9FZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C7 | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C7 | N6 | sing | 1.34Å | 1.35Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.38Å | Aromatic |
| N6 | N5 | doub | 1.29Å | 1.41Å | Aromatic |
| C8 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| C1 | CB | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| N5 | N4 | sing | 1.29Å | 1.40Å | Aromatic |
| N4 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | N6 | 133.4° | 126.8° |
| C9 | C7 | C8 | 114.4° | 126.8° |
| C7 | C9 | H13 | 109.5° | 109.5° |
| C7 | C9 | H14 | 109.4° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.5° |
| O | C | CA | 120.4° | 120.0° |
| O | C | OXT | 122.9° | 120.0° |
| C | CA | N | 110.8° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | HA | 108.5° | 109.5° |
| CA | C | OXT | 116.7° | 120.0° |
| N6 | C7 | C8 | 112.2° | 106.5° |
| C7 | N6 | N5 | 106.0° | 108.9° |
| C7 | C8 | N4 | 104.6° | 106.1° |
| C7 | C8 | H12 | 127.7° | 126.9° |
| N6 | N5 | N4 | 105.4° | 110.2° |
| C8 | N4 | N5 | 111.8° | 108.3° |
| C8 | N4 | C2 | 132.6° | 125.8° |
| N4 | C8 | H12 | 127.7° | 127.0° |
| N | CA | CB | 110.3° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | HA | 108.8° | 109.5° |
| CA | CB | C1 | 110.3° | 109.5° |
| CB | CA | HA | 108.3° | 109.5° |
| CA | CB | H8 | 109.2° | 109.5° |
| CA | CB | H9 | 109.3° | 109.5° |
| CB | C1 | C2 | 111.6° | 109.5° |
| C1 | CB | H8 | 109.2° | 109.4° |
| C1 | CB | H9 | 109.3° | 109.5° |
| CB | C1 | H10 | 108.9° | 109.4° |
| CB | C1 | H11 | 108.9° | 109.4° |
| C1 | C2 | N4 | 107.8° | 109.5° |
| C1 | C2 | H1 | 109.9° | 109.5° |
| C1 | C2 | H3 | 109.9° | 109.5° |
| C2 | C1 | H10 | 109.0° | 109.5° |
| C2 | C1 | H11 | 108.9° | 109.5° |
| N5 | N4 | C2 | 115.6° | 125.9° |
| N4 | C2 | H1 | 109.9° | 109.5° |
| N4 | C2 | H3 | 109.9° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| H8 | CB | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.4° |
| H13 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | N6 | C8 | 180.0° | 179.7° |
| C9 | C7 | N6 | N5 | 180.0° | 179.7° |
| C9 | C7 | C8 | N4 | 180.0° | 179.7° |
| C9 | C7 | C8 | H12 | 0.0° | 0.2° |
| C7 | C9 | H13 | H14 | 120.0° | 120.0° |
| C7 | C9 | H13 | H15 | 120.0° | 120.1° |
| C7 | C9 | H14 | H15 | 120.0° | 120.1° |
| O | C | CA | OXT | 179.6° | 179.9° |
| O | C | CA | N | 67.2° | 19.9° |
| O | C | CA | CB | 55.1° | 100.0° |
| O | C | CA | HA | 173.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 122.2° | 120.0° |
| C | CA | N | HA | 119.2° | 120.0° |
| C | CA | CB | HA | 118.4° | 120.0° |
| C | CA | CB | C1 | 55.3° | 175.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | H8 | 175.4° | 65.0° |
| C | CA | CB | H9 | 64.9° | 55.0° |
| CA | C | OXT | HXT | 179.6° | 179.9° |
| N6 | C7 | C8 | N4 | 0.1° | 0.0° |
| C7 | N6 | N5 | N4 | 0.0° | 0.0° |
| N6 | C7 | C8 | H12 | 179.9° | 180.0° |
| N6 | C7 | C9 | H13 | 0.0° | 90.1° |
| N6 | C7 | C9 | H14 | 120.0° | 150.0° |
| N6 | C7 | C9 | H15 | 120.0° | 30.0° |
| C8 | C7 | N6 | N5 | 0.0° | 0.0° |
| C7 | C8 | N4 | H12 | 180.0° | 180.0° |
| C7 | C8 | N4 | N5 | 0.1° | 0.0° |
| C7 | C8 | N4 | C2 | 179.8° | 180.0° |
| C8 | C7 | C9 | H13 | 179.9° | 90.3° |
| C8 | C7 | C9 | H14 | 60.0° | 29.7° |
| C8 | C7 | C9 | H15 | 60.0° | 149.7° |
| N6 | N5 | N4 | C8 | 0.1° | 0.0° |
| N6 | N5 | N4 | C2 | 179.8° | 180.0° |
| C8 | N4 | C2 | C1 | 53.9° | 125.0° |
| C8 | N4 | N5 | C2 | 179.8° | 180.0° |
| C8 | N4 | C2 | H1 | 65.8° | 5.0° |
| C8 | N4 | C2 | H3 | 173.7° | 115.0° |
| N | CA | CB | HA | 118.9° | 120.0° |
| N | CA | CB | C1 | 177.9° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.1° |
| N | CA | CB | H8 | 62.0° | 55.0° |
| N | CA | CB | H9 | 57.7° | 175.0° |
| N | CA | C | OXT | 112.4° | 160.0° |
| CA | CB | C1 | H8 | 120.1° | 120.0° |
| CA | CB | C1 | H9 | 120.2° | 120.0° |
| CA | CB | C1 | C2 | 171.9° | 180.0° |
| CB | CA | N | H | 57.8° | 176.0° |
| CB | CA | N | H2 | 177.8° | 60.0° |
| CA | CB | H8 | H9 | 119.6° | 120.0° |
| CA | CB | C1 | H10 | 67.7° | 60.0° |
| CA | CB | C1 | H11 | 51.7° | 60.0° |
| CB | CA | C | OXT | 125.2° | 80.0° |
| CB | C1 | C2 | H10 | 120.3° | 120.0° |
| CB | C1 | C2 | H11 | 120.3° | 120.0° |
| CB | C1 | C2 | N4 | 172.7° | 180.0° |
| CB | C1 | C2 | H1 | 53.0° | 60.0° |
| CB | C1 | C2 | H3 | 67.6° | 60.0° |
| C1 | CB | CA | HA | 63.2° | 55.0° |
| C1 | CB | H8 | H9 | 119.6° | 120.0° |
| CB | C1 | H10 | H11 | 119.0° | 120.0° |
| C1 | C2 | N4 | N5 | 125.8° | 55.0° |
| C1 | C2 | N4 | H1 | 119.7° | 120.0° |
| C1 | C2 | N4 | H3 | 119.7° | 120.0° |
| C1 | C2 | H1 | H3 | 120.8° | 120.0° |
| C2 | C1 | CB | H8 | 51.8° | 60.0° |
| C2 | C1 | CB | H9 | 67.9° | 60.0° |
| C2 | C1 | H10 | H11 | 119.0° | 120.0° |
| N5 | N4 | C2 | H1 | 114.5° | 175.0° |
| N5 | N4 | C2 | H3 | 6.0° | 65.0° |
| N5 | N4 | C8 | H12 | 179.9° | 180.0° |
| N4 | C2 | H1 | H3 | 120.7° | 120.0° |
| N4 | C2 | C1 | H10 | 67.0° | 60.0° |
| N4 | C2 | C1 | H11 | 52.4° | 60.0° |
| C2 | N4 | C8 | H12 | 0.2° | 0.0° |
| H1 | C2 | C1 | H10 | 173.3° | 60.0° |
| H1 | C2 | C1 | H11 | 67.3° | 180.0° |
| H3 | C2 | C1 | H10 | 52.7° | 180.0° |
| H3 | C2 | C1 | H11 | 172.1° | 60.0° |
| H | N | CA | HA | 60.8° | 56.0° |
| H2 | N | CA | HA | 59.2° | 180.0° |
| HA | CA | CB | H8 | 56.9° | 175.0° |
| HA | CA | CB | H9 | 176.7° | 65.0° |
| HA | CA | C | OXT | 6.9° | 39.9° |
| H8 | CB | C1 | H10 | 172.2° | 60.0° |
| H8 | CB | C1 | H11 | 68.5° | 180.0° |
| H9 | CB | C1 | H10 | 52.4° | 180.0° |
| H9 | CB | C1 | H11 | 171.8° | 60.0° |
| H13 | C9 | H14 | H15 | 120.0° | 120.0° |
