MA6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.62Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | C4' | sing | 1.53Å | 1.54Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| N6 | C9 | sing | 1.47Å | 1.47Å | |
| N6 | C10 | sing | 1.47Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 128.9° | 122.4° |
| N3 | C2 | H2 | 115.5° | 118.8° |
| C2 | N3 | C4 | 110.4° | 120.7° |
| N1 | C2 | H2 | 115.6° | 118.7° |
| C2 | N1 | C6 | 120.1° | 121.2° |
| C5 | C4 | N9 | 105.9° | 106.0° |
| C5 | C4 | N3 | 127.4° | 119.1° |
| C4 | C5 | C6 | 117.1° | 118.2° |
| C4 | C5 | N7 | 110.1° | 107.2° |
| N9 | C4 | N3 | 126.8° | 134.9° |
| C4 | N9 | C1' | 125.8° | 126.3° |
| C4 | N9 | C8 | 106.4° | 107.5° |
| C6 | C5 | N7 | 132.7° | 134.7° |
| C5 | C6 | N1 | 116.1° | 118.5° |
| C5 | C6 | N6 | 126.4° | 120.8° |
| C5 | N7 | C8 | 104.2° | 109.5° |
| OP1 | P | OP2 | 117.7° | 109.4° |
| OP1 | P | OP3 | 106.0° | 109.5° |
| OP1 | P | O5' | 109.1° | 109.5° |
| OP2 | P | OP3 | 109.3° | 109.5° |
| OP2 | P | O5' | 110.8° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP3 | P | O5' | 102.9° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | O5' | C5' | 129.2° | 123.0° |
| O5' | C5' | C4' | 121.4° | 109.5° |
| O5' | C5' | H5' | 106.4° | 109.5° |
| O5' | C5' | H5'' | 106.4° | 109.5° |
| C4' | C5' | H5' | 106.4° | 109.4° |
| C4' | C5' | H5'' | 106.4° | 109.5° |
| C5' | C4' | O4' | 113.0° | 109.9° |
| C5' | C4' | C3' | 119.3° | 109.9° |
| C5' | C4' | H4' | 106.9° | 109.9° |
| H5' | C5' | H5'' | 109.4° | 109.4° |
| O4' | C4' | C3' | 102.4° | 107.3° |
| O4' | C4' | H4' | 107.9° | 109.8° |
| C4' | O4' | C1' | 108.9° | 107.0° |
| C3' | C4' | H4' | 106.9° | 110.0° |
| C4' | C3' | C2' | 99.2° | 104.2° |
| C4' | C3' | O3' | 105.2° | 110.5° |
| C4' | C3' | H3' | 110.2° | 110.4° |
| O4' | C1' | N9 | 108.6° | 110.7° |
| O4' | C1' | C2' | 106.2° | 103.5° |
| O4' | C1' | H1' | 109.3° | 110.5° |
| N9 | C1' | C2' | 115.8° | 110.6° |
| N9 | C1' | H1' | 108.9° | 110.6° |
| C1' | N9 | C8 | 127.7° | 126.2° |
| C2' | C1' | H1' | 108.0° | 110.7° |
| C1' | C2' | O2' | 111.1° | 110.9° |
| C1' | C2' | C3' | 97.3° | 102.1° |
| C1' | C2' | H2' | 109.8° | 110.9° |
| N9 | C8 | N7 | 113.3° | 109.9° |
| N9 | C8 | H8 | 123.3° | 125.0° |
| N1 | C6 | N6 | 117.5° | 120.7° |
| C6 | N6 | C9 | 121.3° | 111.0° |
| C6 | N6 | C10 | 123.7° | 111.0° |
| C9 | N6 | C10 | 114.9° | 111.0° |
| N6 | C9 | H91 | 109.5° | 109.4° |
| N6 | C9 | H92 | 109.5° | 109.5° |
| N6 | C9 | H93 | 109.4° | 109.5° |
| N6 | C10 | H101 | 109.5° | 109.5° |
| N6 | C10 | H102 | 109.5° | 109.5° |
| N6 | C10 | H103 | 109.5° | 109.4° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.4° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| N7 | C8 | H8 | 123.4° | 125.0° |
| O2' | C2' | C3' | 116.8° | 110.9° |
| O2' | C2' | H2' | 111.3° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 109.6° | 110.9° |
| C2' | C3' | O3' | 119.3° | 110.5° |
| C2' | C3' | H3' | 110.3° | 110.5° |
| O3' | C3' | H3' | 111.6° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | H2 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N9 | 178.7° | 180.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.1° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| C2 | N1 | C6 | C5 | 0.7° | 0.1° |
| C2 | N1 | C6 | N6 | 179.1° | 180.0° |
| H2 | C2 | N3 | C4 | 179.8° | 179.7° |
| H2 | C2 | N1 | C6 | 180.0° | 179.8° |
| C5 | C4 | N9 | N3 | 179.2° | 179.9° |
| C4 | C5 | C6 | N7 | 179.6° | 180.0° |
| C5 | C4 | N9 | C1' | 176.5° | 180.0° |
| C5 | C4 | N9 | C8 | 1.9° | 0.0° |
| C4 | C5 | C6 | N1 | 1.1° | 0.1° |
| C4 | C5 | C6 | N6 | 178.7° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| N9 | C4 | C5 | C6 | 178.3° | 180.0° |
| N9 | C4 | C5 | N7 | 1.4° | 0.0° |
| C4 | N9 | C1' | O4' | 148.8° | 156.4° |
| C4 | N9 | C1' | C8 | 178.1° | 180.0° |
| C4 | N9 | C1' | C2' | 91.9° | 89.5° |
| C4 | N9 | C1' | H1' | 30.0° | 33.5° |
| C4 | N9 | C8 | N7 | 1.9° | 0.0° |
| C4 | N9 | C8 | H8 | 178.1° | 179.9° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| N3 | C4 | C5 | N7 | 179.4° | 180.0° |
| N3 | C4 | N9 | C1' | 2.7° | 0.1° |
| N3 | C4 | N9 | C8 | 178.9° | 180.0° |
| C5 | C6 | N1 | N6 | 179.8° | 180.0° |
| C5 | C6 | N6 | C9 | 0.2° | 180.0° |
| C5 | C6 | N6 | C10 | 177.4° | 56.1° |
| C6 | C5 | N7 | C8 | 179.3° | 180.0° |
| C5 | N7 | C8 | N9 | 1.0° | 0.0° |
| N7 | C5 | C6 | N1 | 179.3° | 180.0° |
| N7 | C5 | C6 | N6 | 0.9° | 0.0° |
| C5 | N7 | C8 | H8 | 179.0° | 179.9° |
| OP1 | P | OP2 | OP3 | 120.9° | 120.0° |
| OP1 | P | OP2 | O5' | 126.5° | 120.0° |
| OP1 | P | OP3 | O5' | 114.5° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 60.1° |
| OP1 | P | O5' | C5' | 149.5° | 55.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP2 | P | OP3 | O5' | 117.8° | 120.0° |
| OP2 | P | O5' | C5' | 18.4° | 175.0° |
| OP2 | P | OP3 | HOP3 | 127.7° | 60.1° |
| OP3 | P | OP2 | HOP2 | 120.9° | 59.9° |
| OP3 | P | O5' | C5' | 98.3° | 65.0° |
| O5' | P | OP2 | HOP2 | 126.5° | 179.9° |
| P | O5' | C5' | C4' | 19.6° | 180.0° |
| P | O5' | C5' | H5' | 141.3° | 60.0° |
| P | O5' | C5' | H5'' | 102.1° | 59.9° |
| O5' | P | OP3 | HOP3 | 114.5° | 59.9° |
| O5' | C5' | C4' | H5' | 121.7° | 120.0° |
| O5' | C5' | C4' | H5'' | 121.7° | 120.1° |
| O5' | C5' | H5' | H5'' | 114.6° | 120.0° |
| O5' | C5' | C4' | O4' | 62.0° | 66.4° |
| O5' | C5' | C4' | C3' | 177.7° | 175.7° |
| O5' | C5' | C4' | H4' | 56.5° | 54.6° |
| C4' | C5' | H5' | H5'' | 114.6° | 120.0° |
| C5' | C4' | O4' | C3' | 129.5° | 119.5° |
| C5' | C4' | O4' | H4' | 118.0° | 121.0° |
| C5' | C4' | C3' | H4' | 121.3° | 121.1° |
| C5' | C4' | O4' | C1' | 110.6° | 145.9° |
| C5' | C4' | C3' | C2' | 82.7° | 121.5° |
| C5' | C4' | C3' | O3' | 153.4° | 119.8° |
| C5' | C4' | C3' | H3' | 33.0° | 2.8° |
| H5' | C5' | C4' | O4' | 59.7° | 53.6° |
| H5' | C5' | C4' | C3' | 60.6° | 64.3° |
| H5' | C5' | C4' | H4' | 178.2° | 174.6° |
| H5'' | C5' | C4' | O4' | 176.3° | 173.6° |
| H5'' | C5' | C4' | C3' | 56.1° | 55.7° |
| H5'' | C5' | C4' | H4' | 65.2° | 65.5° |
| O4' | C4' | C3' | H4' | 113.2° | 119.4° |
| C4' | O4' | C1' | N9 | 138.4° | 158.5° |
| C4' | O4' | C1' | C2' | 13.2° | 40.0° |
| C4' | O4' | C1' | H1' | 103.0° | 78.6° |
| O4' | C4' | C3' | C2' | 42.8° | 2.0° |
| O4' | C4' | C3' | O3' | 81.1° | 120.7° |
| O4' | C4' | C3' | H3' | 158.5° | 116.7° |
| C3' | C4' | O4' | C1' | 18.9° | 26.4° |
| C4' | C3' | C2' | C1' | 48.9° | 20.9° |
| C4' | C3' | C2' | O2' | 167.1° | 139.1° |
| C4' | C3' | C2' | O3' | 113.3° | 118.7° |
| C4' | C3' | C2' | H3' | 115.7° | 118.6° |
| C4' | C3' | C2' | H2' | 65.2° | 97.3° |
| C4' | C3' | O3' | H3' | 119.5° | 122.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| H4' | C4' | O4' | C1' | 131.4° | 93.1° |
| H4' | C4' | C3' | C2' | 156.1° | 117.4° |
| H4' | C4' | C3' | O3' | 32.2° | 1.3° |
| H4' | C4' | C3' | H3' | 88.2° | 123.9° |
| O4' | C1' | N9 | C2' | 119.3° | 114.1° |
| O4' | C1' | N9 | H1' | 118.8° | 122.8° |
| O4' | C1' | C2' | H1' | 117.1° | 118.5° |
| O4' | C1' | N9 | C8 | 29.3° | 23.6° |
| O4' | C1' | C2' | O2' | 161.8° | 155.2° |
| O4' | C1' | C2' | C3' | 39.3° | 37.0° |
| O4' | C1' | C2' | H2' | 74.7° | 81.2° |
| N9 | C1' | C2' | H1' | 122.3° | 123.0° |
| C1' | N9 | C8 | N7 | 176.5° | 180.0° |
| C1' | N9 | C8 | H8 | 3.5° | 0.1° |
| N9 | C1' | C2' | O2' | 77.6° | 86.3° |
| N9 | C1' | C2' | C3' | 159.9° | 155.6° |
| N9 | C1' | C2' | H2' | 46.0° | 37.3° |
| C2' | C1' | N9 | C8 | 90.0° | 90.5° |
| C1' | C2' | O2' | C3' | 110.4° | 112.7° |
| C1' | C2' | O2' | H2' | 122.7° | 123.6° |
| C1' | C2' | C3' | H2' | 114.1° | 118.2° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O3' | 64.4° | 97.8° |
| C1' | C2' | C3' | H3' | 164.6° | 139.5° |
| H1' | C1' | N9 | C8 | 148.1° | 146.4° |
| H1' | C1' | C2' | O2' | 44.7° | 36.7° |
| H1' | C1' | C2' | C3' | 77.8° | 81.5° |
| H1' | C1' | C2' | H2' | 168.3° | 160.3° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N1 | C6 | N6 | C9 | 179.6° | 0.0° |
| N1 | C6 | N6 | C10 | 2.3° | 124.0° |
| C6 | N6 | C9 | C10 | 177.5° | 124.0° |
| C6 | N6 | C9 | H91 | 180.0° | 60.0° |
| C6 | N6 | C9 | H92 | 60.0° | 180.0° |
| C6 | N6 | C9 | H93 | 60.0° | 60.0° |
| C6 | N6 | C10 | H101 | 180.0° | 59.9° |
| C6 | N6 | C10 | H102 | 60.0° | 180.0° |
| C6 | N6 | C10 | H103 | 60.0° | 60.0° |
| N6 | C9 | H91 | H92 | 120.0° | 120.0° |
| N6 | C9 | H91 | H93 | 120.0° | 120.0° |
| N6 | C9 | H92 | H93 | 120.0° | 120.0° |
| C9 | N6 | C10 | H101 | 2.6° | 176.1° |
| C9 | N6 | C10 | H102 | 122.5° | 56.0° |
| C9 | N6 | C10 | H103 | 117.4° | 64.0° |
| C10 | N6 | C9 | H91 | 2.5° | 63.9° |
| C10 | N6 | C9 | H92 | 117.5° | 56.0° |
| C10 | N6 | C9 | H93 | 122.5° | 176.0° |
| N6 | C10 | H101 | H102 | 120.0° | 120.1° |
| N6 | C10 | H101 | H103 | 120.0° | 119.9° |
| N6 | C10 | H102 | H103 | 120.0° | 120.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.1° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| O2' | C2' | C3' | H2' | 127.7° | 123.6° |
| O2' | C2' | C3' | O3' | 53.7° | 20.4° |
| O2' | C2' | C3' | H3' | 77.3° | 102.3° |
| C3' | C2' | O2' | HO2' | 69.6° | 67.3° |
| C2' | C3' | O3' | H3' | 130.4° | 122.7° |
| C2' | C3' | O3' | HO3' | 70.0° | 65.3° |
| H2' | C2' | O2' | HO2' | 57.2° | 56.3° |
| H2' | C2' | C3' | O3' | 178.5° | 144.0° |
| H2' | C2' | C3' | H3' | 50.4° | 21.3° |
| H3' | C3' | O3' | HO3' | 60.5° | 57.4° |
