MTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C10 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | N2 | sing | 1.37Å | 1.36Å | |
| C2 | N3 | sing | 1.36Å | 1.33Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.32Å | |
| C4 | C9 | sing | 1.40Å | 1.47Å | Aromatic |
| N5 | C6 | sing | 1.47Å | 1.58Å | |
| N5 | C9 | sing | 1.41Å | 1.50Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.53Å | 1.65Å | |
| C6 | C1' | sing | 1.51Å | 1.40Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | N8 | sing | 1.47Å | 1.43Å | |
| C7 | O3' | sing | 1.43Å | 1.42Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| N8 | C10 | sing | 1.38Å | 1.37Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | doub | 1.39Å | 1.61Å | Aromatic |
| C1' | S1' | sing | 1.76Å | 1.65Å | |
| C1' | C2' | doub | 1.34Å | 1.46Å | |
| S1' | H1S | sing | 1.34Å | 0.95Å | |
| C2' | S2' | sing | 1.76Å | 1.76Å | |
| C2' | C3' | sing | 1.50Å | 1.59Å | |
| S2' | H2S | sing | 1.34Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C4' | sing | 1.53Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.43Å | 1.45Å | |
| C4' | H4'1 | sing | 1.09Å | 1.11Å | |
| C4' | H4'2 | sing | 1.09Å | 1.11Å | |
| O4' | P | sing | 1.61Å | 1.40Å | |
| P | O1P | doub | 1.48Å | 1.52Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.36Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 126.9° | 121.0° |
| N1 | C2 | N2 | 119.5° | 119.2° |
| N1 | C2 | N3 | 118.4° | 121.6° |
| N1 | C10 | N8 | 126.7° | 120.8° |
| N1 | C10 | C9 | 114.6° | 119.6° |
| N2 | C2 | N3 | 122.1° | 119.2° |
| C2 | N2 | HN21 | 119.5° | 120.0° |
| C2 | N2 | HN22 | 108.6° | 120.1° |
| C2 | N3 | C4 | 126.0° | 120.2° |
| C2 | N3 | HN3 | 115.4° | 119.9° |
| HN21 | N2 | HN22 | 108.5° | 120.0° |
| C4 | N3 | HN3 | 118.5° | 119.9° |
| N3 | C4 | O4 | 125.6° | 120.7° |
| N3 | C4 | C9 | 119.4° | 118.5° |
| O4 | C4 | C9 | 115.0° | 120.8° |
| C4 | C9 | N5 | 127.4° | 121.0° |
| C4 | C9 | C10 | 114.7° | 119.1° |
| C6 | N5 | C9 | 113.2° | 119.1° |
| C6 | N5 | HN5 | 110.8° | 120.5° |
| N5 | C6 | C7 | 109.0° | 107.9° |
| N5 | C6 | C1' | 114.9° | 109.0° |
| N5 | C6 | H6 | 106.9° | 110.3° |
| C9 | N5 | HN5 | 110.9° | 120.5° |
| N5 | C9 | C10 | 117.8° | 119.9° |
| C7 | C6 | C1' | 111.8° | 108.9° |
| C7 | C6 | H6 | 110.3° | 110.3° |
| C6 | C7 | N8 | 114.7° | 108.6° |
| C6 | C7 | O3' | 105.8° | 107.8° |
| C6 | C7 | H7 | 106.6° | 110.4° |
| C1' | C6 | H6 | 103.7° | 110.4° |
| C6 | C1' | S1' | 115.0° | 120.9° |
| C6 | C1' | C2' | 117.5° | 119.4° |
| N8 | C7 | O3' | 102.8° | 109.2° |
| N8 | C7 | H7 | 109.4° | 110.3° |
| C7 | N8 | C10 | 125.7° | 119.5° |
| C7 | N8 | HN8 | 106.5° | 120.2° |
| O3' | C7 | H7 | 117.8° | 110.4° |
| C7 | O3' | C3' | 113.3° | 106.8° |
| C10 | N8 | HN8 | 106.5° | 120.2° |
| N8 | C10 | C9 | 118.7° | 119.6° |
| S1' | C1' | C2' | 127.6° | 119.7° |
| C1' | S1' | H1S | 114.9° | 100.1° |
| C1' | C2' | S2' | 113.9° | 118.6° |
| C1' | C2' | C3' | 123.1° | 122.2° |
| S2' | C2' | C3' | 123.0° | 119.1° |
| C2' | S2' | H2S | 113.9° | 100.0° |
| C2' | C3' | O3' | 110.3° | 111.8° |
| C2' | C3' | C4' | 108.9° | 108.8° |
| C2' | C3' | H3' | 109.9° | 109.0° |
| O3' | C3' | C4' | 111.1° | 109.1° |
| O3' | C3' | H3' | 107.6° | 109.0° |
| C4' | C3' | H3' | 109.0° | 109.0° |
| C3' | C4' | O4' | 111.0° | 109.4° |
| C3' | C4' | H4'1 | 111.7° | 109.5° |
| C3' | C4' | H4'2 | 111.6° | 109.4° |
| O4' | C4' | H4'1 | 111.6° | 109.4° |
| O4' | C4' | H4'2 | 111.6° | 109.5° |
| C4' | O4' | P | 120.9° | 106.8° |
| H4'1 | C4' | H4'2 | 98.8° | 109.5° |
| O4' | P | O1P | 110.9° | 109.5° |
| O4' | P | O2P | 109.5° | 109.5° |
| O4' | P | O3P | 112.7° | 109.5° |
| O1P | P | O2P | 113.0° | 109.5° |
| O1P | P | O3P | 103.7° | 109.4° |
| O2P | P | O3P | 106.9° | 109.5° |
| P | O2P | HOP2 | 109.5° | 106.9° |
| P | O3P | HOP3 | 112.7° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 178.2° | 179.7° |
| N1 | C2 | N2 | HN21 | 180.0° | 0.0° |
| N1 | C2 | N2 | HN22 | 54.8° | 179.8° |
| N1 | C2 | N3 | C4 | 0.1° | 0.7° |
| N1 | C2 | N3 | HN3 | 179.8° | 179.8° |
| C2 | N1 | C10 | N8 | 179.7° | 179.7° |
| C2 | N1 | C10 | C9 | 1.1° | 0.2° |
| C10 | N1 | C2 | N2 | 179.1° | 180.0° |
| C10 | N1 | C2 | N3 | 0.8° | 0.3° |
| N1 | C10 | C9 | C4 | 0.6° | 0.3° |
| N1 | C10 | C9 | N5 | 179.6° | 179.6° |
| N1 | C10 | N8 | C7 | 174.8° | 162.7° |
| N1 | C10 | N8 | C9 | 178.5° | 179.9° |
| N1 | C10 | N8 | HN8 | 59.9° | 17.2° |
| C2 | N2 | HN21 | HN22 | 125.2° | 179.8° |
| N2 | C2 | N3 | C4 | 178.1° | 179.6° |
| N2 | C2 | N3 | HN3 | 2.0° | 0.2° |
| N3 | C2 | N2 | HN21 | 1.9° | 179.7° |
| N3 | C2 | N2 | HN22 | 127.1° | 0.6° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.4° |
| C2 | N3 | C4 | O4 | 178.9° | 179.6° |
| C2 | N3 | C4 | C9 | 0.5° | 0.6° |
| N3 | C4 | O4 | C9 | 178.5° | 179.8° |
| N3 | C4 | C9 | N5 | 178.8° | 180.0° |
| N3 | C4 | C9 | C10 | 0.1° | 0.1° |
| HN3 | N3 | C4 | O4 | 1.1° | 0.1° |
| HN3 | N3 | C4 | C9 | 179.4° | 180.0° |
| O4 | C4 | C9 | N5 | 0.2° | 0.2° |
| O4 | C4 | C9 | C10 | 178.7° | 179.9° |
| C4 | C9 | N5 | C6 | 150.6° | 164.3° |
| C4 | C9 | N5 | C10 | 178.8° | 179.9° |
| C4 | C9 | N5 | HN5 | 25.4° | 15.7° |
| C4 | C9 | C10 | N8 | 179.3° | 179.6° |
| C6 | N5 | C9 | HN5 | 125.3° | 179.9° |
| N5 | C6 | C7 | C1' | 128.1° | 118.1° |
| N5 | C6 | C7 | H6 | 117.1° | 120.6° |
| N5 | C6 | C1' | H6 | 116.3° | 121.2° |
| N5 | C6 | C7 | N8 | 46.0° | 55.5° |
| N5 | C6 | C7 | O3' | 66.6° | 62.8° |
| N5 | C6 | C7 | H7 | 167.2° | 176.6° |
| C6 | N5 | C9 | C10 | 30.6° | 15.8° |
| N5 | C6 | C1' | S1' | 82.5° | 80.7° |
| N5 | C6 | C1' | C2' | 98.7° | 99.0° |
| C9 | N5 | C6 | C7 | 50.5° | 43.4° |
| C9 | N5 | C6 | C1' | 176.9° | 161.6° |
| C9 | N5 | C6 | H6 | 68.7° | 77.1° |
| N5 | C9 | C10 | N8 | 1.7° | 0.5° |
| HN5 | N5 | C6 | C7 | 175.8° | 136.6° |
| HN5 | N5 | C6 | C1' | 57.9° | 18.5° |
| HN5 | N5 | C6 | H6 | 56.6° | 102.8° |
| HN5 | N5 | C9 | C10 | 155.8° | 164.2° |
| C7 | C6 | C1' | H6 | 118.8° | 121.3° |
| C6 | C7 | N8 | O3' | 114.3° | 117.4° |
| C6 | C7 | N8 | H7 | 119.7° | 121.1° |
| C6 | C7 | O3' | H7 | 119.0° | 120.7° |
| C6 | C7 | N8 | C10 | 19.5° | 45.5° |
| C6 | C7 | N8 | HN8 | 144.8° | 134.5° |
| C7 | C6 | C1' | S1' | 152.7° | 161.8° |
| C7 | C6 | C1' | C2' | 26.1° | 18.4° |
| C6 | C7 | O3' | C3' | 69.4° | 75.2° |
| C1' | C6 | C7 | N8 | 174.0° | 173.6° |
| C1' | C6 | C7 | O3' | 61.5° | 55.4° |
| C1' | C6 | C7 | H7 | 64.7° | 65.3° |
| C6 | C1' | S1' | C2' | 178.7° | 179.7° |
| C6 | C1' | S1' | H1S | 180.0° | 55.3° |
| C6 | C1' | C2' | S2' | 177.2° | 179.8° |
| C6 | C1' | C2' | C3' | 1.1° | 0.4° |
| H6 | C6 | C7 | N8 | 71.1° | 65.1° |
| H6 | C6 | C7 | O3' | 176.3° | 176.7° |
| H6 | C6 | C7 | H7 | 50.2° | 56.0° |
| H6 | C6 | C1' | S1' | 33.9° | 40.6° |
| H6 | C6 | C1' | C2' | 145.0° | 139.7° |
| N8 | C7 | O3' | H7 | 120.3° | 121.5° |
| C7 | N8 | C10 | HN8 | 125.3° | 179.9° |
| C7 | N8 | C10 | C9 | 3.7° | 17.4° |
| N8 | C7 | O3' | C3' | 169.9° | 167.0° |
| O3' | C7 | N8 | C10 | 94.8° | 71.8° |
| O3' | C7 | N8 | HN8 | 30.5° | 108.1° |
| C7 | O3' | C3' | C2' | 41.8° | 54.6° |
| C7 | O3' | C3' | C4' | 162.7° | 175.0° |
| C7 | O3' | C3' | H3' | 78.0° | 66.0° |
| H7 | C7 | N8 | C10 | 139.2° | 166.7° |
| H7 | C7 | N8 | HN8 | 95.5° | 13.4° |
| H7 | C7 | O3' | C3' | 49.6° | 45.5° |
| HN8 | N8 | C10 | C9 | 121.6° | 162.6° |
| S1' | C1' | C2' | S2' | 1.4° | 0.1° |
| S1' | C1' | C2' | C3' | 179.7° | 179.9° |
| C2' | C1' | S1' | H1S | 1.3° | 125.0° |
| C1' | C2' | S2' | C3' | 178.3° | 179.8° |
| C1' | C2' | S2' | H2S | 180.0° | 5.1° |
| C1' | C2' | C3' | O3' | 3.8° | 18.0° |
| C1' | C2' | C3' | C4' | 126.0° | 138.5° |
| C1' | C2' | C3' | H3' | 114.7° | 102.6° |
| S2' | C2' | C3' | O3' | 178.1° | 162.3° |
| S2' | C2' | C3' | C4' | 55.9° | 41.7° |
| S2' | C2' | C3' | H3' | 63.4° | 77.1° |
| C3' | C2' | S2' | H2S | 1.7° | 174.7° |
| C2' | C3' | O3' | C4' | 120.8° | 120.4° |
| C2' | C3' | O3' | H3' | 119.9° | 120.6° |
| C2' | C3' | C4' | H3' | 119.9° | 118.8° |
| C2' | C3' | C4' | O4' | 179.9° | 177.7° |
| C2' | C3' | C4' | H4'1 | 54.6° | 57.8° |
| C2' | C3' | C4' | H4'2 | 54.9° | 62.2° |
| O3' | C3' | C4' | H3' | 118.4° | 118.9° |
| O3' | C3' | C4' | O4' | 58.5° | 60.0° |
| O3' | C3' | C4' | H4'1 | 176.3° | 180.0° |
| O3' | C3' | C4' | H4'2 | 66.8° | 60.0° |
| C3' | C4' | O4' | H4'1 | 125.3° | 120.0° |
| C3' | C4' | O4' | H4'2 | 125.3° | 120.0° |
| C3' | C4' | H4'1 | H4'2 | 117.6° | 120.0° |
| C3' | C4' | O4' | P | 173.1° | 180.0° |
| H3' | C3' | C4' | O4' | 60.0° | 58.9° |
| H3' | C3' | C4' | H4'1 | 65.3° | 61.0° |
| H3' | C3' | C4' | H4'2 | 174.8° | 178.9° |
| O4' | C4' | H4'1 | H4'2 | 117.5° | 120.0° |
| C4' | O4' | P | O1P | 61.8° | 59.9° |
| C4' | O4' | P | O2P | 172.9° | 179.9° |
| C4' | O4' | P | O3P | 54.0° | 60.0° |
| H4'1 | C4' | O4' | P | 61.7° | 60.0° |
| H4'2 | C4' | O4' | P | 47.8° | 60.0° |
| O4' | P | O1P | O2P | 123.4° | 120.1° |
| O4' | P | O1P | O3P | 121.3° | 119.9° |
| O4' | P | O2P | O3P | 122.4° | 120.0° |
| O4' | P | O2P | HOP2 | 180.0° | 179.9° |
| O4' | P | O3P | HOP3 | 180.0° | 60.0° |
| O1P | P | O2P | O3P | 113.5° | 119.9° |
| O1P | P | O2P | HOP2 | 55.9° | 60.0° |
| O1P | P | O3P | HOP3 | 60.0° | 179.9° |
| O2P | P | O3P | HOP3 | 59.6° | 60.1° |
| O3P | P | O2P | HOP2 | 57.6° | 59.9° |
