Obsolete: TDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C2' | doub | 1.32Å | 1.39Å | Aromatic |
| N1' | C6' | sing | 1.33Å | 1.37Å | Aromatic |
| C2' | C2A | sing | 1.51Å | 1.50Å | |
| C2' | N3' | sing | 1.32Å | 1.33Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.12Å | |
| C2A | H2A2 | sing | 1.09Å | 1.12Å | |
| C2A | H2A3 | sing | 1.09Å | 1.11Å | |
| N3' | C4' | doub | 1.33Å | 1.39Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.33Å | |
| C4' | C5' | sing | 1.40Å | 1.44Å | Aromatic |
| N4' | H4'1 | sing | 0.97Å | 1.02Å | |
| N4' | H4'2 | sing | 0.97Å | 1.02Å | |
| C5' | C6' | doub | 1.38Å | 1.36Å | Aromatic |
| C5' | C35 | sing | 1.51Å | 1.52Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C35 | N3 | sing | 1.47Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.40Å | Aromatic |
| C2 | S1 | sing | 1.74Å | 1.66Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| S1 | C5 | sing | 1.79Å | 1.72Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.48Å | |
| C4 | C4A | sing | 1.51Å | 1.48Å | |
| C4A | H4A1 | sing | 1.09Å | 1.12Å | |
| C4A | H4A2 | sing | 1.09Å | 1.11Å | |
| C4A | H4A3 | sing | 1.09Å | 1.12Å | |
| C5A | C5B | sing | 1.53Å | 1.51Å | |
| C5A | H5A1 | sing | 1.09Å | 1.11Å | |
| C5A | H5A2 | sing | 1.09Å | 1.11Å | |
| C5B | O5G | sing | 1.43Å | 1.39Å | |
| C5B | H5B1 | sing | 1.09Å | 1.12Å | |
| C5B | H5B2 | sing | 1.09Å | 1.11Å | |
| O5G | P1 | sing | 1.61Å | 1.59Å | |
| P1 | O11 | sing | 1.61Å | 1.55Å | |
| P1 | O12 | doub | 1.61Å | 1.45Å | |
| P1 | O13 | sing | 1.48Å | 1.48Å | |
| O11 | P2 | sing | 1.61Å | 1.61Å | |
| O13 | H13 | sing | 3.78Å | 0.95Å | |
| P2 | O21 | doub | 1.61Å | 1.53Å | |
| P2 | O22 | sing | 1.54Å | 1.46Å | |
| P2 | O23 | sing | 1.54Å | 1.51Å | |
| O23 | H23 | sing | 6.45Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | N1' | C6' | 118.7° | 121.0° |
| N1' | C2' | C2A | 121.3° | 119.1° |
| N1' | C2' | N3' | 121.2° | 121.8° |
| N1' | C6' | C5' | 123.7° | 119.2° |
| N1' | C6' | H6' | 118.7° | 120.4° |
| C2A | C2' | N3' | 117.5° | 119.1° |
| C2' | C2A | H2A1 | 121.4° | 109.5° |
| C2' | C2A | H2A2 | 108.0° | 109.5° |
| C2' | C2A | H2A3 | 108.0° | 109.5° |
| C2' | N3' | C4' | 120.3° | 120.7° |
| H2A1 | C2A | H2A2 | 107.9° | 109.5° |
| H2A1 | C2A | H2A3 | 108.0° | 109.4° |
| H2A2 | C2A | H2A3 | 101.9° | 109.5° |
| N3' | C4' | N4' | 115.7° | 120.5° |
| N3' | C4' | C5' | 120.6° | 118.9° |
| N4' | C4' | C5' | 123.7° | 120.6° |
| C4' | N4' | H4'1 | 115.7° | 119.9° |
| C4' | N4' | H4'2 | 109.9° | 120.0° |
| C4' | C5' | C6' | 115.5° | 118.3° |
| C4' | C5' | C35 | 122.4° | 120.8° |
| H4'1 | N4' | H4'2 | 110.0° | 120.0° |
| C6' | C5' | C35 | 122.0° | 120.8° |
| C5' | C6' | H6' | 117.7° | 120.4° |
| C5' | C35 | N3 | 109.8° | 109.5° |
| C5' | C35 | H351 | 112.1° | 109.5° |
| C5' | C35 | H352 | 112.1° | 109.5° |
| N3 | C35 | H351 | 112.1° | 109.4° |
| N3 | C35 | H352 | 112.1° | 109.5° |
| C35 | N3 | C2 | 118.7° | 119.2° |
| C35 | N3 | C4 | 129.9° | 119.3° |
| H351 | C35 | H352 | 98.4° | 109.5° |
| C2 | N3 | C4 | 111.4° | 121.5° |
| N3 | C2 | S1 | 115.6° | 102.2° |
| N3 | C2 | H2 | 112.0° | 128.9° |
| N3 | C4 | C5 | 111.9° | 118.4° |
| N3 | C4 | C4A | 124.1° | 120.8° |
| S1 | C2 | H2 | 132.4° | 128.9° |
| C2 | S1 | C5 | 90.4° | 97.4° |
| S1 | C5 | C4 | 110.8° | 100.6° |
| S1 | C5 | C5A | 118.5° | 129.7° |
| C4 | C5 | C5A | 130.7° | 129.7° |
| C5 | C4 | C4A | 124.1° | 120.8° |
| C5 | C5A | C5B | 114.3° | 109.5° |
| C5 | C5A | H5A1 | 110.5° | 109.5° |
| C5 | C5A | H5A2 | 110.4° | 109.5° |
| C4 | C4A | H4A1 | 124.1° | 109.4° |
| C4 | C4A | H4A2 | 107.1° | 109.4° |
| C4 | C4A | H4A3 | 107.1° | 109.5° |
| H4A1 | C4A | H4A2 | 107.0° | 109.5° |
| H4A1 | C4A | H4A3 | 107.0° | 109.5° |
| H4A2 | C4A | H4A3 | 102.6° | 109.6° |
| C5B | C5A | H5A1 | 110.4° | 109.4° |
| C5B | C5A | H5A2 | 110.4° | 109.5° |
| C5A | C5B | O5G | 111.3° | 109.5° |
| C5A | C5B | H5B1 | 111.6° | 109.4° |
| C5A | C5B | H5B2 | 111.6° | 109.5° |
| H5A1 | C5A | H5A2 | 99.9° | 109.4° |
| O5G | C5B | H5B1 | 111.5° | 109.5° |
| O5G | C5B | H5B2 | 111.5° | 109.5° |
| C5B | O5G | P1 | 134.8° | 106.8° |
| H5B1 | C5B | H5B2 | 98.8° | 109.4° |
| O5G | P1 | O11 | 100.3° | 109.5° |
| O5G | P1 | O12 | 111.1° | 109.4° |
| O5G | P1 | O13 | 106.4° | 109.5° |
| O11 | P1 | O12 | 111.5° | 109.5° |
| O11 | P1 | O13 | 106.6° | 109.5° |
| P1 | O11 | P2 | 133.7° | 106.8° |
| O12 | P1 | O13 | 119.1° | 109.4° |
| P1 | O13 | H13 | 106.5° | 82.5° |
| O11 | P2 | O21 | 105.5° | 109.4° |
| O11 | P2 | O22 | 106.7° | 109.4° |
| O11 | P2 | O23 | 101.8° | 109.5° |
| O21 | P2 | O22 | 123.2° | 109.5° |
| O21 | P2 | O23 | 107.6° | 109.5° |
| O22 | P2 | O23 | 109.9° | 109.5° |
| P2 | O23 | H23 | 101.8° | 78.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2' | C2A | N3' | 179.9° | 179.6° |
| N1' | C2' | C2A | H2A1 | 180.0° | 90.0° |
| N1' | C2' | C2A | H2A2 | 54.8° | 149.9° |
| N1' | C2' | C2A | H2A3 | 54.7° | 30.0° |
| N1' | C2' | N3' | C4' | 0.1° | 0.6° |
| C2' | N1' | C6' | C5' | 0.0° | 0.1° |
| C2' | N1' | C6' | H6' | 179.9° | 180.0° |
| C6' | N1' | C2' | C2A | 179.8° | 180.0° |
| C6' | N1' | C2' | N3' | 0.1° | 0.4° |
| N1' | C6' | C5' | C4' | 0.1° | 0.1° |
| N1' | C6' | C5' | H6' | 180.0° | 179.9° |
| N1' | C6' | C5' | C35 | 179.7° | 179.9° |
| C2' | C2A | H2A1 | H2A2 | 125.2° | 120.0° |
| C2' | C2A | H2A1 | H2A3 | 125.3° | 120.0° |
| C2' | C2A | H2A2 | H2A3 | 113.6° | 120.0° |
| C2A | C2' | N3' | C4' | 179.9° | 179.7° |
| N3' | C2' | C2A | H2A1 | 0.1° | 90.4° |
| N3' | C2' | C2A | H2A2 | 125.3° | 29.7° |
| N3' | C2' | C2A | H2A3 | 125.2° | 149.7° |
| C2' | N3' | C4' | N4' | 179.9° | 179.7° |
| C2' | N3' | C4' | C5' | 0.1° | 0.6° |
| H2A1 | C2A | H2A2 | H2A3 | 113.5° | 120.0° |
| N3' | C4' | N4' | C5' | 180.0° | 179.7° |
| N3' | C4' | N4' | H4'1 | 180.0° | 179.7° |
| N3' | C4' | N4' | H4'2 | 54.7° | 0.3° |
| N3' | C4' | C5' | C6' | 0.1° | 0.3° |
| N3' | C4' | C5' | C35 | 179.8° | 179.7° |
| C4' | N4' | H4'1 | H4'2 | 125.3° | 180.0° |
| N4' | C4' | C5' | C6' | 179.9° | 180.0° |
| N4' | C4' | C5' | C35 | 0.2° | 0.0° |
| C5' | C4' | N4' | H4'1 | 0.0° | 0.0° |
| C5' | C4' | N4' | H4'2 | 125.3° | 180.0° |
| C4' | C5' | C6' | C35 | 179.7° | 180.0° |
| C4' | C5' | C6' | H6' | 179.9° | 180.0° |
| C4' | C5' | C35 | N3 | 70.9° | 85.1° |
| C4' | C5' | C35 | H351 | 54.4° | 155.0° |
| C4' | C5' | C35 | H352 | 163.9° | 34.9° |
| C6' | C5' | C35 | N3 | 108.8° | 95.0° |
| C6' | C5' | C35 | H351 | 126.0° | 25.0° |
| C6' | C5' | C35 | H352 | 16.5° | 145.0° |
| C35 | C5' | C6' | H6' | 0.3° | 0.0° |
| C5' | C35 | N3 | H351 | 125.2° | 119.9° |
| C5' | C35 | N3 | H352 | 125.2° | 120.0° |
| C5' | C35 | H351 | H352 | 118.0° | 120.1° |
| C5' | C35 | N3 | C2 | 97.8° | 94.0° |
| C5' | C35 | N3 | C4 | 81.4° | 85.7° |
| N3 | C35 | H351 | H352 | 118.0° | 120.0° |
| C35 | N3 | C2 | C4 | 179.4° | 179.7° |
| C35 | N3 | C2 | S1 | 179.2° | 180.0° |
| C35 | N3 | C2 | H2 | 0.7° | 0.1° |
| C35 | N3 | C4 | C5 | 179.1° | 179.7° |
| C35 | N3 | C4 | C4A | 0.6° | 0.2° |
| H351 | C35 | N3 | C2 | 27.4° | 146.1° |
| H351 | C35 | N3 | C4 | 153.3° | 34.2° |
| H352 | C35 | N3 | C2 | 136.9° | 26.0° |
| H352 | C35 | N3 | C4 | 43.8° | 154.3° |
| N3 | C2 | S1 | H2 | 179.9° | 179.9° |
| N3 | C2 | S1 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.6° |
| C2 | N3 | C4 | C4A | 179.9° | 179.9° |
| C4 | N3 | C2 | S1 | 0.2° | 0.3° |
| C4 | N3 | C2 | H2 | 179.9° | 179.8° |
| N3 | C4 | C5 | S1 | 0.2° | 0.4° |
| N3 | C4 | C5 | C4A | 179.6° | 179.5° |
| N3 | C4 | C5 | C5A | 179.3° | 179.8° |
| N3 | C4 | C4A | H4A1 | 180.0° | 84.9° |
| N3 | C4 | C4A | H4A2 | 54.7° | 35.0° |
| N3 | C4 | C4A | H4A3 | 54.8° | 155.1° |
| C2 | S1 | C5 | C4 | 0.1° | 0.2° |
| C2 | S1 | C5 | C5A | 179.5° | 180.0° |
| H2 | C2 | S1 | C5 | 180.0° | 179.9° |
| S1 | C5 | C4 | C5A | 179.5° | 179.8° |
| S1 | C5 | C4 | C4A | 179.8° | 180.0° |
| S1 | C5 | C5A | C5B | 84.4° | 90.0° |
| S1 | C5 | C5A | H5A1 | 40.9° | 30.0° |
| S1 | C5 | C5A | H5A2 | 150.4° | 150.0° |
| C5 | C4 | C4A | H4A1 | 0.4° | 95.6° |
| C5 | C4 | C4A | H4A2 | 125.7° | 144.5° |
| C5 | C4 | C4A | H4A3 | 124.8° | 24.4° |
| C4 | C5 | C5A | C5B | 95.1° | 90.3° |
| C4 | C5 | C5A | H5A1 | 139.7° | 149.7° |
| C4 | C5 | C5A | H5A2 | 30.1° | 29.8° |
| C5A | C5 | C4 | C4A | 0.3° | 0.2° |
| C5 | C5A | C5B | H5A1 | 125.3° | 120.0° |
| C5 | C5A | C5B | H5A2 | 125.2° | 120.1° |
| C5 | C5A | H5A1 | H5A2 | 116.3° | 120.0° |
| C5 | C5A | C5B | O5G | 162.7° | 180.0° |
| C5 | C5A | C5B | H5B1 | 72.0° | 60.0° |
| C5 | C5A | C5B | H5B2 | 37.5° | 59.9° |
| C4 | C4A | H4A1 | H4A2 | 125.3° | 119.9° |
| C4 | C4A | H4A1 | H4A3 | 125.2° | 120.0° |
| C4 | C4A | H4A2 | H4A3 | 112.6° | 120.0° |
| H4A1 | C4A | H4A2 | H4A3 | 112.5° | 120.1° |
| C5B | C5A | H5A1 | H5A2 | 116.2° | 120.0° |
| C5A | C5B | O5G | H5B1 | 125.3° | 120.0° |
| C5A | C5B | O5G | H5B2 | 125.3° | 120.1° |
| C5A | C5B | H5B1 | H5B2 | 117.5° | 120.0° |
| C5A | C5B | O5G | P1 | 162.5° | 180.0° |
| H5A1 | C5A | C5B | O5G | 37.5° | 60.0° |
| H5A1 | C5A | C5B | H5B1 | 162.7° | 180.0° |
| H5A1 | C5A | C5B | H5B2 | 87.8° | 60.1° |
| H5A2 | C5A | C5B | O5G | 72.0° | 59.9° |
| H5A2 | C5A | C5B | H5B1 | 53.2° | 60.1° |
| H5A2 | C5A | C5B | H5B2 | 162.7° | 180.0° |
| O5G | C5B | H5B1 | H5B2 | 117.4° | 120.0° |
| C5B | O5G | P1 | O11 | 89.7° | 175.0° |
| C5B | O5G | P1 | O12 | 152.3° | 65.0° |
| C5B | O5G | P1 | O13 | 21.2° | 55.0° |
| H5B1 | C5B | O5G | P1 | 72.2° | 60.0° |
| H5B2 | C5B | O5G | P1 | 37.2° | 60.0° |
| O5G | P1 | O11 | O12 | 117.7° | 120.0° |
| O5G | P1 | O11 | O13 | 110.8° | 120.0° |
| O5G | P1 | O12 | O13 | 124.2° | 120.0° |
| O5G | P1 | O11 | P2 | 66.9° | 165.0° |
| O5G | P1 | O13 | H13 | 180.0° | 23.4° |
| O11 | P1 | O12 | O13 | 124.8° | 120.0° |
| O11 | P1 | O13 | H13 | 73.6° | 143.4° |
| P1 | O11 | P2 | O21 | 151.1° | 165.0° |
| P1 | O11 | P2 | O22 | 76.4° | 75.0° |
| P1 | O11 | P2 | O23 | 38.8° | 45.0° |
| O12 | P1 | O11 | P2 | 50.8° | 75.0° |
| O12 | P1 | O13 | H13 | 53.5° | 96.6° |
| O13 | P1 | O11 | P2 | 177.7° | 45.0° |
| O11 | P2 | O21 | O22 | 122.5° | 119.9° |
| O11 | P2 | O21 | O23 | 108.1° | 120.0° |
| O11 | P2 | O22 | O23 | 109.6° | 120.0° |
| O11 | P2 | O23 | H23 | 180.0° | 39.1° |
| O21 | P2 | O22 | O23 | 128.5° | 120.1° |
| O21 | P2 | O23 | H23 | 69.3° | 159.1° |
| O22 | P2 | O23 | H23 | 67.3° | 80.9° |
