MMT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3X | NP | sing | 1.47Å | 1.46Å | |
| C3X | HC31 | sing | 1.09Å | 1.09Å | |
| C3X | HC32 | sing | 1.09Å | 1.09Å | |
| C3X | HC33 | sing | 1.09Å | 1.11Å | |
| NP | CP | sing | 1.47Å | 1.46Å | |
| NP | O5' | sing | 1.46Å | 1.48Å | |
| CP | HNP1 | sing | 1.09Å | 1.09Å | |
| CP | HNP2 | sing | 1.09Å | 1.09Å | |
| CP | HNP3 | sing | 1.09Å | 1.09Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.09Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | H3 | sing | 0.97Å | 1.01Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5 | C5M | sing | 1.51Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5M | H71 | sing | 1.09Å | 1.09Å | |
| C5M | H72 | sing | 1.09Å | 1.09Å | |
| C5M | H73 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NP | C3X | HC31 | 114.0° | 109.4° |
| NP | C3X | HC32 | 112.5° | 109.5° |
| NP | C3X | HC33 | 114.0° | 109.5° |
| C3X | NP | CP | 104.7° | 106.7° |
| C3X | NP | O5' | 125.3° | 106.7° |
| HC31 | C3X | HC32 | 86.5° | 109.4° |
| HC31 | C3X | HC33 | 54.9° | 109.5° |
| HC32 | C3X | HC33 | 32.8° | 109.5° |
| CP | NP | O5' | 105.4° | 106.8° |
| NP | CP | HNP1 | 106.2° | 109.5° |
| NP | CP | HNP2 | 104.3° | 109.6° |
| NP | CP | HNP3 | 106.5° | 109.5° |
| NP | O5' | C5' | 127.9° | 106.8° |
| HNP1 | CP | HNP2 | 114.6° | 109.4° |
| HNP1 | CP | HNP3 | 110.8° | 109.4° |
| HNP2 | CP | HNP3 | 113.6° | 109.5° |
| O5' | C5' | C4' | 112.7° | 109.5° |
| O5' | C5' | H5' | 120.3° | 109.5° |
| O5' | C5' | H5'' | 114.7° | 109.5° |
| C4' | C5' | H5' | 99.6° | 109.4° |
| C4' | C5' | H5'' | 104.0° | 109.5° |
| C5' | C4' | O4' | 113.2° | 110.6° |
| C5' | C4' | C3' | 113.2° | 110.7° |
| C5' | C4' | H4' | 113.7° | 110.6° |
| H5' | C5' | H5'' | 103.3° | 109.5° |
| O4' | C4' | C3' | 112.4° | 103.6° |
| O4' | C4' | H4' | 100.8° | 110.6° |
| C4' | O4' | C1' | 108.0° | 107.0° |
| C3' | C4' | H4' | 102.4° | 110.6° |
| C4' | C3' | C2' | 96.3° | 102.1° |
| C4' | C3' | O3' | 106.0° | 111.1° |
| C4' | C3' | H3' | 107.8° | 110.8° |
| O4' | C1' | C2' | 105.7° | 107.3° |
| O4' | C1' | N1 | 107.4° | 109.9° |
| O4' | C1' | H1' | 108.7° | 109.9° |
| C2' | C1' | N1 | 111.1° | 110.0° |
| C2' | C1' | H1' | 109.6° | 109.8° |
| C1' | C2' | C3' | 109.9° | 104.2° |
| C1' | C2' | H2' | 113.4° | 110.5° |
| C1' | C2' | H2'' | 110.0° | 110.4° |
| N1 | C1' | H1' | 113.9° | 109.9° |
| C1' | N1 | C2 | 116.7° | 119.7° |
| C1' | N1 | C6 | 120.2° | 119.7° |
| C3' | C2' | H2' | 136.6° | 110.4° |
| C3' | C2' | H2'' | 87.5° | 110.6° |
| C2' | C3' | O3' | 119.2° | 110.9° |
| C2' | C3' | H3' | 114.1° | 110.9° |
| H2' | C2' | H2'' | 77.9° | 110.5° |
| O3' | C3' | H3' | 111.3° | 110.8° |
| C3' | O3' | HO3' | 106.0° | 106.8° |
| C2 | N1 | C6 | 119.9° | 120.7° |
| N1 | C2 | N3 | 117.9° | 120.9° |
| N1 | C2 | O2 | 122.8° | 119.6° |
| N1 | C6 | C5 | 121.4° | 119.7° |
| N1 | C6 | H6 | 116.6° | 120.2° |
| N3 | C2 | O2 | 119.2° | 119.5° |
| C2 | N3 | C4 | 121.1° | 120.3° |
| C2 | N3 | H3 | 112.9° | 119.9° |
| C4 | N3 | H3 | 111.2° | 119.8° |
| N3 | C4 | C5 | 115.0° | 119.4° |
| N3 | C4 | O4 | 116.1° | 120.3° |
| C5 | C4 | O4 | 128.8° | 120.3° |
| C4 | C5 | C6 | 120.2° | 119.1° |
| C4 | C5 | C5M | 122.2° | 120.5° |
| C6 | C5 | C5M | 117.6° | 120.5° |
| C5 | C6 | H6 | 122.0° | 120.1° |
| C5 | C5M | H71 | 109.9° | 109.5° |
| C5 | C5M | H72 | 111.6° | 109.5° |
| C5 | C5M | H73 | 109.3° | 109.4° |
| H71 | C5M | H72 | 108.4° | 109.5° |
| H71 | C5M | H73 | 109.0° | 109.4° |
| H72 | C5M | H73 | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NP | C3X | HC31 | HC32 | 113.1° | 120.0° |
| NP | C3X | HC31 | HC33 | 103.4° | 120.0° |
| NP | C3X | HC32 | HC33 | 99.9° | 120.1° |
| C3X | NP | CP | O5' | 133.8° | 113.8° |
| C3X | NP | CP | HNP1 | 173.0° | 180.0° |
| C3X | NP | CP | HNP2 | 65.6° | 60.0° |
| C3X | NP | CP | HNP3 | 54.8° | 60.0° |
| C3X | NP | O5' | C5' | 161.6° | 120.0° |
| HC31 | C3X | HC32 | HC33 | 14.7° | 120.0° |
| HC31 | C3X | NP | CP | 115.4° | 173.8° |
| HC31 | C3X | NP | O5' | 123.2° | 59.9° |
| HC32 | C3X | NP | CP | 19.0° | 53.9° |
| HC32 | C3X | NP | O5' | 140.4° | 60.0° |
| HC33 | C3X | NP | CP | 54.8° | 66.2° |
| HC33 | C3X | NP | O5' | 176.2° | 179.9° |
| NP | CP | HNP1 | HNP2 | 114.6° | 120.1° |
| NP | CP | HNP1 | HNP3 | 115.3° | 120.0° |
| NP | CP | HNP2 | HNP3 | 115.5° | 120.0° |
| CP | NP | O5' | C5' | 40.5° | 126.2° |
| O5' | NP | CP | HNP1 | 53.2° | 66.2° |
| O5' | NP | CP | HNP2 | 68.2° | 173.8° |
| O5' | NP | CP | HNP3 | 171.4° | 53.8° |
| NP | O5' | C5' | C4' | 179.4° | 180.0° |
| NP | O5' | C5' | H5' | 62.3° | 60.0° |
| NP | O5' | C5' | H5'' | 61.9° | 59.9° |
| HNP1 | CP | HNP2 | HNP3 | 128.8° | 119.9° |
| O5' | C5' | C4' | H5' | 128.8° | 120.0° |
| O5' | C5' | C4' | H5'' | 124.9° | 120.0° |
| O5' | C5' | H5' | H5'' | 129.5° | 120.0° |
| O5' | C5' | C4' | O4' | 17.9° | 63.6° |
| O5' | C5' | C4' | C3' | 111.6° | 177.8° |
| O5' | C5' | C4' | H4' | 132.0° | 59.3° |
| C4' | C5' | H5' | H5'' | 107.0° | 120.0° |
| C5' | C4' | O4' | C3' | 129.9° | 118.6° |
| C5' | C4' | O4' | H4' | 121.7° | 122.9° |
| C5' | C4' | C3' | H4' | 122.8° | 122.9° |
| C5' | C4' | O4' | C1' | 154.4° | 158.6° |
| C5' | C4' | C3' | C2' | 157.7° | 155.4° |
| C5' | C4' | C3' | O3' | 79.4° | 86.3° |
| C5' | C4' | C3' | H3' | 39.9° | 37.3° |
| H5' | C5' | C4' | O4' | 110.9° | 56.4° |
| H5' | C5' | C4' | C3' | 119.6° | 57.8° |
| H5' | C5' | C4' | H4' | 3.3° | 179.3° |
| H5'' | C5' | C4' | O4' | 142.7° | 176.4° |
| H5'' | C5' | C4' | C3' | 13.2° | 62.2° |
| H5'' | C5' | C4' | H4' | 103.1° | 60.7° |
| O4' | C4' | C3' | H4' | 107.4° | 118.6° |
| C4' | O4' | C1' | C2' | 8.6° | 26.5° |
| C4' | O4' | C1' | N1 | 127.3° | 146.1° |
| C4' | O4' | C1' | H1' | 109.0° | 92.8° |
| O4' | C4' | C3' | C2' | 27.9° | 36.8° |
| O4' | C4' | C3' | O3' | 150.7° | 155.1° |
| O4' | C4' | C3' | H3' | 89.9° | 81.3° |
| C3' | C4' | O4' | C1' | 24.6° | 40.0° |
| C4' | C3' | C2' | C1' | 21.4° | 20.7° |
| C4' | C3' | C2' | O3' | 112.3° | 118.5° |
| C4' | C3' | C2' | H3' | 112.7° | 118.0° |
| C4' | C3' | C2' | H2' | 158.5° | 97.9° |
| C4' | C3' | C2' | H2'' | 89.0° | 139.4° |
| C4' | C3' | O3' | H3' | 117.0° | 123.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| H4' | C4' | O4' | C1' | 83.8° | 78.6° |
| H4' | C4' | C3' | C2' | 79.5° | 81.7° |
| H4' | C4' | C3' | O3' | 43.4° | 36.6° |
| H4' | C4' | C3' | H3' | 162.7° | 160.1° |
| O4' | C1' | C2' | N1 | 116.2° | 119.5° |
| O4' | C1' | C2' | H1' | 117.0° | 119.4° |
| O4' | C1' | N1 | H1' | 120.4° | 121.1° |
| O4' | C1' | C2' | C3' | 9.6° | 2.2° |
| O4' | C1' | C2' | H2' | 170.3° | 120.7° |
| O4' | C1' | C2' | H2'' | 85.1° | 116.7° |
| O4' | C1' | N1 | C2 | 126.6° | 58.3° |
| O4' | C1' | N1 | C6 | 33.2° | 121.5° |
| C2' | C1' | N1 | H1' | 124.4° | 121.1° |
| C1' | C2' | C3' | H2' | 179.8° | 118.6° |
| C1' | C2' | C3' | H2'' | 110.4° | 118.7° |
| C1' | C2' | H2' | H2'' | 106.8° | 122.5° |
| C1' | C2' | C3' | O3' | 133.7° | 139.2° |
| C1' | C2' | C3' | H3' | 91.4° | 97.3° |
| C2' | C1' | N1 | C2 | 118.2° | 59.6° |
| C2' | C1' | N1 | C6 | 82.0° | 120.6° |
| N1 | C1' | C2' | C3' | 106.6° | 121.6° |
| N1 | C1' | C2' | H2' | 73.5° | 119.8° |
| N1 | C1' | C2' | H2'' | 158.6° | 2.8° |
| C1' | N1 | C2 | C6 | 159.8° | 179.8° |
| C1' | N1 | C2 | N3 | 145.2° | 179.8° |
| C1' | N1 | C2 | O2 | 33.9° | 0.2° |
| C1' | N1 | C6 | C5 | 151.3° | 180.0° |
| C1' | N1 | C6 | H6 | 28.7° | 0.0° |
| H1' | C1' | C2' | C3' | 126.6° | 117.2° |
| H1' | C1' | C2' | H2' | 53.3° | 1.4° |
| H1' | C1' | C2' | H2'' | 31.8° | 123.9° |
| H1' | C1' | N1 | C2 | 6.2° | 179.4° |
| H1' | C1' | N1 | C6 | 153.6° | 0.4° |
| C3' | C2' | H2' | H2'' | 73.0° | 122.7° |
| C2' | C3' | O3' | H3' | 136.1° | 123.6° |
| C2' | C3' | O3' | HO3' | 73.1° | 61.4° |
| H2' | C2' | C3' | O3' | 46.2° | 20.5° |
| H2' | C2' | C3' | H3' | 88.8° | 144.0° |
| H2'' | C2' | C3' | O3' | 23.3° | 102.1° |
| H2'' | C2' | C3' | H3' | 158.2° | 21.4° |
| H3' | C3' | O3' | HO3' | 63.0° | 62.2° |
| N1 | C2 | N3 | O2 | 179.1° | 179.6° |
| N1 | C2 | N3 | C4 | 23.0° | 0.5° |
| N1 | C2 | N3 | H3 | 158.6° | 179.8° |
| C2 | N1 | C6 | C5 | 7.8° | 0.2° |
| C2 | N1 | C6 | H6 | 172.1° | 179.8° |
| C6 | N1 | C2 | N3 | 14.6° | 0.4° |
| C6 | N1 | C2 | O2 | 166.3° | 180.0° |
| N1 | C6 | C5 | C4 | 8.3° | 0.1° |
| N1 | C6 | C5 | H6 | 179.9° | 180.0° |
| N1 | C6 | C5 | C5M | 169.0° | 180.0° |
| C2 | N3 | C4 | H3 | 136.2° | 179.7° |
| C2 | N3 | C4 | C5 | 22.9° | 0.3° |
| C2 | N3 | C4 | O4 | 154.9° | 179.7° |
| O2 | C2 | N3 | C4 | 157.8° | 179.9° |
| O2 | C2 | N3 | H3 | 22.3° | 0.2° |
| N3 | C4 | C5 | O4 | 177.5° | 179.9° |
| N3 | C4 | C5 | C6 | 15.4° | 0.1° |
| N3 | C4 | C5 | C5M | 161.8° | 180.0° |
| H3 | N3 | C4 | C5 | 159.1° | 180.0° |
| H3 | N3 | C4 | O4 | 18.7° | 0.0° |
| C4 | C5 | C6 | C5M | 177.4° | 179.9° |
| C4 | C5 | C6 | H6 | 171.6° | 179.9° |
| C4 | C5 | C5M | H71 | 33.6° | 0.0° |
| C4 | C5 | C5M | H72 | 153.9° | 120.1° |
| C4 | C5 | C5M | H73 | 85.9° | 119.9° |
| O4 | C4 | C5 | C6 | 162.1° | 179.9° |
| O4 | C4 | C5 | C5M | 20.6° | 0.0° |
| C6 | C5 | C5M | H71 | 143.7° | 179.9° |
| C6 | C5 | C5M | H72 | 23.4° | 60.0° |
| C6 | C5 | C5M | H73 | 96.8° | 60.0° |
| C5M | C5 | C6 | H6 | 11.1° | 0.0° |
| C5 | C5M | H71 | H72 | 122.2° | 120.0° |
| C5 | C5M | H71 | H73 | 119.7° | 119.9° |
| C5 | C5M | H72 | H73 | 120.6° | 120.0° |
| H71 | C5M | H72 | H73 | 118.3° | 120.0° |
