SMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | CMP | sing | 1.78Å | 1.77Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.60Å | |
| P | OP3 | sing | 1.62Å | 10.89Å | |
| CMP | HMP1 | sing | 1.09Å | 1.10Å | |
| CMP | HMP2 | sing | 1.09Å | 1.10Å | |
| CMP | HMP3 | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.42Å | 1.40Å | |
| C5' | C4' | sing | 1.52Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.40Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.52Å | 1.51Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.41Å | 1.32Å | |
| C6 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| N6 | H61 | sing | 1.00Å | 1.00Å | |
| N6 | H62 | sing | 1.00Å | 1.00Å | |
| N1 | C2 | doub | 1.36Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.35Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| C3' | C2' | sing | 1.51Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CMP | P | OP1 | 102.9° | 113.7° |
| CMP | P | O5' | 117.3° | 105.6° |
| CMP | P | OP3 | 136.7° | 103.7° |
| P | CMP | HMP1 | 109.5° | 110.1° |
| P | CMP | HMP2 | 109.5° | 110.0° |
| P | CMP | HMP3 | 109.5° | 110.1° |
| OP1 | P | O5' | 107.6° | 114.3° |
| OP1 | P | OP3 | 119.7° | 114.1° |
| O5' | P | OP3 | 58.7° | 104.3° |
| P | O5' | C5' | 120.5° | 121.0° |
| P | OP3 | HOP3 | 136.7° | 118.9° |
| HMP1 | CMP | HMP2 | 109.5° | 108.8° |
| HMP1 | CMP | HMP3 | 109.5° | 108.9° |
| HMP2 | CMP | HMP3 | 109.4° | 108.8° |
| O5' | C5' | C4' | 112.5° | 108.7° |
| O5' | C5' | H5' | 107.8° | 109.2° |
| O5' | C5' | H5'' | 108.5° | 109.2° |
| C4' | C5' | H5' | 107.8° | 110.1° |
| C4' | C5' | H5'' | 108.5° | 110.1° |
| C5' | C4' | O4' | 110.0° | 108.0° |
| C5' | C4' | C3' | 117.1° | 112.7° |
| C5' | C4' | H4' | 102.9° | 109.4° |
| H5' | C5' | H5'' | 111.8° | 109.6° |
| O4' | C4' | C3' | 107.1° | 106.8° |
| O4' | C4' | H4' | 113.8° | 107.7° |
| C4' | O4' | C1' | 108.2° | 108.7° |
| C3' | C4' | H4' | 106.1° | 112.0° |
| C4' | C3' | C2' | 101.3° | 103.2° |
| C4' | C3' | O3' | 105.3° | 109.6° |
| C4' | C3' | H3' | 119.4° | 114.0° |
| O4' | C1' | N9 | 110.3° | 110.0° |
| O4' | C1' | C2' | 101.7° | 106.7° |
| O4' | C1' | H1' | 114.6° | 108.1° |
| N9 | C1' | C2' | 111.4° | 114.3° |
| N9 | C1' | H1' | 105.5° | 105.9° |
| C1' | N9 | C8 | 128.5° | 126.2° |
| C1' | N9 | C4 | 124.8° | 126.9° |
| C2' | C1' | H1' | 113.5° | 111.7° |
| C1' | C2' | C3' | 102.3° | 101.6° |
| C1' | C2' | H2' | 113.5° | 110.5° |
| C1' | C2' | H2'' | 112.0° | 111.7° |
| C8 | N9 | C4 | 106.4° | 106.9° |
| N9 | C8 | N7 | 113.7° | 112.3° |
| N9 | C8 | H8 | 123.1° | 122.2° |
| N9 | C4 | C5 | 105.4° | 105.3° |
| N9 | C4 | N3 | 128.2° | 127.5° |
| N7 | C8 | H8 | 123.1° | 125.6° |
| C8 | N7 | C5 | 103.6° | 104.9° |
| N7 | C5 | C6 | 133.2° | 132.4° |
| N7 | C5 | C4 | 110.9° | 110.7° |
| C6 | C5 | C4 | 115.9° | 116.9° |
| C5 | C6 | N6 | 124.5° | 120.7° |
| C5 | C6 | N1 | 119.0° | 119.1° |
| C5 | C4 | N3 | 126.4° | 127.2° |
| N6 | C6 | N1 | 116.5° | 120.2° |
| C6 | N6 | H61 | 109.5° | 119.5° |
| C6 | N6 | H62 | 109.5° | 119.4° |
| C6 | N1 | C2 | 118.7° | 117.5° |
| H61 | N6 | H62 | 109.4° | 120.8° |
| N1 | C2 | N3 | 128.9° | 128.8° |
| N1 | C2 | H2 | 115.6° | 115.5° |
| N3 | C2 | H2 | 115.6° | 115.7° |
| C2 | N3 | C4 | 111.2° | 110.5° |
| C2' | C3' | O3' | 115.6° | 108.4° |
| C2' | C3' | H3' | 109.7° | 113.7° |
| C3' | C2' | H2' | 113.5° | 110.0° |
| C3' | C2' | H2'' | 112.0° | 114.2° |
| O3' | C3' | H3' | 106.0° | 107.8° |
| C3' | O3' | HO3' | 109.5° | 106.6° |
| H2' | C2' | H2'' | 104.0° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CMP | P | OP1 | O5' | 124.6° | 121.4° |
| CMP | P | OP1 | OP3 | 171.9° | 118.7° |
| CMP | P | O5' | OP3 | 130.1° | 109.0° |
| P | CMP | HMP1 | HMP2 | 120.0° | 120.7° |
| P | CMP | HMP1 | HMP3 | 120.0° | 120.8° |
| P | CMP | HMP2 | HMP3 | 120.0° | 120.7° |
| CMP | P | O5' | C5' | 158.4° | 60.0° |
| CMP | P | OP3 | HOP3 | 180.0° | 175.5° |
| OP1 | P | O5' | OP3 | 114.5° | 125.2° |
| OP1 | P | CMP | HMP1 | 166.1° | 77.5° |
| OP1 | P | CMP | HMP2 | 46.0° | 162.5° |
| OP1 | P | CMP | HMP3 | 73.9° | 42.6° |
| OP1 | P | O5' | C5' | 43.0° | 174.2° |
| OP1 | P | OP3 | HOP3 | 11.5° | 51.3° |
| O5' | P | CMP | HMP1 | 48.2° | 48.6° |
| O5' | P | CMP | HMP2 | 71.9° | 71.4° |
| O5' | P | CMP | HMP3 | 168.2° | 168.7° |
| P | O5' | C5' | C4' | 178.0° | 180.0° |
| P | O5' | C5' | H5' | 59.2° | 59.9° |
| P | O5' | C5' | H5'' | 62.1° | 59.9° |
| O5' | P | OP3 | HOP3 | 82.0° | 74.1° |
| OP3 | P | CMP | HMP1 | 24.2° | 158.1° |
| OP3 | P | CMP | HMP2 | 144.2° | 38.1° |
| OP3 | P | CMP | HMP3 | 95.9° | 81.9° |
| OP3 | P | O5' | C5' | 71.5° | 49.0° |
| HMP1 | CMP | HMP2 | HMP3 | 120.0° | 118.5° |
| O5' | C5' | C4' | H5' | 118.7° | 119.6° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.5° |
| O5' | C5' | H5' | H5'' | 119.2° | 119.6° |
| O5' | C5' | C4' | O4' | 71.4° | 61.8° |
| O5' | C5' | C4' | C3' | 51.1° | 179.5° |
| O5' | C5' | C4' | H4' | 167.1° | 55.2° |
| C4' | C5' | H5' | H5'' | 119.2° | 121.2° |
| C5' | C4' | O4' | C3' | 128.3° | 121.5° |
| C5' | C4' | O4' | H4' | 114.8° | 118.0° |
| C5' | C4' | C3' | H4' | 114.1° | 123.8° |
| C5' | C4' | O4' | C1' | 149.5° | 116.0° |
| C5' | C4' | C3' | C2' | 117.0° | 92.6° |
| C5' | C4' | C3' | O3' | 122.2° | 152.1° |
| C5' | C4' | C3' | H3' | 3.4° | 31.2° |
| H5' | C5' | C4' | O4' | 47.3° | 57.8° |
| H5' | C5' | C4' | C3' | 169.8° | 60.0° |
| H5' | C5' | C4' | H4' | 74.2° | 174.7° |
| H5'' | C5' | C4' | O4' | 168.6° | 178.7° |
| H5'' | C5' | C4' | C3' | 68.9° | 60.9° |
| H5'' | C5' | C4' | H4' | 47.1° | 64.3° |
| O4' | C4' | C3' | H4' | 121.8° | 117.7° |
| C4' | O4' | C1' | N9 | 158.8° | 141.8° |
| C4' | O4' | C1' | C2' | 40.5° | 17.3° |
| C4' | O4' | C1' | H1' | 82.4° | 103.1° |
| O4' | C4' | C3' | C2' | 7.0° | 25.9° |
| O4' | C4' | C3' | O3' | 113.7° | 89.4° |
| O4' | C4' | C3' | H3' | 127.5° | 149.7° |
| C3' | C4' | O4' | C1' | 21.2° | 5.5° |
| C4' | C3' | C2' | C1' | 30.0° | 34.8° |
| C4' | C3' | C2' | O3' | 113.2° | 116.2° |
| C4' | C3' | C2' | H3' | 127.1° | 123.9° |
| C4' | C3' | O3' | H3' | 127.4° | 124.6° |
| C4' | C3' | C2' | H2' | 92.6° | 82.2° |
| C4' | C3' | C2' | H2'' | 150.0° | 155.2° |
| C4' | C3' | O3' | HO3' | 179.4° | 46.6° |
| H4' | C4' | O4' | C1' | 95.7° | 126.0° |
| H4' | C4' | C3' | C2' | 128.9° | 143.6° |
| H4' | C4' | C3' | O3' | 8.1° | 28.3° |
| H4' | C4' | C3' | H3' | 110.7° | 92.6° |
| O4' | C1' | N9 | C2' | 112.2° | 120.0° |
| O4' | C1' | N9 | H1' | 124.2° | 116.5° |
| O4' | C1' | C2' | H1' | 123.6° | 117.9° |
| O4' | C1' | N9 | C8 | 62.1° | 33.5° |
| O4' | C1' | N9 | C4 | 125.4° | 146.5° |
| O4' | C1' | C2' | C3' | 43.5° | 32.7° |
| O4' | C1' | C2' | H2' | 79.0° | 84.0° |
| O4' | C1' | C2' | H2'' | 163.6° | 154.9° |
| N9 | C1' | C2' | H1' | 118.9° | 120.3° |
| C1' | N9 | C8 | C4 | 173.6° | 179.9° |
| C1' | N9 | C8 | N7 | 173.0° | 180.0° |
| C1' | N9 | C8 | H8 | 7.0° | 0.0° |
| C1' | N9 | C4 | C5 | 174.2° | 180.0° |
| C1' | N9 | C4 | N3 | 5.5° | 0.1° |
| N9 | C1' | C2' | C3' | 161.1° | 154.5° |
| N9 | C1' | C2' | H2' | 38.5° | 37.8° |
| N9 | C1' | C2' | H2'' | 78.9° | 83.3° |
| C2' | C1' | N9 | C8 | 50.1° | 86.6° |
| C2' | C1' | N9 | C4 | 122.4° | 93.5° |
| C1' | C2' | C3' | H2' | 122.6° | 117.0° |
| C1' | C2' | C3' | H2'' | 120.0° | 120.4° |
| C1' | C2' | C3' | O3' | 83.2° | 81.3° |
| C1' | C2' | C3' | H3' | 157.1° | 158.8° |
| C1' | C2' | H2' | H2'' | 121.9° | 122.9° |
| H1' | C1' | N9 | C8 | 173.7° | 150.0° |
| H1' | C1' | N9 | C4 | 1.2° | 29.9° |
| H1' | C1' | C2' | C3' | 80.1° | 85.2° |
| H1' | C1' | C2' | H2' | 157.4° | 158.1° |
| H1' | C1' | C2' | H2'' | 39.9° | 37.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.3° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | N3 | 179.5° | 180.0° |
| C4 | N9 | C8 | N7 | 0.7° | 0.0° |
| C4 | N9 | C8 | H8 | 179.3° | 180.0° |
| N9 | C4 | C5 | N7 | 1.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.6° | 180.0° |
| N9 | C4 | C5 | N3 | 179.8° | 179.9° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | N7 | C5 | C6 | 179.4° | 180.0° |
| C8 | N7 | C5 | C4 | 1.4° | 0.0° |
| H8 | C8 | N7 | C5 | 178.7° | 180.0° |
| N7 | C5 | C6 | C4 | 179.2° | 180.0° |
| N7 | C5 | C6 | N6 | 1.3° | 0.0° |
| N7 | C5 | C6 | N1 | 178.5° | 180.0° |
| N7 | C5 | C4 | N3 | 178.7° | 180.0° |
| C5 | C6 | N6 | N1 | 179.8° | 180.0° |
| C5 | C6 | N6 | H61 | 157.2° | 85.4° |
| C5 | C6 | N6 | H62 | 82.9° | 88.4° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.1° |
| C4 | C5 | C6 | N6 | 179.5° | 180.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.1° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C6 | N6 | H61 | H62 | 120.0° | 173.7° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N1 | C6 | N6 | H61 | 23.1° | 94.6° |
| N1 | C6 | N6 | H62 | 96.9° | 91.6° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| C6 | N1 | C2 | H2 | 179.5° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| H2 | C2 | N3 | C4 | 179.5° | 180.0° |
| C2' | C3' | O3' | H3' | 121.8° | 123.5° |
| C3' | C2' | H2' | H2'' | 121.9° | 125.7° |
| C2' | C3' | O3' | HO3' | 68.5° | 65.3° |
| O3' | C3' | C2' | H2' | 154.2° | 161.6° |
| O3' | C3' | C2' | H2'' | 36.8° | 39.1° |
| H3' | C3' | C2' | H2' | 34.5° | 41.7° |
| H3' | C3' | C2' | H2'' | 82.9° | 80.8° |
| H3' | C3' | O3' | HO3' | 53.3° | 171.2° |
