T41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N1 | C1' | sing | 1.46Å | 1.49Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C5M | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5M | H5M1 | sing | 1.09Å | 1.10Å | |
| C5M | H5M2 | sing | 1.09Å | 1.10Å | |
| C5M | H5M3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.55Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| O2' | C6' | sing | 1.43Å | 1.39Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| C6' | H11 | sing | 1.09Å | 1.10Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| C6' | H13 | sing | 1.09Å | 1.10Å | |
| P | O1P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.62Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.2° | 120.6° |
| C2 | N1 | C1' | 118.4° | 119.7° |
| N1 | C2 | N3 | 116.1° | 121.0° |
| N1 | C2 | O2 | 123.5° | 119.5° |
| C6 | N1 | C1' | 121.3° | 119.7° |
| N1 | C6 | C5 | 122.6° | 119.7° |
| N1 | C6 | H6 | 118.7° | 120.1° |
| N1 | C1' | C2' | 117.9° | 110.4° |
| N1 | C1' | O4' | 111.7° | 110.4° |
| N1 | C1' | H1' | 106.7° | 110.4° |
| N3 | C2 | O2 | 120.3° | 119.5° |
| C2 | N3 | C4 | 126.5° | 120.3° |
| C2 | N3 | H3 | 116.7° | 119.8° |
| C4 | N3 | H3 | 116.7° | 119.9° |
| N3 | C4 | C5 | 113.8° | 119.4° |
| N3 | C4 | O4 | 120.3° | 120.3° |
| C5 | C4 | O4 | 125.9° | 120.3° |
| C4 | C5 | C5M | 120.5° | 120.5° |
| C4 | C5 | C6 | 120.6° | 119.1° |
| C5M | C5 | C6 | 118.9° | 120.5° |
| C5 | C5M | H5M1 | 109.5° | 109.5° |
| C5 | C5M | H5M2 | 109.5° | 109.5° |
| C5 | C5M | H5M3 | 109.4° | 109.4° |
| C5 | C6 | H6 | 118.7° | 120.1° |
| H5M1 | C5M | H5M2 | 109.5° | 109.6° |
| H5M1 | C5M | H5M3 | 109.5° | 109.4° |
| H5M2 | C5M | H5M3 | 109.5° | 109.5° |
| C2' | C1' | O4' | 105.8° | 104.8° |
| C2' | C1' | H1' | 106.6° | 110.4° |
| C1' | C2' | O2' | 113.1° | 110.5° |
| C1' | C2' | C3' | 102.9° | 104.1° |
| C1' | C2' | H2'1 | 110.3° | 110.5° |
| O4' | C1' | H1' | 107.6° | 110.5° |
| C1' | O4' | C4' | 108.2° | 105.3° |
| O2' | C2' | C3' | 108.3° | 110.5° |
| O2' | C2' | H2'1 | 111.8° | 110.5° |
| C2' | O2' | C6' | 106.4° | 114.0° |
| C3' | C2' | H2'1 | 110.0° | 110.7° |
| C2' | C3' | C4' | 102.0° | 104.1° |
| C2' | C3' | O3' | 113.4° | 110.5° |
| C2' | C3' | H3' | 110.7° | 110.5° |
| O2' | C6' | H11 | 109.5° | 109.5° |
| O2' | C6' | H12 | 109.5° | 109.5° |
| O2' | C6' | H13 | 109.5° | 109.4° |
| C4' | C3' | O3' | 107.5° | 110.5° |
| C4' | C3' | H3' | 110.5° | 110.6° |
| C3' | C4' | O4' | 108.2° | 104.8° |
| C3' | C4' | C5' | 113.7° | 110.3° |
| C3' | C4' | H4' | 108.6° | 110.4° |
| O3' | C3' | H3' | 112.3° | 110.6° |
| C3' | O3' | HA | 109.5° | 114.0° |
| O4' | C4' | C5' | 107.7° | 110.4° |
| O4' | C4' | H4' | 110.1° | 110.4° |
| C5' | C4' | H4' | 108.6° | 110.4° |
| C4' | C5' | O5' | 112.0° | 109.5° |
| C4' | C5' | H5'1 | 108.8° | 109.5° |
| C4' | C5' | H5'2 | 108.8° | 109.4° |
| O5' | C5' | H5'1 | 108.8° | 109.4° |
| O5' | C5' | H5'2 | 108.8° | 109.5° |
| C5' | O5' | P | 121.4° | 123.0° |
| H5'1 | C5' | H5'2 | 109.5° | 109.5° |
| O5' | P | O1P | 107.9° | 109.5° |
| O5' | P | O2P | 108.0° | 109.5° |
| O5' | P | O3P | 103.5° | 109.4° |
| H11 | C6' | H12 | 109.5° | 109.4° |
| H11 | C6' | H13 | 109.4° | 109.5° |
| H12 | C6' | H13 | 109.4° | 109.5° |
| O1P | P | O2P | 119.8° | 109.5° |
| O1P | P | O3P | 107.9° | 109.5° |
| O2P | P | O3P | 108.5° | 109.5° |
| P | O2P | H2P | 109.5° | 114.0° |
| P | O3P | H3P | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 178.3° | 179.8° |
| N1 | C2 | N3 | O2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.1° |
| N1 | C2 | N3 | H3 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.0° |
| C2 | N1 | C6 | H6 | 179.2° | 180.0° |
| C2 | N1 | C1' | C2' | 121.3° | 65.0° |
| C2 | N1 | C1' | O4' | 116.0° | 50.4° |
| C2 | N1 | C1' | H1' | 1.4° | 172.7° |
| C6 | N1 | C2 | N3 | 1.1° | 0.0° |
| C6 | N1 | C2 | O2 | 178.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | C5M | 178.7° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | N1 | C1' | C2' | 60.4° | 114.7° |
| C6 | N1 | C1' | O4' | 62.4° | 129.9° |
| C6 | N1 | C1' | H1' | 179.7° | 7.5° |
| C1' | N1 | C2 | N3 | 177.3° | 179.8° |
| C1' | N1 | C2 | O2 | 2.8° | 0.2° |
| C1' | N1 | C6 | C5 | 177.5° | 179.7° |
| C1' | N1 | C6 | H6 | 2.5° | 0.3° |
| N1 | C1' | C2' | O4' | 125.7° | 118.8° |
| N1 | C1' | C2' | H1' | 119.9° | 122.2° |
| N1 | C1' | O4' | H1' | 116.8° | 122.3° |
| N1 | C1' | C2' | O2' | 45.9° | 24.2° |
| N1 | C1' | C2' | C3' | 162.6° | 142.8° |
| N1 | C1' | C2' | H2'1 | 80.1° | 98.4° |
| N1 | C1' | O4' | C4' | 159.3° | 159.3° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| C2 | N3 | C4 | O4 | 179.0° | 180.0° |
| O2 | C2 | N3 | C4 | 179.8° | 180.0° |
| O2 | C2 | N3 | H3 | 0.2° | 0.0° |
| N3 | C4 | C5 | O4 | 180.0° | 179.9° |
| N3 | C4 | C5 | C5M | 177.8° | 180.0° |
| N3 | C4 | C5 | C6 | 1.3° | 0.0° |
| H3 | N3 | C4 | C5 | 179.1° | 180.0° |
| H3 | N3 | C4 | O4 | 1.0° | 0.0° |
| C4 | C5 | C5M | C6 | 179.1° | 180.0° |
| C4 | C5 | C5M | H5M1 | 180.0° | 0.0° |
| C4 | C5 | C5M | H5M2 | 60.0° | 120.0° |
| C4 | C5 | C5M | H5M3 | 60.0° | 120.0° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| O4 | C4 | C5 | C5M | 2.2° | 0.1° |
| O4 | C4 | C5 | C6 | 178.7° | 179.9° |
| C5 | C5M | H5M1 | H5M2 | 120.0° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 120.0° | 119.9° |
| C5 | C5M | H5M2 | H5M3 | 120.0° | 119.9° |
| C5M | C5 | C6 | H6 | 1.3° | 0.0° |
| C6 | C5 | C5M | H5M1 | 0.9° | 180.0° |
| C6 | C5 | C5M | H5M2 | 119.1° | 60.0° |
| C6 | C5 | C5M | H5M3 | 120.9° | 60.0° |
| H5M1 | C5M | H5M2 | H5M3 | 120.0° | 120.0° |
| C2' | C1' | O4' | H1' | 113.7° | 118.8° |
| C1' | C2' | O2' | C3' | 113.4° | 114.6° |
| C1' | C2' | O2' | H2'1 | 125.3° | 122.5° |
| C1' | C2' | C3' | H2'1 | 117.5° | 118.7° |
| C1' | C2' | O2' | C6' | 136.0° | 150.0° |
| C1' | C2' | C3' | C4' | 28.8° | 0.0° |
| C1' | C2' | C3' | O3' | 86.4° | 118.7° |
| C1' | C2' | C3' | H3' | 146.4° | 118.7° |
| C2' | C1' | O4' | C4' | 29.8° | 40.5° |
| O4' | C1' | C2' | O2' | 79.8° | 94.7° |
| O4' | C1' | C2' | C3' | 36.9° | 24.0° |
| O4' | C1' | C2' | H2'1 | 154.1° | 142.8° |
| C1' | O4' | C4' | C3' | 10.5° | 40.5° |
| C1' | O4' | C4' | C5' | 133.8° | 159.3° |
| C1' | O4' | C4' | H4' | 107.9° | 78.3° |
| H1' | C1' | C2' | O2' | 165.9° | 146.4° |
| H1' | C1' | C2' | C3' | 77.5° | 95.0° |
| H1' | C1' | C2' | H2'1 | 39.8° | 23.9° |
| H1' | C1' | O4' | C4' | 83.9° | 78.3° |
| O2' | C2' | C3' | H2'1 | 122.5° | 122.7° |
| O2' | C2' | C3' | C4' | 91.2° | 118.6° |
| O2' | C2' | C3' | O3' | 153.6° | 122.7° |
| O2' | C2' | C3' | H3' | 26.4° | 0.1° |
| C2' | O2' | C6' | H11 | 180.0° | 59.9° |
| C2' | O2' | C6' | H12 | 60.0° | 60.0° |
| C2' | O2' | C6' | H13 | 60.0° | 180.0° |
| C3' | C2' | O2' | C6' | 110.6° | 95.4° |
| C2' | C3' | C4' | O3' | 119.5° | 118.6° |
| C2' | C3' | C4' | H3' | 117.7° | 118.6° |
| C2' | C3' | O3' | H3' | 126.4° | 122.6° |
| C2' | C3' | C4' | O4' | 12.3° | 24.0° |
| C2' | C3' | C4' | C5' | 107.3° | 142.8° |
| C2' | C3' | C4' | H4' | 131.8° | 94.9° |
| C2' | C3' | O3' | HA | 180.0° | 179.9° |
| H2'1 | C2' | O2' | C6' | 10.7° | 27.5° |
| H2'1 | C2' | C3' | C4' | 146.4° | 118.6° |
| H2'1 | C2' | C3' | O3' | 31.1° | 0.0° |
| H2'1 | C2' | C3' | H3' | 96.1° | 122.7° |
| O2' | C6' | H11 | H12 | 120.0° | 120.0° |
| O2' | C6' | H11 | H13 | 120.0° | 120.0° |
| O2' | C6' | H12 | H13 | 120.0° | 120.0° |
| C4' | C3' | O3' | H3' | 121.7° | 122.7° |
| C3' | C4' | O4' | C5' | 123.3° | 118.8° |
| C3' | C4' | O4' | H4' | 118.5° | 118.9° |
| C3' | C4' | C5' | H4' | 121.0° | 122.3° |
| C4' | C3' | O3' | HA | 68.1° | 65.4° |
| C3' | C4' | C5' | O5' | 57.9° | 175.0° |
| C3' | C4' | C5' | H5'1 | 178.3° | 55.0° |
| C3' | C4' | C5' | H5'2 | 62.4° | 65.0° |
| O3' | C3' | C4' | O4' | 107.3° | 142.6° |
| O3' | C3' | C4' | C5' | 133.2° | 98.6° |
| O3' | C3' | C4' | H4' | 12.2° | 23.7° |
| H3' | C3' | C4' | O4' | 130.0° | 94.6° |
| H3' | C3' | C4' | C5' | 10.4° | 24.2° |
| H3' | C3' | C4' | H4' | 110.6° | 146.5° |
| H3' | C3' | O3' | HA | 53.6° | 57.3° |
| O4' | C4' | C5' | H4' | 119.2° | 122.3° |
| O4' | C4' | C5' | O5' | 61.9° | 69.6° |
| O4' | C4' | C5' | H5'1 | 58.5° | 170.4° |
| O4' | C4' | C5' | H5'2 | 177.7° | 50.4° |
| C4' | C5' | O5' | H5'1 | 120.4° | 120.0° |
| C4' | C5' | O5' | H5'2 | 120.4° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| C4' | C5' | O5' | P | 170.2° | 180.0° |
| H4' | C4' | C5' | O5' | 178.9° | 52.7° |
| H4' | C4' | C5' | H5'1 | 60.8° | 67.3° |
| H4' | C4' | C5' | H5'2 | 58.5° | 172.7° |
| O5' | C5' | H5'1 | H5'2 | 118.8° | 120.0° |
| C5' | O5' | P | O1P | 59.0° | 54.9° |
| C5' | O5' | P | O2P | 170.1° | 175.0° |
| C5' | O5' | P | O3P | 55.2° | 65.0° |
| H5'1 | C5' | O5' | P | 49.9° | 60.0° |
| H5'2 | C5' | O5' | P | 69.4° | 60.0° |
| O5' | P | O1P | O2P | 124.1° | 120.0° |
| O5' | P | O1P | O3P | 111.2° | 120.0° |
| O5' | P | O2P | O3P | 111.6° | 119.9° |
| O5' | P | O2P | H2P | 124.0° | 180.0° |
| O5' | P | O3P | H3P | 114.2° | 60.0° |
| H11 | C6' | H12 | H13 | 119.9° | 120.0° |
| O1P | P | O2P | O3P | 124.5° | 120.0° |
| O1P | P | O2P | H2P | 0.0° | 60.0° |
| O1P | P | O3P | H3P | 0.0° | 180.0° |
| O2P | P | O3P | H3P | 131.3° | 59.9° |
| O3P | P | O2P | H2P | 124.5° | 60.0° |
