | 122.2° | 60.0° |
| SG | CB | CA | H5 | 120.0° | 119.9° |
| SG | CB | CA | H6 | 120.0° | 120.1° |
| SG | CB | CA | N | 64.9° | 59.9° |
| SG | CB | CA | C | 172.9° | 180.0° |
| SG | CB | CA | H4 | 54.2° | 60.1° |
| SG | CB | H5 | H6 | 119.5° | 120.0° |
| CB | CA | N | C | 124.2° | 120.0° |
| CB | CA | N | H4 | 116.9° | 120.0° |
| CB | CA | C | H4 | 116.9° | 120.0° |
| CB | CA | C | O | 103.3° | 100.1° |
| CB | CA | N | H1 | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | H5 | H6 | 119.5° | 120.0° |
| CB | CA | C | OXT | 120.0° | 80.0° |
| N | CA | C | H4 | 119.4° | 120.0° |
| N | CA | C | O | 133.0° | 20.0° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 175.0° | 59.9° |
| N | CA | CB | H6 | 55.0° | 180.0° |
| N | CA | C | OXT | 3.7° | 160.0° |
| CA | C | O | OXT | 117.1° | 180.0° |
| C | CA | N | H1 | 55.8° | 60.0° |
| C | CA | N | H2 | 64.2° | 176.0° |
| C | CA | CB | H5 | 52.9° | 60.1° |
| C | CA | CB | H6 | 67.1° | 59.9° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | H4 | 13.6° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H1 | N | CA | H4 | 63.1° | 180.0° |
| H2 | N | CA | H4 | 176.9° | 56.0° |
| H4 | CA | CB | H5 | 65.8° | 179.9° |
| H4 | CA | CB | H6 | 174.2° | 60.0° |
| H4 | CA | C | OXT | 123.1° | 40.0° |
| H7 | C1 | C1A | H8 | 59.5° | 60.0° |
| H7 | C1 | C1A | H9 | 179.5° | 180.0° |
| H7 | C1 | C1A | H10 | 60.5° | 59.9° |
| H8 | C1A | H9 | H10 | 120.0° | 120.0° |
| H11 | C3 | C4 | H12 | 0.0° | 0.0° |
| H12 | C4 | C5 | H13 | 0.2° | 0.1° |
| H13 | C5 | C6 | H14 | 0.3° | 0.0° |
| H14 | C6 | C7 | H15 | 0.1° | 0.1° |
