M02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAM | CAK | sing | 1.53Å | 1.53Å | |
| CAM | N10 | sing | 1.50Å | 1.50Å | |
| CAO | C7 | sing | 1.52Å | 1.52Å | |
| CAK | CAP | sing | 1.52Å | 1.52Å | |
| CAP | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C6 | sing | 1.42Å | 1.42Å | |
| N6 | C7 | sing | 1.47Å | 1.47Å | |
| C6 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.34Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | N7 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.35Å | 1.35Å | Aromatic |
| CAM | HAM | sing | 1.10Å | 1.10Å | |
| CAO | HAO1 | sing | 1.10Å | 1.10Å | |
| CAO | HAO2 | sing | 1.10Å | 1.10Å | |
| CAK | HAK1 | sing | 1.10Å | 1.10Å | |
| CAK | HAK2 | sing | 1.10Å | 1.10Å | |
| N10 | H101 | sing | 1.00Å | 1.00Å | |
| N10 | H102 | sing | 1.00Å | 1.00Å | |
| C7 | H7C1 | sing | 1.10Å | 1.10Å | |
| C7 | H7C2 | sing | 1.10Å | 1.10Å | |
| CAP | HAP1 | sing | 1.10Å | 1.10Å | |
| CAP | HAP2 | sing | 1.10Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 1.00Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAM | CAK | 110.2° | 110.2° |
| CAO | CAM | N10 | 107.7° | 107.7° |
| CAM | CAO | C7 | 112.7° | 112.7° |
| CAO | CAM | HAM | 110.4° | 110.4° |
| CAM | CAO | HAO1 | 108.4° | 108.4° |
| CAM | CAO | HAO2 | 107.7° | 107.7° |
| CAK | CAM | N10 | 110.4° | 110.4° |
| CAM | CAK | CAP | 111.0° | 111.0° |
| CAK | CAM | HAM | 107.8° | 107.8° |
| CAM | CAK | HAK1 | 109.0° | 109.0° |
| CAM | CAK | HAK2 | 108.6° | 108.6° |
| N10 | CAM | HAM | 110.4° | 110.4° |
| CAM | N10 | H101 | 109.5° | 109.5° |
| CAM | N10 | H102 | 109.4° | 109.4° |
| CAO | C7 | N6 | 111.5° | 111.5° |
| C7 | CAO | HAO1 | 108.4° | 108.4° |
| C7 | CAO | HAO2 | 107.7° | 107.7° |
| CAO | C7 | H7C1 | 108.8° | 108.8° |
| CAO | C7 | H7C2 | 108.3° | 108.3° |
| CAK | CAP | N6 | 110.1° | 110.1° |
| CAP | CAK | HAK1 | 108.9° | 108.9° |
| CAP | CAK | HAK2 | 108.6° | 108.6° |
| CAK | CAP | HAP1 | 109.2° | 109.2° |
| CAK | CAP | HAP2 | 109.1° | 109.1° |
| CAP | N6 | C6 | 122.1° | 122.1° |
| CAP | N6 | C7 | 110.1° | 110.1° |
| N6 | CAP | HAP1 | 109.3° | 109.3° |
| N6 | CAP | HAP2 | 109.1° | 109.1° |
| C6 | N6 | C7 | 126.6° | 126.6° |
| N6 | C6 | N1 | 116.4° | 116.4° |
| N6 | C6 | C5 | 125.3° | 125.3° |
| N6 | C7 | H7C1 | 108.8° | 108.8° |
| N6 | C7 | H7C2 | 108.3° | 108.3° |
| N1 | C6 | C5 | 118.3° | 118.3° |
| C6 | N1 | C2 | 118.1° | 118.1° |
| C6 | C5 | C4 | 117.1° | 117.1° |
| C6 | C5 | N7 | 133.0° | 133.0° |
| N1 | C2 | N3 | 128.7° | 128.7° |
| N1 | C2 | H2 | 115.7° | 115.7° |
| C2 | N3 | C4 | 111.6° | 111.6° |
| N3 | C2 | H2 | 115.7° | 115.7° |
| N3 | C4 | C5 | 126.3° | 126.3° |
| N3 | C4 | N9 | 127.6° | 127.6° |
| C5 | C4 | N9 | 106.1° | 106.1° |
| C4 | C5 | N7 | 109.9° | 109.9° |
| C4 | N9 | C8 | 107.9° | 107.9° |
| C4 | N9 | H9 | 126.1° | 126.1° |
| C5 | N7 | C8 | 104.2° | 104.2° |
| N7 | C8 | N9 | 111.8° | 111.8° |
| N7 | C8 | H8 | 124.1° | 124.1° |
| C8 | N9 | H9 | 126.1° | 126.1° |
| N9 | C8 | H8 | 124.1° | 124.1° |
| HAO1 | CAO | HAO2 | 112.0° | 112.0° |
| HAK1 | CAK | HAK2 | 110.7° | 110.7° |
| H101 | N10 | H102 | 109.5° | 109.5° |
| H7C1 | C7 | H7C2 | 111.1° | 111.1° |
| HAP1 | CAP | HAP2 | 110.0° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAM | CAK | N10 | 118.8° | 118.8° |
| CAO | CAM | CAK | HAM | 120.6° | 120.6° |
| CAO | CAM | N10 | HAM | 120.6° | 120.6° |
| CAM | CAO | C7 | HAO1 | 120.0° | 120.0° |
| CAM | CAO | C7 | HAO2 | 118.6° | 118.6° |
| CAO | CAM | CAK | CAP | 51.6° | 51.6° |
| CAM | CAO | C7 | N6 | 53.0° | 53.0° |
| CAM | CAO | HAO1 | HAO2 | 118.7° | 118.7° |
| CAO | CAM | CAK | HAK1 | 68.4° | 68.4° |
| CAO | CAM | CAK | HAK2 | 171.0° | 171.0° |
| CAO | CAM | N10 | H101 | 26.4° | 26.4° |
| CAO | CAM | N10 | H102 | 146.4° | 146.4° |
| CAM | CAO | C7 | H7C1 | 67.0° | 67.0° |
| CAM | CAO | C7 | H7C2 | 172.1° | 172.1° |
| CAK | CAM | N10 | HAM | 119.0° | 119.0° |
| CAK | CAM | CAO | C7 | 48.6° | 48.6° |
| CAM | CAK | CAP | HAK1 | 120.0° | 120.0° |
| CAM | CAK | CAP | HAK2 | 119.3° | 119.3° |
| CAM | CAK | CAP | N6 | 59.4° | 59.4° |
| CAK | CAM | CAO | HAO1 | 168.6° | 168.6° |
| CAK | CAM | CAO | HAO2 | 70.0° | 70.0° |
| CAM | CAK | HAK1 | HAK2 | 119.3° | 119.3° |
| CAK | CAM | N10 | H101 | 146.8° | 146.8° |
| CAK | CAM | N10 | H102 | 93.2° | 93.2° |
| CAM | CAK | CAP | HAP1 | 179.4° | 179.4° |
| CAM | CAK | CAP | HAP2 | 60.3° | 60.3° |
| N10 | CAM | CAO | C7 | 169.1° | 169.1° |
| N10 | CAM | CAK | CAP | 170.4° | 170.4° |
| N10 | CAM | CAO | HAO1 | 70.9° | 70.9° |
| N10 | CAM | CAO | HAO2 | 50.4° | 50.4° |
| N10 | CAM | CAK | HAK1 | 50.5° | 50.5° |
| N10 | CAM | CAK | HAK2 | 70.2° | 70.2° |
| CAM | N10 | H101 | H102 | 120.0° | 120.0° |
| CAO | C7 | N6 | CAP | 59.6° | 59.6° |
| CAO | C7 | N6 | C6 | 107.7° | 107.7° |
| CAO | C7 | N6 | H7C1 | 120.0° | 120.0° |
| CAO | C7 | N6 | H7C2 | 119.1° | 119.1° |
| C7 | CAO | CAM | HAM | 70.4° | 70.4° |
| C7 | CAO | HAO1 | HAO2 | 118.7° | 118.7° |
| CAO | C7 | H7C1 | H7C2 | 119.2° | 119.2° |
| CAK | CAP | N6 | HAP1 | 120.0° | 120.0° |
| CAK | CAP | N6 | HAP2 | 119.7° | 119.7° |
| CAK | CAP | N6 | C6 | 105.1° | 105.1° |
| CAK | CAP | N6 | C7 | 62.9° | 62.9° |
| CAP | CAK | CAM | HAM | 69.0° | 69.0° |
| CAP | CAK | HAK1 | HAK2 | 119.4° | 119.4° |
| CAK | CAP | HAP1 | HAP2 | 119.7° | 119.7° |
| CAP | N6 | C6 | C7 | 165.9° | 165.9° |
| CAP | N6 | C6 | N1 | 9.1° | 9.1° |
| CAP | N6 | C6 | C5 | 170.7° | 170.7° |
| N6 | CAP | CAK | HAK1 | 60.6° | 60.6° |
| N6 | CAP | CAK | HAK2 | 178.7° | 178.7° |
| CAP | N6 | C7 | H7C1 | 60.4° | 60.4° |
| CAP | N6 | C7 | H7C2 | 178.8° | 178.8° |
| N6 | CAP | HAP1 | HAP2 | 119.8° | 119.8° |
| N6 | C6 | N1 | C5 | 179.8° | 179.8° |
| N6 | C6 | N1 | C2 | 179.5° | 179.5° |
| N6 | C6 | C5 | C4 | 179.8° | 179.8° |
| N6 | C6 | C5 | N7 | 0.1° | 0.1° |
| C6 | N6 | C7 | H7C1 | 132.3° | 132.3° |
| C6 | N6 | C7 | H7C2 | 11.4° | 11.4° |
| C6 | N6 | CAP | HAP1 | 14.9° | 14.9° |
| C6 | N6 | CAP | HAP2 | 135.1° | 135.1° |
| C7 | N6 | C6 | N1 | 156.8° | 156.8° |
| C7 | N6 | C6 | C5 | 23.4° | 23.4° |
| N6 | C7 | CAO | HAO1 | 173.0° | 173.0° |
| N6 | C7 | CAO | HAO2 | 65.6° | 65.6° |
| N6 | C7 | H7C1 | H7C2 | 119.1° | 119.1° |
| C7 | N6 | CAP | HAP1 | 177.1° | 177.1° |
| C7 | N6 | CAP | HAP2 | 56.8° | 56.8° |
| C6 | N1 | C2 | N3 | 1.5° | 1.5° |
| N1 | C6 | C5 | C4 | 0.4° | 0.4° |
| N1 | C6 | C5 | N7 | 179.9° | 179.9° |
| C6 | N1 | C2 | H2 | 178.5° | 178.5° |
| C5 | C6 | N1 | C2 | 0.3° | 0.3° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C6 | C5 | C4 | N7 | 179.8° | 179.8° |
| C6 | C5 | C4 | N9 | 179.9° | 179.9° |
| C6 | C5 | N7 | C8 | 179.0° | 179.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.7° | 1.7° |
| C2 | N3 | C4 | C5 | 0.8° | 0.8° |
| C2 | N3 | C4 | N9 | 179.1° | 179.1° |
| N3 | C4 | C5 | N9 | 180.0° | 180.0° |
| N3 | C4 | C5 | N7 | 179.9° | 179.9° |
| N3 | C4 | N9 | C8 | 179.1° | 179.1° |
| C4 | N3 | C2 | H2 | 178.3° | 178.3° |
| N3 | C4 | N9 | H9 | 0.9° | 0.9° |
| C4 | C5 | N7 | C8 | 0.7° | 0.7° |
| C5 | C4 | N9 | C8 | 0.9° | 0.9° |
| C5 | C4 | N9 | H9 | 179.1° | 179.1° |
| N9 | C4 | C5 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | N7 | 1.5° | 1.5° |
| C4 | N9 | C8 | H9 | 180.0° | 180.0° |
| C4 | N9 | C8 | H8 | 178.6° | 178.6° |
| C5 | N7 | C8 | N9 | 1.3° | 1.3° |
| C5 | N7 | C8 | H8 | 178.7° | 178.7° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | H9 | 178.6° | 178.6° |
| HAM | CAM | CAO | HAO1 | 49.6° | 49.6° |
| HAM | CAM | CAO | HAO2 | 171.0° | 171.0° |
| HAM | CAM | CAK | HAK1 | 171.0° | 171.0° |
| HAM | CAM | CAK | HAK2 | 50.4° | 50.4° |
| HAM | CAM | N10 | H101 | 94.2° | 94.2° |
| HAM | CAM | N10 | H102 | 25.8° | 25.8° |
| HAO1 | CAO | C7 | H7C1 | 53.1° | 53.1° |
| HAO1 | CAO | C7 | H7C2 | 67.8° | 67.8° |
| HAO2 | CAO | C7 | H7C1 | 174.4° | 174.4° |
| HAO2 | CAO | C7 | H7C2 | 53.5° | 53.5° |
| HAK1 | CAK | CAP | HAP1 | 59.4° | 59.4° |
| HAK1 | CAK | CAP | HAP2 | 179.7° | 179.7° |
| HAK2 | CAK | CAP | HAP1 | 61.3° | 61.3° |
| HAK2 | CAK | CAP | HAP2 | 59.0° | 59.0° |
| H9 | N9 | C8 | H8 | 1.4° | 1.4° |
