07C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N1 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.47Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C11 | sing | 1.47Å | 1.42Å | Aromatic |
| C2 | N | sing | 1.31Å | 1.31Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.35Å | Aromatic |
| N | C1 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | N2 | doub | 1.34Å | 1.36Å | Aromatic |
| C10 | N3 | sing | 1.48Å | 1.48Å | |
| C1 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | S | sing | 1.76Å | 1.75Å | |
| O1 | N3 | doub | 1.22Å | 1.23Å | |
| N3 | O | sing | 1.22Å | 1.22Å | |
| S | C | sing | 1.81Å | 1.80Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C6 | C5 | 124.1° | 119.7° |
| C6 | N1 | C7 | 117.3° | 123.6° |
| N1 | C6 | H3 | 118.0° | 120.2° |
| C6 | C5 | C4 | 122.7° | 121.9° |
| C6 | C5 | C9 | 117.5° | 117.9° |
| C5 | C6 | H3 | 118.0° | 120.1° |
| N1 | C7 | C8 | 124.2° | 122.7° |
| N1 | C7 | H5 | 117.9° | 118.7° |
| C5 | C4 | C3 | 122.5° | 119.3° |
| C4 | C5 | C9 | 119.7° | 120.2° |
| C5 | C4 | H2 | 118.8° | 120.4° |
| C4 | C3 | C2 | 128.4° | 121.7° |
| C4 | C3 | C11 | 117.8° | 120.5° |
| C3 | C4 | H2 | 118.8° | 120.3° |
| C5 | C9 | C8 | 117.2° | 117.6° |
| C5 | C9 | C10 | 118.7° | 120.4° |
| C7 | C8 | C9 | 119.6° | 118.5° |
| C7 | C8 | H4 | 120.2° | 120.7° |
| C8 | C7 | H5 | 117.9° | 118.7° |
| C2 | C3 | C11 | 113.8° | 117.8° |
| C3 | C2 | N | 124.7° | 118.3° |
| C3 | C2 | H1 | 117.6° | 120.9° |
| C3 | C11 | C10 | 118.8° | 120.2° |
| C3 | C11 | N2 | 122.8° | 118.1° |
| C2 | N | C1 | 115.8° | 122.3° |
| N | C2 | H1 | 117.6° | 120.8° |
| C8 | C9 | C10 | 124.1° | 121.9° |
| C9 | C8 | H4 | 120.2° | 120.8° |
| C9 | C10 | C11 | 122.4° | 119.3° |
| C9 | C10 | N3 | 119.3° | 120.3° |
| N | C1 | N2 | 127.8° | 123.4° |
| N | C1 | S | 114.3° | 118.3° |
| C10 | C11 | N2 | 118.4° | 121.7° |
| C11 | C10 | N3 | 118.3° | 120.3° |
| C11 | N2 | C1 | 115.0° | 120.1° |
| C10 | N3 | O1 | 118.9° | 120.0° |
| C10 | N3 | O | 117.8° | 120.0° |
| N2 | C1 | S | 117.9° | 118.3° |
| C1 | S | C | 102.4° | 100.0° |
| O1 | N3 | O | 123.3° | 120.0° |
| S | C | H6 | 109.5° | 109.5° |
| S | C | H7 | 109.5° | 109.5° |
| S | C | H8 | 109.5° | 109.4° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.4° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C6 | C5 | H3 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 174.1° | 180.0° |
| N1 | C6 | C5 | C9 | 2.3° | 0.1° |
| C6 | N1 | C7 | C8 | 1.2° | 0.1° |
| C6 | N1 | C7 | H5 | 178.9° | 179.9° |
| C5 | C6 | N1 | C7 | 1.5° | 0.1° |
| C6 | C5 | C4 | C9 | 176.3° | 180.0° |
| C6 | C5 | C4 | C3 | 176.3° | 180.0° |
| C6 | C5 | C9 | C8 | 0.5° | 0.0° |
| C6 | C5 | C9 | C10 | 178.5° | 180.0° |
| C6 | C5 | C4 | H2 | 3.7° | 0.0° |
| N1 | C7 | C8 | H5 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 2.9° | 0.0° |
| C7 | N1 | C6 | H3 | 178.5° | 180.0° |
| N1 | C7 | C8 | H4 | 177.1° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C5 | C4 | C3 | C11 | 0.4° | 0.0° |
| C4 | C5 | C9 | C8 | 176.1° | 180.0° |
| C4 | C5 | C9 | C10 | 2.0° | 0.0° |
| C4 | C5 | C6 | H3 | 5.9° | 0.0° |
| C3 | C4 | C5 | C9 | 0.0° | 0.0° |
| C4 | C3 | C2 | C11 | 179.9° | 180.0° |
| C4 | C3 | C2 | N | 179.2° | 180.0° |
| C4 | C3 | C11 | C10 | 2.7° | 0.0° |
| C4 | C3 | C11 | N2 | 177.3° | 180.0° |
| C4 | C3 | C2 | H1 | 0.8° | 0.0° |
| C5 | C9 | C8 | C7 | 1.9° | 0.0° |
| C5 | C9 | C8 | C10 | 177.9° | 180.0° |
| C5 | C9 | C10 | C11 | 4.5° | 0.0° |
| C5 | C9 | C10 | N3 | 178.6° | 180.0° |
| C9 | C5 | C4 | H2 | 180.0° | 180.0° |
| C9 | C5 | C6 | H3 | 177.7° | 180.0° |
| C5 | C9 | C8 | H4 | 178.1° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 176.0° | 180.0° |
| C3 | C2 | N | H1 | 180.0° | 180.0° |
| C3 | C2 | N | C1 | 2.6° | 0.1° |
| C2 | C3 | C11 | C10 | 177.4° | 180.0° |
| C2 | C3 | C11 | N2 | 2.6° | 0.0° |
| C2 | C3 | C4 | H2 | 0.3° | 0.0° |
| C11 | C3 | C2 | N | 0.7° | 0.0° |
| C3 | C11 | C10 | C9 | 4.9° | 0.0° |
| C3 | C11 | C10 | N2 | 180.0° | 179.9° |
| C3 | C11 | C10 | N3 | 178.1° | 180.0° |
| C3 | C11 | N2 | C1 | 1.2° | 0.0° |
| C11 | C3 | C2 | H1 | 179.3° | 180.0° |
| C11 | C3 | C4 | H2 | 179.6° | 180.0° |
| C2 | N | C1 | N2 | 4.6° | 0.1° |
| C2 | N | C1 | S | 172.6° | 180.0° |
| C8 | C9 | C10 | C11 | 173.4° | 180.0° |
| C8 | C9 | C10 | N3 | 3.6° | 0.0° |
| C9 | C8 | C7 | H5 | 177.1° | 180.0° |
| C9 | C10 | C11 | N3 | 177.0° | 180.0° |
| C9 | C10 | C11 | N2 | 175.1° | 179.9° |
| C9 | C10 | N3 | O1 | 48.7° | 90.0° |
| C9 | C10 | N3 | O | 131.1° | 90.0° |
| C10 | C9 | C8 | H4 | 4.0° | 0.0° |
| N | C1 | N2 | C11 | 2.7° | 0.0° |
| N | C1 | N2 | S | 177.1° | 180.0° |
| N | C1 | S | C | 177.5° | 0.0° |
| C1 | N | C2 | H1 | 177.4° | 180.0° |
| C10 | C11 | N2 | C1 | 178.9° | 180.0° |
| C11 | C10 | N3 | O1 | 128.4° | 90.0° |
| C11 | C10 | N3 | O | 51.8° | 90.1° |
| N2 | C11 | C10 | N3 | 1.9° | 0.1° |
| C11 | N2 | C1 | S | 174.4° | 180.0° |
| C10 | N3 | O1 | O | 179.7° | 180.0° |
| N2 | C1 | S | C | 0.0° | 180.0° |
| C1 | S | C | H6 | 180.0° | 180.0° |
| C1 | S | C | H7 | 60.0° | 60.0° |
| C1 | S | C | H8 | 60.0° | 60.0° |
| S | C | H6 | H7 | 120.0° | 120.0° |
| S | C | H6 | H8 | 120.0° | 120.0° |
| S | C | H7 | H8 | 120.0° | 119.9° |
| H4 | C8 | C7 | H5 | 2.8° | 0.0° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
