2TP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C2' | doub | 1.35Å | 1.38Å | Aromatic |
| N1' | C6' | sing | 1.35Å | 1.43Å | Aromatic |
| C2' | C2A | sing | 1.49Å | 1.59Å | |
| C2' | N3' | sing | 1.35Å | 1.40Å | Aromatic |
| C2A | H2A1 | sing | 1.10Å | 1.10Å | |
| C2A | H2A2 | sing | 1.10Å | 1.10Å | |
| C2A | H2A3 | sing | 1.10Å | 1.10Å | |
| N3' | C4' | doub | 1.35Å | 1.38Å | Aromatic |
| C4' | N4' | sing | 1.42Å | 1.43Å | |
| C4' | C5' | sing | 1.37Å | 1.48Å | Aromatic |
| N4' | O4' | sing | 1.37Å | 1.59Å | |
| N4' | H4' | sing | 1.00Å | 1.00Å | |
| C5' | C6' | doub | 1.37Å | 1.49Å | Aromatic |
| C5' | C35 | sing | 1.50Å | 1.48Å | |
| C6' | H6' | sing | 1.09Å | 1.08Å | |
| C35 | N3 | sing | 1.44Å | 1.46Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| N3 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
| N3 | C4 | sing | 1.38Å | 1.51Å | Aromatic |
| C2 | S1 | sing | 1.71Å | 1.69Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| S1 | C5 | sing | 1.71Å | 1.81Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | C5A | sing | 1.50Å | 1.58Å | |
| C4 | C4A | sing | 1.47Å | 1.54Å | |
| C4A | H4A1 | sing | 1.10Å | 1.10Å | |
| C4A | H4A2 | sing | 1.11Å | 1.10Å | |
| C4A | H4A3 | sing | 1.11Å | 1.10Å | |
| C5A | C5B | sing | 1.53Å | 1.53Å | |
| C5A | H5A1 | sing | 1.10Å | 1.10Å | |
| C5A | H5A2 | sing | 1.10Å | 1.10Å | |
| C5B | O5G | sing | 1.42Å | 1.42Å | |
| C5B | H5B1 | sing | 1.10Å | 1.10Å | |
| C5B | H5B2 | sing | 1.09Å | 1.10Å | |
| O5G | P1 | sing | 1.62Å | 1.59Å | |
| P1 | O11 | sing | 1.62Å | 1.51Å | |
| P1 | O12 | sing | 1.62Å | 1.60Å | |
| P1 | O13 | doub | 1.50Å | 1.52Å | |
| O11 | P2 | sing | 1.62Å | 1.71Å | |
| P2 | O21 | sing | 1.62Å | 1.59Å | |
| P2 | O22 | doub | 1.50Å | 1.45Å | |
| P2 | O23 | sing | 1.62Å | 1.48Å | |
| O4' | H4 | sing | 0.97Å | 0.95Å | |
| HO1 | O21 | sing | 0.98Å | 0.95Å | |
| HO2 | O12 | sing | 0.98Å | 0.95Å | |
| HO3 | O23 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | N1' | C6' | 120.9° | 115.0° |
| N1' | C2' | C2A | 119.7° | 116.5° |
| N1' | C2' | N3' | 119.2° | 127.0° |
| N1' | C6' | C5' | 122.4° | 123.1° |
| N1' | C6' | H6' | 118.8° | 114.8° |
| C2A | C2' | N3' | 121.2° | 116.5° |
| C2' | C2A | H2A1 | 109.5° | 110.4° |
| C2' | C2A | H2A2 | 109.4° | 111.3° |
| C2' | C2A | H2A3 | 109.5° | 111.3° |
| C2' | N3' | C4' | 123.2° | 114.9° |
| H2A1 | C2A | H2A2 | 109.5° | 108.4° |
| H2A1 | C2A | H2A3 | 109.5° | 108.5° |
| H2A2 | C2A | H2A3 | 109.5° | 106.8° |
| N3' | C4' | N4' | 116.6° | 118.0° |
| N3' | C4' | C5' | 121.6° | 123.1° |
| N4' | C4' | C5' | 121.7° | 118.9° |
| C4' | N4' | O4' | 126.0° | 122.3° |
| C4' | N4' | H4' | 104.3° | 119.5° |
| C4' | C5' | C6' | 112.7° | 116.9° |
| C4' | C5' | C35 | 125.4° | 122.9° |
| O4' | N4' | H4' | 104.3° | 118.2° |
| N4' | O4' | H4 | 109.5° | 101.5° |
| C6' | C5' | C35 | 121.9° | 120.1° |
| C5' | C6' | H6' | 118.8° | 122.2° |
| C5' | C35 | N3 | 117.7° | 109.7° |
| C5' | C35 | H351 | 104.9° | 110.9° |
| C5' | C35 | H352 | 106.8° | 110.9° |
| N3 | C35 | H351 | 104.9° | 109.4° |
| N3 | C35 | H352 | 106.8° | 109.4° |
| C35 | N3 | C2 | 122.3° | 121.4° |
| C35 | N3 | C4 | 122.4° | 123.5° |
| H351 | C35 | H352 | 116.1° | 106.4° |
| C2 | N3 | C4 | 115.2° | 115.1° |
| N3 | C2 | S1 | 112.5° | 111.2° |
| N3 | C2 | H2 | 123.7° | 124.2° |
| N3 | C4 | C5 | 106.9° | 111.5° |
| N3 | C4 | C4A | 125.8° | 118.3° |
| S1 | C2 | H2 | 123.7° | 124.6° |
| C2 | S1 | C5 | 91.4° | 90.7° |
| S1 | C5 | C4 | 113.9° | 111.5° |
| S1 | C5 | C5A | 116.7° | 119.4° |
| C4 | C5 | C5A | 129.4° | 129.2° |
| C5 | C4 | C4A | 127.2° | 130.2° |
| C5 | C5A | C5B | 114.2° | 112.8° |
| C5 | C5A | H5A1 | 106.8° | 109.6° |
| C5 | C5A | H5A2 | 107.9° | 109.1° |
| C4 | C4A | H4A1 | 109.5° | 111.4° |
| C4 | C4A | H4A2 | 109.5° | 112.4° |
| C4 | C4A | H4A3 | 109.5° | 112.3° |
| H4A1 | C4A | H4A2 | 109.5° | 107.4° |
| H4A1 | C4A | H4A3 | 109.5° | 107.3° |
| H4A2 | C4A | H4A3 | 109.5° | 105.7° |
| C5B | C5A | H5A1 | 106.8° | 109.6° |
| C5B | C5A | H5A2 | 107.9° | 109.0° |
| C5A | C5B | O5G | 109.3° | 109.7° |
| C5A | C5B | H5B1 | 109.6° | 109.8° |
| C5A | C5B | H5B2 | 109.5° | 111.9° |
| H5A1 | C5A | H5A2 | 113.3° | 106.6° |
| O5G | C5B | H5B1 | 109.5° | 107.8° |
| O5G | C5B | H5B2 | 109.5° | 108.8° |
| C5B | O5G | P1 | 118.8° | 120.0° |
| H5B1 | C5B | H5B2 | 109.3° | 108.8° |
| O5G | P1 | O11 | 111.2° | 102.9° |
| O5G | P1 | O12 | 105.2° | 104.7° |
| O5G | P1 | O13 | 105.1° | 115.1° |
| O11 | P1 | O12 | 112.4° | 103.7° |
| O11 | P1 | O13 | 109.4° | 114.7° |
| P1 | O11 | P2 | 129.2° | 131.0° |
| O12 | P1 | O13 | 113.2° | 114.4° |
| P1 | O12 | HO2 | 109.5° | 118.9° |
| O11 | P2 | O21 | 103.1° | 103.1° |
| O11 | P2 | O22 | 105.6° | 114.6° |
| O11 | P2 | O23 | 107.6° | 103.4° |
| O21 | P2 | O22 | 112.9° | 115.2° |
| O21 | P2 | O23 | 114.8° | 103.6° |
| P2 | O21 | HO1 | 109.5° | 119.0° |
| O22 | P2 | O23 | 111.8° | 115.3° |
| P2 | O23 | HO3 | 109.5° | 119.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2' | C2A | N3' | 177.8° | 179.9° |
| N1' | C2' | C2A | H2A1 | 1.5° | 120.9° |
| N1' | C2' | C2A | H2A2 | 121.5° | 118.7° |
| N1' | C2' | C2A | H2A3 | 118.5° | 0.3° |
| N1' | C2' | N3' | C4' | 0.4° | 0.1° |
| C2' | N1' | C6' | C5' | 1.1° | 0.0° |
| C2' | N1' | C6' | H6' | 179.0° | 179.9° |
| C6' | N1' | C2' | C2A | 179.3° | 179.9° |
| C6' | N1' | C2' | N3' | 1.5° | 0.0° |
| N1' | C6' | C5' | C4' | 1.1° | 0.0° |
| N1' | C6' | C5' | H6' | 180.0° | 179.9° |
| N1' | C6' | C5' | C35 | 179.1° | 180.0° |
| C2' | C2A | H2A1 | H2A2 | 120.0° | 122.2° |
| C2' | C2A | H2A1 | H2A3 | 120.0° | 122.2° |
| C2' | C2A | H2A2 | H2A3 | 120.0° | 121.7° |
| C2A | C2' | N3' | C4' | 177.4° | 180.0° |
| N3' | C2' | C2A | H2A1 | 179.3° | 59.3° |
| N3' | C2' | C2A | H2A2 | 60.7° | 61.2° |
| N3' | C2' | C2A | H2A3 | 59.3° | 179.8° |
| C2' | N3' | C4' | N4' | 174.4° | 180.0° |
| C2' | N3' | C4' | C5' | 2.8° | 0.1° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 116.7° |
| N3' | C4' | N4' | C5' | 177.1° | 179.9° |
| N3' | C4' | N4' | O4' | 17.2° | 1.2° |
| N3' | C4' | N4' | H4' | 102.8° | 180.0° |
| N3' | C4' | C5' | C6' | 2.9° | 0.0° |
| N3' | C4' | C5' | C35 | 179.2° | 179.9° |
| C4' | N4' | O4' | H4' | 120.0° | 178.8° |
| N4' | C4' | C5' | C6' | 174.1° | 180.0° |
| N4' | C4' | C5' | C35 | 3.8° | 0.0° |
| C4' | N4' | O4' | H4 | 99.7° | 117.9° |
| C5' | C4' | N4' | O4' | 165.6° | 178.7° |
| C5' | C4' | N4' | H4' | 74.4° | 0.0° |
| C4' | C5' | C6' | C35 | 178.0° | 180.0° |
| C4' | C5' | C6' | H6' | 178.9° | 179.9° |
| C4' | C5' | C35 | N3 | 72.2° | 180.0° |
| C4' | C5' | C35 | H351 | 171.7° | 59.0° |
| C4' | C5' | C35 | H352 | 47.8° | 59.1° |
| H4' | N4' | O4' | H4 | 140.3° | 63.3° |
| C6' | C5' | C35 | N3 | 110.1° | 0.0° |
| C6' | C5' | C35 | H351 | 6.1° | 121.0° |
| C6' | C5' | C35 | H352 | 129.9° | 121.0° |
| C35 | C5' | C6' | H6' | 0.9° | 0.1° |
| C5' | C35 | N3 | H351 | 116.1° | 121.9° |
| C5' | C35 | N3 | H352 | 120.0° | 121.9° |
| C5' | C35 | H351 | H352 | 117.7° | 120.7° |
| C5' | C35 | N3 | C2 | 77.7° | 89.9° |
| C5' | C35 | N3 | C4 | 105.3° | 90.0° |
| N3 | C35 | H351 | H352 | 117.7° | 118.1° |
| C35 | N3 | C2 | C4 | 177.2° | 179.9° |
| C35 | N3 | C2 | S1 | 177.5° | 180.0° |
| C35 | N3 | C2 | H2 | 2.5° | 0.0° |
| C35 | N3 | C4 | C5 | 176.9° | 180.0° |
| C35 | N3 | C4 | C4A | 0.6° | 0.0° |
| H351 | C35 | N3 | C2 | 166.1° | 31.9° |
| H351 | C35 | N3 | C4 | 10.9° | 148.1° |
| H352 | C35 | N3 | C2 | 42.3° | 148.2° |
| H352 | C35 | N3 | C4 | 134.7° | 31.9° |
| N3 | C2 | S1 | H2 | 180.0° | 180.0° |
| N3 | C2 | S1 | C5 | 0.6° | 0.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| C2 | N3 | C4 | C4A | 177.8° | 180.0° |
| C4 | N3 | C2 | S1 | 0.3° | 0.0° |
| C4 | N3 | C2 | H2 | 179.7° | 179.9° |
| N3 | C4 | C5 | S1 | 0.7° | 0.0° |
| N3 | C4 | C5 | C4A | 177.5° | 180.0° |
| N3 | C4 | C5 | C5A | 177.1° | 180.0° |
| N3 | C4 | C4A | H4A1 | 120.4° | 127.0° |
| N3 | C4 | C4A | H4A2 | 119.6° | 112.5° |
| N3 | C4 | C4A | H4A3 | 0.4° | 6.5° |
| C2 | S1 | C5 | C4 | 0.8° | 0.0° |
| C2 | S1 | C5 | C5A | 177.3° | 180.0° |
| H2 | C2 | S1 | C5 | 179.4° | 180.0° |
| S1 | C5 | C4 | C5A | 177.9° | 179.9° |
| S1 | C5 | C4 | C4A | 178.3° | 180.0° |
| S1 | C5 | C5A | C5B | 37.4° | 90.0° |
| S1 | C5 | C5A | H5A1 | 155.3° | 32.5° |
| S1 | C5 | C5A | H5A2 | 82.6° | 148.8° |
| C5 | C4 | C4A | H4A1 | 56.6° | 53.1° |
| C5 | C4 | C4A | H4A2 | 63.3° | 67.5° |
| C5 | C4 | C4A | H4A3 | 176.6° | 173.5° |
| C4 | C5 | C5A | C5B | 144.7° | 90.0° |
| C4 | C5 | C5A | H5A1 | 26.8° | 147.6° |
| C4 | C5 | C5A | H5A2 | 95.3° | 31.3° |
| C5A | C5 | C4 | C4A | 0.4° | 0.1° |
| C5 | C5A | C5B | H5A1 | 117.9° | 122.4° |
| C5 | C5A | C5B | H5A2 | 120.0° | 121.3° |
| C5 | C5A | H5A1 | H5A2 | 118.7° | 117.9° |
| C5 | C5A | C5B | O5G | 164.1° | 58.3° |
| C5 | C5A | C5B | H5B1 | 75.8° | 60.0° |
| C5 | C5A | C5B | H5B2 | 44.1° | 179.2° |
| C4 | C4A | H4A1 | H4A2 | 120.0° | 123.4° |
| C4 | C4A | H4A1 | H4A3 | 120.0° | 123.3° |
| C4 | C4A | H4A2 | H4A3 | 120.0° | 122.8° |
| H4A1 | C4A | H4A2 | H4A3 | 120.0° | 114.4° |
| C5B | C5A | H5A1 | H5A2 | 118.7° | 117.8° |
| C5A | C5B | O5G | H5B1 | 120.1° | 119.5° |
| C5A | C5B | O5G | H5B2 | 120.0° | 122.7° |
| C5A | C5B | H5B1 | H5B2 | 120.1° | 122.7° |
| C5A | C5B | O5G | P1 | 177.9° | 179.9° |
| H5A1 | C5A | C5B | O5G | 46.2° | 179.3° |
| H5A1 | C5A | C5B | H5B1 | 166.3° | 62.4° |
| H5A1 | C5A | C5B | H5B2 | 73.8° | 58.4° |
| H5A2 | C5A | C5B | O5G | 75.9° | 63.0° |
| H5A2 | C5A | C5B | H5B1 | 44.2° | 178.7° |
| H5A2 | C5A | C5B | H5B2 | 164.1° | 57.9° |
| O5G | C5B | H5B1 | H5B2 | 120.0° | 117.8° |
| C5B | O5G | P1 | O11 | 60.3° | 54.6° |
| C5B | O5G | P1 | O12 | 177.8° | 53.6° |
| C5B | O5G | P1 | O13 | 58.0° | 180.0° |
| H5B1 | C5B | O5G | P1 | 57.8° | 60.5° |
| H5B2 | C5B | O5G | P1 | 62.2° | 57.3° |
| O5G | P1 | O11 | O12 | 117.7° | 108.9° |
| O5G | P1 | O11 | O13 | 115.7° | 125.7° |
| O5G | P1 | O12 | O13 | 114.2° | 126.9° |
| O5G | P1 | O11 | P2 | 61.9° | 65.8° |
| O5G | P1 | O12 | HO2 | 2.5° | 172.9° |
| O11 | P1 | O12 | O13 | 124.6° | 125.6° |
| P1 | O11 | P2 | O21 | 26.1° | 66.0° |
| P1 | O11 | P2 | O22 | 144.8° | 60.1° |
| P1 | O11 | P2 | O23 | 95.6° | 173.6° |
| O11 | P1 | O12 | HO2 | 118.7° | 79.5° |
| O12 | P1 | O11 | P2 | 55.7° | 174.7° |
| O13 | P1 | O11 | P2 | 177.6° | 59.9° |
| O13 | P1 | O12 | HO2 | 116.7° | 46.0° |
| O11 | P2 | O21 | O22 | 113.5° | 125.6° |
| O11 | P2 | O21 | O23 | 116.8° | 107.5° |
| O11 | P2 | O22 | O23 | 116.8° | 119.9° |
| O11 | P2 | O21 | HO1 | 87.0° | 174.1° |
| O11 | P2 | O23 | HO3 | 157.5° | 174.8° |
| O21 | P2 | O22 | O23 | 131.3° | 120.6° |
| O21 | P2 | O23 | HO3 | 88.3° | 77.9° |
| O22 | P2 | O21 | HO1 | 159.6° | 48.5° |
| O22 | P2 | O23 | HO3 | 42.0° | 48.9° |
| O23 | P2 | O21 | HO1 | 29.8° | 78.4° |
