7PD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C6 | sing | 1.37Å | 1.38Å | |
| N8 | C6 | doub | 1.32Å | 1.30Å | |
| N8 | C3 | sing | 1.33Å | 1.38Å | |
| N9 | C4 | sing | 1.35Å | 1.38Å | |
| N9 | C3 | sing | 1.37Å | 1.37Å | |
| O12 | C4 | doub | 1.22Å | 1.22Å | |
| C6 | N10 | sing | 1.36Å | 1.40Å | |
| C4 | C1 | sing | 1.42Å | 1.50Å | |
| C3 | C2 | doub | 1.41Å | 1.35Å | |
| N10 | C5 | sing | 1.35Å | 1.38Å | |
| C2 | C5 | sing | 1.47Å | 1.49Å | |
| C2 | N7 | sing | 1.33Å | 1.38Å | |
| C1 | N7 | doub | 1.31Å | 1.30Å | |
| C5 | O13 | doub | 1.22Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N9 | H2 | sing | 0.97Å | 1.00Å | |
| N10 | H3 | sing | 0.97Å | 1.00Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C6 | N8 | 122.6° | 118.5° |
| N11 | C6 | N10 | 116.1° | 118.6° |
| C6 | N11 | H4 | 120.0° | 120.0° |
| C6 | N11 | H5 | 120.0° | 120.0° |
| C6 | N8 | C3 | 117.1° | 121.8° |
| N8 | C6 | N10 | 121.2° | 122.8° |
| N8 | C3 | N9 | 115.6° | 121.2° |
| N8 | C3 | C2 | 126.7° | 119.5° |
| C4 | N9 | C3 | 122.2° | 118.9° |
| N9 | C4 | O12 | 127.6° | 120.1° |
| N9 | C4 | C1 | 114.9° | 119.9° |
| C4 | N9 | H2 | 118.9° | 120.5° |
| N9 | C3 | C2 | 117.7° | 119.3° |
| C3 | N9 | H2 | 118.9° | 120.6° |
| O12 | C4 | C1 | 117.5° | 120.0° |
| C6 | N10 | C5 | 124.4° | 120.3° |
| C6 | N10 | H3 | 117.8° | 119.8° |
| C4 | C1 | N7 | 122.9° | 120.7° |
| C4 | C1 | H1 | 118.6° | 119.7° |
| C3 | C2 | C5 | 116.7° | 118.1° |
| C3 | C2 | N7 | 125.7° | 120.5° |
| N10 | C5 | C2 | 113.8° | 117.5° |
| N10 | C5 | O13 | 124.2° | 121.2° |
| C5 | N10 | H3 | 117.8° | 119.8° |
| C5 | C2 | N7 | 117.5° | 121.4° |
| C2 | C5 | O13 | 121.9° | 121.3° |
| C2 | N7 | C1 | 116.6° | 120.6° |
| N7 | C1 | H1 | 118.6° | 119.6° |
| H4 | N11 | H5 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C6 | N8 | N10 | 179.8° | 179.1° |
| N11 | C6 | N8 | C3 | 179.6° | 179.5° |
| N11 | C6 | N10 | C5 | 180.0° | 180.0° |
| N11 | C6 | N10 | H3 | 0.0° | 0.9° |
| C6 | N11 | H4 | H5 | 180.0° | 179.9° |
| C6 | N8 | C3 | N9 | 179.7° | 179.9° |
| C6 | N8 | C3 | C2 | 0.4° | 0.0° |
| N8 | C6 | N10 | C5 | 0.1° | 0.9° |
| N8 | C6 | N10 | H3 | 179.9° | 180.0° |
| N8 | C6 | N11 | H4 | 0.0° | 179.1° |
| N8 | C6 | N11 | H5 | 180.0° | 0.8° |
| N8 | C3 | N9 | C4 | 180.0° | 179.8° |
| N8 | C3 | N9 | C2 | 180.0° | 180.0° |
| C3 | N8 | C6 | N10 | 0.3° | 0.4° |
| N8 | C3 | C2 | C5 | 0.1° | 0.0° |
| N8 | C3 | C2 | N7 | 179.5° | 179.5° |
| N8 | C3 | N9 | H2 | 0.0° | 0.2° |
| C4 | N9 | C3 | H2 | 180.0° | 179.9° |
| N9 | C4 | O12 | C1 | 179.3° | 180.0° |
| C4 | N9 | C3 | C2 | 0.0° | 0.2° |
| N9 | C4 | C1 | N7 | 0.4° | 0.0° |
| N9 | C4 | C1 | H1 | 179.7° | 179.6° |
| C3 | N9 | C4 | O12 | 179.8° | 180.0° |
| C3 | N9 | C4 | C1 | 0.4° | 0.0° |
| N9 | C3 | C2 | C5 | 180.0° | 180.0° |
| N9 | C3 | C2 | N7 | 0.5° | 0.5° |
| O12 | C4 | C1 | N7 | 179.8° | 180.0° |
| O12 | C4 | C1 | H1 | 0.2° | 0.3° |
| O12 | C4 | N9 | H2 | 0.3° | 0.1° |
| C6 | N10 | C5 | H3 | 180.0° | 179.2° |
| C6 | N10 | C5 | C2 | 0.4° | 0.9° |
| C6 | N10 | C5 | O13 | 179.8° | 179.1° |
| N10 | C6 | N11 | H4 | 179.9° | 0.1° |
| N10 | C6 | N11 | H5 | 0.2° | 180.0° |
| C4 | C1 | N7 | C2 | 0.1° | 0.3° |
| C4 | C1 | N7 | H1 | 180.0° | 179.6° |
| C1 | C4 | N9 | H2 | 179.6° | 180.0° |
| C3 | C2 | C5 | N10 | 0.3° | 0.5° |
| C3 | C2 | C5 | N7 | 179.6° | 179.5° |
| C3 | C2 | N7 | C1 | 0.5° | 0.5° |
| C3 | C2 | C5 | O13 | 180.0° | 179.5° |
| C2 | C3 | N9 | H2 | 180.0° | 179.7° |
| N10 | C5 | C2 | O13 | 179.7° | 180.0° |
| N10 | C5 | C2 | N7 | 179.9° | 180.0° |
| C5 | C2 | N7 | C1 | 180.0° | 179.9° |
| C2 | C5 | N10 | H3 | 179.6° | 180.0° |
| N7 | C2 | C5 | O13 | 0.4° | 0.0° |
| C2 | N7 | C1 | H1 | 179.9° | 179.9° |
| O13 | C5 | N10 | H3 | 0.2° | 0.1° |
