MTQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.34Å | 1.37Å | |
| N1 | C10 | sing | 1.36Å | 1.34Å | |
| C2 | N2 | sing | 1.33Å | 1.28Å | |
| C2 | N3 | sing | 1.37Å | 1.29Å | |
| N3 | C4 | sing | 1.39Å | 1.39Å | |
| C4 | O4 | doub | 1.23Å | 1.31Å | |
| C4 | C9 | sing | 1.44Å | 1.45Å | |
| N5 | C6 | sing | 1.46Å | 1.58Å | |
| N5 | C9 | sing | 1.39Å | 1.47Å | |
| C6 | C7 | sing | 1.56Å | 1.41Å | |
| C6 | C1' | sing | 1.53Å | 1.52Å | |
| C7 | N8 | sing | 1.46Å | 1.42Å | |
| C7 | O3' | sing | 1.44Å | 1.44Å | |
| N8 | C10 | sing | 1.36Å | 1.35Å | |
| C9 | C10 | doub | 1.41Å | 1.55Å | |
| C1' | S1' | sing | 1.67Å | 1.70Å | |
| C1' | C2' | doub | 1.35Å | 1.42Å | |
| S1' | MOM1 | sing | 2.28Å | 2.40Å | |
| C2' | S2' | sing | 1.68Å | 1.80Å | |
| C2' | C3' | sing | 1.52Å | 1.64Å | |
| S2' | MOM1 | sing | 2.29Å | 2.26Å | |
| C3' | O3' | sing | 1.44Å | 1.48Å | |
| C3' | C4' | sing | 1.53Å | 1.38Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| O4' | P | sing | 1.57Å | 1.41Å | |
| P | O1P | doub | 1.49Å | 1.36Å | |
| P | O2P | sing | 1.54Å | 1.40Å | |
| P | O3P | sing | 1.54Å | 1.52Å | |
| MOM1 | OM1 | doub | 1.66Å | 1.69Å | |
| N2 | H2L | sing | 0.88Å | 1.00Å | |
| N2 | H2 | sing | 0.88Å | 1.00Å | |
| C7 | H7 | sing | 0.99Å | 1.10Å | |
| N8 | H8 | sing | 0.88Å | 1.00Å | |
| MOM1 | OM2 | doub | 1.66Å | 1.74Å | |
| C4' | H4'1 | sing | 0.98Å | 1.10Å | |
| C4' | H4'2 | sing | 0.98Å | 1.10Å | |
| O2P | H2P | sing | 0.89Å | 0.95Å | |
| O3P | H3P | sing | 0.89Å | 0.95Å | |
| H1 | N3 | sing | 0.88Å | 1.00Å | |
| H3 | N5 | sing | 0.87Å | 1.00Å | |
| H4 | C3' | sing | 0.99Å | 1.10Å | |
| H5 | C6 | sing | 0.99Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C10 | 126.1° | 118.0° |
| N1 | C2 | N2 | 120.6° | 119.2° |
| N1 | C2 | N3 | 122.2° | 123.0° |
| N1 | C10 | N8 | 131.5° | 116.6° |
| N1 | C10 | C9 | 113.3° | 122.4° |
| N2 | C2 | N3 | 117.1° | 117.9° |
| C2 | N2 | H2L | 120.0° | 120.1° |
| C2 | N2 | H2 | 120.0° | 120.6° |
| C2 | N3 | C4 | 121.7° | 122.4° |
| C2 | N3 | H1 | 119.1° | 119.2° |
| N3 | C4 | O4 | 127.8° | 119.7° |
| N3 | C4 | C9 | 119.1° | 115.0° |
| C4 | N3 | H1 | 119.1° | 118.4° |
| O4 | C4 | C9 | 113.0° | 125.3° |
| C4 | C9 | N5 | 123.6° | 121.5° |
| C4 | C9 | C10 | 117.6° | 119.1° |
| C6 | N5 | C9 | 119.7° | 122.3° |
| N5 | C6 | C7 | 115.5° | 112.0° |
| N5 | C6 | C1' | 116.4° | 111.3° |
| C6 | N5 | H3 | 106.9° | 119.6° |
| N5 | C6 | H5 | 90.6° | 107.8° |
| N5 | C9 | C10 | 118.8° | 119.3° |
| C9 | N5 | H3 | 106.8° | 118.1° |
| C7 | C6 | C1' | 128.1° | 111.8° |
| C6 | C7 | N8 | 120.0° | 112.3° |
| C6 | C7 | O3' | 95.2° | 111.3° |
| C6 | C7 | H7 | 113.0° | 108.8° |
| C7 | C6 | H5 | 90.7° | 106.3° |
| C6 | C1' | S1' | 130.1° | 116.6° |
| C6 | C1' | C2' | 100.8° | 122.6° |
| C1' | C6 | H5 | 90.6° | 107.3° |
| N8 | C7 | O3' | 101.0° | 107.7° |
| C7 | N8 | C10 | 129.9° | 122.6° |
| N8 | C7 | H7 | 112.8° | 107.8° |
| C7 | N8 | H8 | 104.1° | 119.1° |
| C7 | O3' | C3' | 107.3° | 121.5° |
| O3' | C7 | H7 | 112.5° | 108.8° |
| N8 | C10 | C9 | 114.9° | 120.9° |
| C10 | N8 | H8 | 104.1° | 118.3° |
| S1' | C1' | C2' | 129.1° | 120.8° |
| C1' | S1' | MOM1 | 102.6° | 108.2° |
| C1' | C2' | S2' | 110.5° | 118.7° |
| C1' | C2' | C3' | 119.8° | 121.6° |
| S1' | MOM1 | S2' | 84.9° | 82.8° |
| S1' | MOM1 | OM1 | 86.3° | 93.6° |
| S1' | MOM1 | OM2 | 113.1° | 90.0° |
| S2' | C2' | C3' | 129.7° | 119.7° |
| C2' | S2' | MOM1 | 111.5° | 108.9° |
| C2' | C3' | O3' | 118.2° | 114.0° |
| C2' | C3' | C4' | 114.1° | 113.5° |
| C2' | C3' | H4 | 103.7° | 107.5° |
| S2' | MOM1 | OM1 | 119.3° | 176.4° |
| S2' | MOM1 | OM2 | 109.7° | 90.0° |
| O3' | C3' | C4' | 108.2° | 104.2° |
| O3' | C3' | H4 | 105.2° | 109.1° |
| C3' | C4' | O4' | 113.4° | 109.8° |
| C3' | C4' | H4'1 | 108.5° | 109.2° |
| C3' | C4' | H4'2 | 108.5° | 109.5° |
| C4' | C3' | H4 | 106.4° | 108.4° |
| C4' | O4' | P | 114.2° | 122.2° |
| O4' | C4' | H4'1 | 108.5° | 110.1° |
| O4' | C4' | H4'2 | 108.5° | 110.0° |
| O4' | P | O1P | 121.3° | 112.5° |
| O4' | P | O2P | 101.8° | 106.1° |
| O4' | P | O3P | 108.6° | 106.7° |
| O1P | P | O2P | 99.4° | 112.2° |
| O1P | P | O3P | 108.5° | 112.5° |
| O2P | P | O3P | 117.4° | 106.5° |
| P | O2P | H2P | 109.5° | 109.5° |
| P | O3P | H3P | 109.5° | 109.5° |
| OM1 | MOM1 | OM2 | 128.8° | 90.0° |
| H2L | N2 | H2 | 120.0° | 119.3° |
| H4'1 | C4' | H4'2 | 109.5° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 178.7° | 179.6° |
| N1 | C2 | N3 | C4 | 0.4° | 0.8° |
| C2 | N1 | C10 | N8 | 173.3° | 180.0° |
| C2 | N1 | C10 | C9 | 0.0° | 2.2° |
| N1 | C2 | N2 | H2L | 0.0° | 0.0° |
| N1 | C2 | N2 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | H1 | 179.6° | 179.7° |
| C10 | N1 | C2 | N2 | 178.3° | 179.2° |
| C10 | N1 | C2 | N3 | 0.4° | 1.2° |
| N1 | C10 | C9 | C4 | 1.0° | 2.6° |
| N1 | C10 | C9 | N5 | 179.6° | 179.5° |
| N1 | C10 | N8 | C7 | 175.9° | 170.2° |
| N1 | C10 | N8 | C9 | 173.2° | 177.9° |
| N1 | C10 | N8 | H8 | 61.4° | 10.1° |
| N2 | C2 | N3 | C4 | 179.1° | 179.6° |
| C2 | N2 | H2L | H2 | 180.0° | 180.0° |
| N2 | C2 | N3 | H1 | 0.9° | 0.1° |
| C2 | N3 | C4 | H1 | 180.0° | 179.5° |
| C2 | N3 | C4 | O4 | 177.0° | 179.7° |
| C2 | N3 | C4 | C9 | 1.5° | 1.2° |
| N3 | C2 | N2 | H2L | 178.7° | 179.6° |
| N3 | C2 | N2 | H2 | 1.3° | 0.4° |
| N3 | C4 | O4 | C9 | 175.7° | 178.4° |
| N3 | C4 | C9 | N5 | 178.9° | 179.8° |
| N3 | C4 | C9 | C10 | 1.8° | 2.0° |
| O4 | C4 | C9 | N5 | 2.8° | 1.7° |
| O4 | C4 | C9 | C10 | 177.9° | 179.5° |
| O4 | C4 | N3 | H1 | 3.0° | 0.8° |
| C4 | C9 | N5 | C6 | 179.1° | 169.6° |
| C4 | C9 | N5 | C10 | 179.3° | 177.8° |
| C4 | C9 | C10 | N8 | 173.4° | 179.6° |
| C9 | C4 | N3 | H1 | 178.5° | 179.3° |
| C4 | C9 | N5 | H3 | 57.7° | 10.2° |
| C6 | N5 | C9 | H3 | 121.4° | 179.8° |
| N5 | C6 | C7 | C1' | 177.7° | 125.7° |
| N5 | C6 | C7 | H5 | 91.0° | 117.5° |
| N5 | C6 | C1' | H5 | 91.0° | 117.7° |
| N5 | C6 | C7 | N8 | 12.4° | 36.0° |
| N5 | C6 | C7 | O3' | 93.5° | 84.8° |
| C6 | N5 | C9 | C10 | 0.2° | 12.6° |
| N5 | C6 | C1' | S1' | 46.5° | 71.3° |
| N5 | C6 | C1' | C2' | 133.3° | 111.0° |
| N5 | C6 | C7 | H7 | 149.4° | 155.3° |
| C9 | N5 | C6 | C7 | 9.0° | 29.9° |
| C9 | N5 | C6 | C1' | 173.1° | 155.9° |
| N5 | C9 | C10 | N8 | 5.9° | 1.7° |
| C9 | N5 | C6 | H5 | 82.1° | 86.7° |
| C7 | C6 | C1' | H5 | 91.3° | 116.2° |
| C6 | C7 | N8 | O3' | 102.6° | 122.9° |
| C6 | C7 | N8 | H7 | 137.0° | 119.9° |
| C6 | C7 | O3' | H7 | 117.5° | 119.9° |
| C6 | C7 | N8 | C10 | 7.2° | 29.3° |
| C7 | C6 | C1' | S1' | 135.9° | 162.6° |
| C7 | C6 | C1' | C2' | 44.4° | 15.1° |
| C6 | C7 | O3' | C3' | 65.8° | 48.6° |
| C6 | C7 | N8 | H8 | 115.4° | 150.4° |
| C7 | C6 | N5 | H3 | 112.5° | 150.4° |
| C1' | C6 | C7 | N8 | 169.9° | 161.7° |
| C1' | C6 | C7 | O3' | 84.2° | 40.9° |
| C6 | C1' | S1' | C2' | 179.7° | 177.7° |
| C6 | C1' | S1' | MOM1 | 170.4° | 168.5° |
| C6 | C1' | C2' | S2' | 177.8° | 171.0° |
| C6 | C1' | C2' | C3' | 3.4° | 8.3° |
| C1' | C6 | C7 | H7 | 32.9° | 79.0° |
| C1' | C6 | N5 | H3 | 65.5° | 24.4° |
| N8 | C7 | O3' | H7 | 120.6° | 116.6° |
| C7 | N8 | C10 | H8 | 122.6° | 179.7° |
| C7 | N8 | C10 | C9 | 2.7° | 11.9° |
| N8 | C7 | O3' | C3' | 172.3° | 172.1° |
| N8 | C7 | C6 | H5 | 78.6° | 81.5° |
| O3' | C7 | N8 | C10 | 95.4° | 93.6° |
| C7 | O3' | C3' | C2' | 37.6° | 25.5° |
| C7 | O3' | C3' | C4' | 169.2° | 149.7° |
| O3' | C7 | N8 | H8 | 141.9° | 86.7° |
| C7 | O3' | C3' | H4 | 77.4° | 94.7° |
| O3' | C7 | C6 | H5 | 175.5° | 157.7° |
| C10 | N8 | C7 | H7 | 144.2° | 149.2° |
| C9 | C10 | N8 | H8 | 125.4° | 167.8° |
| C10 | C9 | N5 | H3 | 121.6° | 167.7° |
| S1' | C1' | C2' | S2' | 2.4° | 6.6° |
| S1' | C1' | C2' | C3' | 176.4° | 174.1° |
| C1' | S1' | MOM1 | S2' | 9.9° | 6.3° |
| C1' | S1' | MOM1 | OM1 | 129.9° | 173.7° |
| C1' | S1' | MOM1 | OM2 | 99.3° | 83.7° |
| S1' | C1' | C6 | H5 | 44.5° | 46.4° |
| C2' | C1' | S1' | MOM1 | 9.9° | 9.2° |
| C1' | C2' | S2' | C3' | 178.7° | 179.3° |
| C1' | C2' | S2' | MOM1 | 7.3° | 0.5° |
| C1' | C2' | C3' | O3' | 2.2° | 5.0° |
| C1' | C2' | C3' | C4' | 126.7° | 114.1° |
| C1' | C2' | C3' | H4 | 118.0° | 126.1° |
| C2' | C1' | C6 | H5 | 135.7° | 131.3° |
| S1' | MOM1 | S2' | C2' | 9.9° | 3.6° |
| S1' | MOM1 | S2' | OM1 | 82.8° | 0.5° |
| S1' | MOM1 | S2' | OM2 | 112.7° | 90.0° |
| S1' | MOM1 | OM1 | OM2 | 116.8° | 90.0° |
| S2' | C2' | C3' | O3' | 179.2° | 174.3° |
| S2' | C2' | C3' | C4' | 51.9° | 66.7° |
| C2' | S2' | MOM1 | OM1 | 92.7° | 3.2° |
| C2' | S2' | MOM1 | OM2 | 102.7° | 86.3° |
| S2' | C2' | C3' | H4 | 63.4° | 53.2° |
| C3' | C2' | S2' | MOM1 | 174.0° | 179.8° |
| C2' | C3' | O3' | C4' | 131.6° | 124.2° |
| C2' | C3' | O3' | H4 | 115.0° | 120.2° |
| C2' | C3' | C4' | H4 | 113.7° | 119.3° |
| C2' | C3' | C4' | O4' | 161.8° | 168.0° |
| C2' | C3' | C4' | H4'1 | 41.2° | 71.2° |
| C2' | C3' | C4' | H4'2 | 77.7° | 47.0° |
| S2' | MOM1 | OM1 | OM2 | 161.2° | 89.5° |
| O3' | C3' | C4' | H4 | 112.6° | 116.1° |
| O3' | C3' | C4' | O4' | 64.5° | 67.5° |
| C3' | O3' | C7 | H7 | 51.7° | 71.3° |
| O3' | C3' | C4' | H4'1 | 174.9° | 53.3° |
| O3' | C3' | C4' | H4'2 | 56.1° | 171.6° |
| C3' | C4' | O4' | H4'1 | 120.6° | 120.3° |
| C3' | C4' | O4' | H4'2 | 120.6° | 120.6° |
| C3' | C4' | O4' | P | 163.5° | 161.9° |
| C3' | C4' | H4'1 | H4'2 | 118.2° | 119.1° |
| C4' | O4' | P | O1P | 43.9° | 57.0° |
| C4' | O4' | P | O2P | 152.8° | 180.0° |
| C4' | O4' | P | O3P | 82.7° | 66.8° |
| O4' | C4' | H4'1 | H4'2 | 118.2° | 120.3° |
| O4' | C4' | C3' | H4 | 48.1° | 48.6° |
| O4' | P | O1P | O2P | 110.1° | 119.5° |
| O4' | P | O1P | O3P | 126.7° | 120.5° |
| O4' | P | O2P | O3P | 118.4° | 113.4° |
| P | O4' | C4' | H4'1 | 75.9° | 77.8° |
| P | O4' | C4' | H4'2 | 43.0° | 41.3° |
| O4' | P | O2P | H2P | 124.9° | 180.0° |
| O4' | P | O3P | H3P | 133.7° | 60.0° |
| O1P | P | O2P | O3P | 116.6° | 123.4° |
| O1P | P | O2P | H2P | 0.0° | 56.9° |
| O1P | P | O3P | H3P | 0.0° | 176.2° |
| O2P | P | O3P | H3P | 111.6° | 52.9° |
| O3P | P | O2P | H2P | 116.6° | 66.6° |
| H7 | C7 | N8 | H8 | 21.6° | 30.6° |
| H7 | C7 | C6 | H5 | 58.4° | 37.8° |
| H4'1 | C4' | C3' | H4 | 72.5° | 169.5° |
| H4'2 | C4' | C3' | H4 | 168.6° | 72.3° |
| H3 | N5 | C6 | H5 | 156.5° | 93.0° |
