APN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8' | C7' | sing | 1.51Å | 1.54Å | |
| C8' | N9 | sing | 1.46Å | 1.49Å | |
| C8' | H8'1 | sing | 1.09Å | 1.10Å | |
| C8' | H8'2 | sing | 1.09Å | 1.10Å | |
| C7' | O7' | doub | 1.21Å | 1.23Å | |
| C7' | N4' | sing | 1.35Å | 1.36Å | |
| C5' | C | sing | 1.51Å | 1.53Å | |
| C5' | N4' | sing | 1.47Å | 1.48Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N4' | C3' | sing | 1.46Å | 1.48Å | |
| C3' | C2' | sing | 1.53Å | 1.54Å | |
| C3' | H3'1 | sing | 1.09Å | 1.10Å | |
| C3' | H3'2 | sing | 1.09Å | 1.10Å | |
| C2' | N | sing | 1.47Å | 1.45Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.38Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7' | C8' | N9 | 115.2° | 109.5° |
| C7' | C8' | H8'1 | 107.6° | 109.5° |
| C7' | C8' | H8'2 | 107.6° | 109.4° |
| C8' | C7' | O7' | 117.3° | 120.0° |
| C8' | C7' | N4' | 121.0° | 120.0° |
| N9 | C8' | H8'1 | 107.6° | 109.4° |
| N9 | C8' | H8'2 | 107.6° | 109.5° |
| C8' | N9 | C8 | 126.4° | 126.3° |
| C8' | N9 | C4 | 128.3° | 126.3° |
| H8'1 | C8' | H8'2 | 111.3° | 109.5° |
| O7' | C7' | N4' | 121.6° | 120.0° |
| C7' | N4' | C5' | 120.2° | 120.0° |
| C7' | N4' | C3' | 123.0° | 120.0° |
| C | C5' | N4' | 113.8° | 109.5° |
| C | C5' | H5'1 | 108.1° | 109.5° |
| C | C5' | H5'2 | 108.1° | 109.5° |
| C5' | C | O | 120.7° | 120.0° |
| C5' | C | OXT | 116.1° | 120.0° |
| N4' | C5' | H5'1 | 108.1° | 109.4° |
| N4' | C5' | H5'2 | 108.1° | 109.4° |
| C5' | N4' | C3' | 116.8° | 120.0° |
| H5'1 | C5' | H5'2 | 110.8° | 109.5° |
| O | C | OXT | 123.2° | 119.9° |
| C | OXT | HXT | 109.5° | 117.0° |
| N4' | C3' | C2' | 114.5° | 109.5° |
| N4' | C3' | H3'1 | 107.8° | 109.5° |
| N4' | C3' | H3'2 | 107.8° | 109.4° |
| C2' | C3' | H3'1 | 107.8° | 109.5° |
| C2' | C3' | H3'2 | 107.9° | 109.5° |
| C3' | C2' | N | 110.3° | 109.5° |
| C3' | C2' | H2'1 | 109.2° | 109.4° |
| C3' | C2' | H2'2 | 109.2° | 109.5° |
| H3'1 | C3' | H3'2 | 111.1° | 109.4° |
| N | C2' | H2'1 | 109.2° | 109.4° |
| N | C2' | H2'2 | 109.2° | 109.5° |
| C2' | N | H | 109.5° | 109.4° |
| C2' | N | H2 | 109.4° | 109.5° |
| C2' | N | H3 | 109.5° | 109.4° |
| H2'1 | C2' | H2'2 | 109.8° | 109.5° |
| H | N | H2 | 109.5° | 109.6° |
| H | N | H3 | 109.5° | 109.4° |
| H2 | N | H3 | 109.5° | 109.5° |
| C8 | N9 | C4 | 105.1° | 107.4° |
| N9 | C8 | N7 | 114.5° | 110.0° |
| N9 | C8 | H8 | 122.7° | 125.0° |
| N9 | C4 | C5 | 106.1° | 106.1° |
| N9 | C4 | N3 | 128.3° | 134.9° |
| N7 | C8 | H8 | 122.7° | 125.0° |
| C8 | N7 | C5 | 104.0° | 109.4° |
| N7 | C5 | C6 | 133.5° | 134.7° |
| N7 | C5 | C4 | 110.3° | 107.2° |
| C6 | C5 | C4 | 116.2° | 118.2° |
| C5 | C6 | N6 | 123.9° | 120.8° |
| C5 | C6 | N1 | 119.1° | 118.5° |
| C5 | C4 | N3 | 125.6° | 119.1° |
| N6 | C6 | N1 | 116.9° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N1 | C2 | 118.7° | 121.1° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
| N1 | C2 | N3 | 128.0° | 122.5° |
| N1 | C2 | H21 | 116.0° | 118.7° |
| N3 | C2 | H21 | 116.0° | 118.8° |
| C2 | N3 | C4 | 112.3° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7' | C8' | N9 | H8'1 | 120.0° | 120.0° |
| C7' | C8' | N9 | H8'2 | 120.0° | 120.0° |
| C7' | C8' | H8'1 | H8'2 | 117.6° | 120.0° |
| C8' | C7' | O7' | N4' | 177.5° | 180.0° |
| C8' | C7' | N4' | C5' | 165.0° | 0.0° |
| C8' | C7' | N4' | C3' | 16.4° | 180.0° |
| C7' | C8' | N9 | C8 | 130.0° | 95.0° |
| C7' | C8' | N9 | C4 | 56.2° | 84.7° |
| N9 | C8' | H8'1 | H8'2 | 117.6° | 120.0° |
| N9 | C8' | C7' | O7' | 64.9° | 0.0° |
| N9 | C8' | C7' | N4' | 117.6° | 180.0° |
| C8' | N9 | C8 | C4 | 174.9° | 179.8° |
| C8' | N9 | C8 | N7 | 175.6° | 180.0° |
| C8' | N9 | C8 | H8 | 4.4° | 0.0° |
| C8' | N9 | C4 | C5 | 176.0° | 179.9° |
| C8' | N9 | C4 | N3 | 4.1° | 0.8° |
| H8'1 | C8' | C7' | O7' | 175.1° | 120.0° |
| H8'1 | C8' | C7' | N4' | 2.5° | 60.0° |
| H8'1 | C8' | N9 | C8 | 109.9° | 145.0° |
| H8'1 | C8' | N9 | C4 | 63.8° | 35.3° |
| H8'2 | C8' | C7' | O7' | 55.1° | 120.0° |
| H8'2 | C8' | C7' | N4' | 122.5° | 60.0° |
| H8'2 | C8' | N9 | C8 | 10.1° | 25.0° |
| H8'2 | C8' | N9 | C4 | 176.2° | 155.3° |
| O7' | C7' | N4' | C5' | 12.4° | 180.0° |
| O7' | C7' | N4' | C3' | 166.2° | 0.0° |
| C7' | N4' | C5' | C | 136.2° | 90.0° |
| C7' | N4' | C5' | C3' | 178.7° | 180.0° |
| C7' | N4' | C5' | H5'1 | 103.8° | 30.0° |
| C7' | N4' | C5' | H5'2 | 16.2° | 150.0° |
| C7' | N4' | C3' | C2' | 105.8° | 90.0° |
| C7' | N4' | C3' | H3'1 | 14.2° | 150.0° |
| C7' | N4' | C3' | H3'2 | 134.2° | 30.0° |
| C | C5' | N4' | H5'1 | 120.0° | 120.0° |
| C | C5' | N4' | H5'2 | 120.0° | 120.0° |
| C | C5' | H5'1 | H5'2 | 118.2° | 120.1° |
| C5' | C | O | OXT | 177.8° | 180.0° |
| C5' | C | OXT | HXT | 177.9° | 180.0° |
| C | C5' | N4' | C3' | 42.5° | 90.0° |
| N4' | C5' | H5'1 | H5'2 | 118.2° | 120.0° |
| N4' | C5' | C | O | 105.2° | 0.0° |
| N4' | C5' | C | OXT | 72.8° | 180.0° |
| C5' | N4' | C3' | C2' | 75.5° | 90.0° |
| C5' | N4' | C3' | H3'1 | 164.5° | 30.0° |
| C5' | N4' | C3' | H3'2 | 44.5° | 150.0° |
| H5'1 | C5' | C | O | 14.8° | 120.0° |
| H5'1 | C5' | C | OXT | 167.2° | 60.0° |
| H5'1 | C5' | N4' | C3' | 77.5° | 150.0° |
| H5'2 | C5' | C | O | 134.8° | 120.0° |
| H5'2 | C5' | C | OXT | 47.2° | 60.1° |
| H5'2 | C5' | N4' | C3' | 162.5° | 30.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N4' | C3' | C2' | H3'1 | 120.0° | 120.0° |
| N4' | C3' | C2' | H3'2 | 120.0° | 120.0° |
| N4' | C3' | H3'1 | H3'2 | 117.9° | 119.9° |
| N4' | C3' | C2' | N | 64.7° | 180.0° |
| N4' | C3' | C2' | H2'1 | 175.3° | 60.0° |
| N4' | C3' | C2' | H2'2 | 55.2° | 60.0° |
| C2' | C3' | H3'1 | H3'2 | 118.0° | 120.0° |
| C3' | C2' | N | H2'1 | 120.0° | 120.0° |
| C3' | C2' | N | H2'2 | 120.0° | 120.0° |
| C3' | C2' | H2'1 | H2'2 | 119.7° | 120.0° |
| C3' | C2' | N | H | 180.0° | 59.9° |
| C3' | C2' | N | H2 | 60.0° | 180.0° |
| C3' | C2' | N | H3 | 60.0° | 60.0° |
| H3'1 | C3' | C2' | N | 55.2° | 60.0° |
| H3'1 | C3' | C2' | H2'1 | 64.7° | 180.0° |
| H3'1 | C3' | C2' | H2'2 | 175.2° | 60.0° |
| H3'2 | C3' | C2' | N | 175.3° | 60.0° |
| H3'2 | C3' | C2' | H2'1 | 55.3° | 60.0° |
| H3'2 | C3' | C2' | H2'2 | 64.7° | 180.0° |
| N | C2' | H2'1 | H2'2 | 119.7° | 120.0° |
| C2' | N | H | H2 | 120.0° | 120.0° |
| C2' | N | H | H3 | 120.0° | 119.9° |
| C2' | N | H2 | H3 | 120.0° | 120.0° |
| H2'1 | C2' | N | H | 60.0° | 60.0° |
| H2'1 | C2' | N | H2 | 180.0° | 60.1° |
| H2'1 | C2' | N | H3 | 60.0° | 179.9° |
| H2'2 | C2' | N | H | 60.0° | 180.0° |
| H2'2 | C2' | N | H2 | 60.0° | 60.0° |
| H2'2 | C2' | N | H3 | 180.0° | 60.1° |
| H | N | H2 | H3 | 120.0° | 120.1° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.2° | 0.0° |
| C8 | N9 | C4 | C5 | 1.2° | 0.4° |
| C8 | N9 | C4 | N3 | 178.9° | 179.5° |
| C4 | N9 | C8 | N7 | 0.7° | 0.3° |
| C4 | N9 | C8 | H8 | 179.3° | 179.8° |
| N9 | C4 | C5 | N7 | 1.4° | 0.4° |
| N9 | C4 | C5 | C6 | 178.2° | 179.8° |
| N9 | C4 | C5 | N3 | 179.8° | 179.2° |
| N9 | C4 | N3 | C2 | 179.0° | 179.6° |
| C8 | N7 | C5 | C6 | 178.5° | 180.0° |
| C8 | N7 | C5 | C4 | 1.0° | 0.2° |
| H8 | C8 | N7 | C5 | 179.8° | 180.0° |
| N7 | C5 | C6 | C4 | 179.5° | 179.8° |
| N7 | C5 | C6 | N6 | 1.9° | 0.0° |
| N7 | C5 | C6 | N1 | 179.5° | 180.0° |
| N7 | C5 | C4 | N3 | 178.7° | 179.6° |
| C5 | C6 | N6 | N1 | 178.6° | 179.9° |
| C5 | C6 | N6 | HN61 | 178.6° | 0.0° |
| C5 | C6 | N6 | HN62 | 61.3° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C6 | C5 | C4 | N3 | 1.7° | 0.6° |
| C4 | C5 | C6 | N6 | 177.6° | 179.7° |
| C4 | C5 | C6 | N1 | 1.1° | 0.2° |
| C5 | C4 | N3 | C2 | 0.8° | 0.6° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| N6 | C6 | N1 | C2 | 179.0° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.1° |
| C6 | N1 | C2 | N3 | 1.3° | 0.0° |
| C6 | N1 | C2 | H21 | 178.7° | 180.0° |
| N1 | C2 | N3 | H21 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.8° | 0.3° |
| H21 | C2 | N3 | C4 | 179.3° | 179.7° |
