1X9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.35Å | 1.33Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| O1' | C1' | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.47Å | |
| C1' | C2' | sing | 1.51Å | 1.51Å | |
| C1' | C3 | sing | 1.51Å | 1.53Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C3' | C4' | sing | 1.51Å | 1.48Å | |
| C4' | C5' | doub | 1.31Å | 1.30Å | |
| C5' | C6' | sing | 1.51Å | 1.49Å | |
| C8' | C9' | sing | 1.51Å | 1.50Å | |
| C8' | C7' | doub | 1.31Å | 1.31Å | |
| C6' | C7' | sing | 1.51Å | 1.50Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C3' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.08Å | 1.08Å | |
| C5' | H10 | sing | 1.08Å | 1.08Å | |
| C6' | H11 | sing | 1.09Å | 1.10Å | |
| C6' | H12 | sing | 1.09Å | 1.10Å | |
| C7' | H13 | sing | 1.08Å | 1.08Å | |
| C8' | H14 | sing | 1.08Å | 1.08Å | |
| C9' | H15 | sing | 1.09Å | 1.10Å | |
| C9' | H16 | sing | 1.09Å | 1.10Å | |
| C9' | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C2 | 117.3° | 120.0° |
| N | C1 | O1 | 124.1° | 120.0° |
| C1 | N | H1 | 120.0° | 120.0° |
| C1 | N | H2 | 120.0° | 120.1° |
| C2 | O2 | C3 | 61.5° | 64.8° |
| O2 | C2 | C1 | 119.0° | 117.7° |
| O2 | C2 | C3 | 60.4° | 57.6° |
| O2 | C2 | H3 | 115.5° | 117.9° |
| O2 | C3 | C2 | 58.0° | 57.6° |
| O2 | C3 | C1' | 108.0° | 117.8° |
| O2 | C3 | H4 | 114.1° | 117.7° |
| C2 | C1 | O1 | 118.6° | 120.0° |
| C1 | C2 | C3 | 123.6° | 117.7° |
| C1 | C2 | H3 | 113.7° | 115.7° |
| O1' | C1' | C2' | 121.3° | 120.0° |
| O1' | C1' | C3 | 127.7° | 120.0° |
| C2 | C3 | C1' | 132.6° | 117.8° |
| C3 | C2 | H3 | 114.5° | 117.8° |
| C2 | C3 | H4 | 113.8° | 117.7° |
| C2' | C1' | C3 | 110.7° | 120.0° |
| C1' | C2' | C3' | 110.0° | 109.5° |
| C1' | C2' | H5 | 109.4° | 109.5° |
| C1' | C2' | H6 | 109.4° | 109.5° |
| C1' | C3 | H4 | 112.9° | 115.8° |
| C2' | C3' | C4' | 110.9° | 109.5° |
| C3' | C2' | H5 | 109.3° | 109.5° |
| C3' | C2' | H6 | 109.4° | 109.5° |
| C2' | C3' | H7 | 109.1° | 109.5° |
| C2' | C3' | H8 | 109.1° | 109.4° |
| C3' | C4' | C5' | 124.5° | 120.1° |
| C4' | C3' | H7 | 109.1° | 109.5° |
| C4' | C3' | H8 | 109.1° | 109.5° |
| C3' | C4' | H9 | 117.8° | 120.0° |
| C4' | C5' | C6' | 128.3° | 120.1° |
| C5' | C4' | H9 | 117.8° | 120.0° |
| C4' | C5' | H10 | 115.9° | 120.0° |
| C5' | C6' | C7' | 107.3° | 109.5° |
| C6' | C5' | H10 | 115.9° | 120.0° |
| C5' | C6' | H11 | 110.0° | 109.4° |
| C5' | C6' | H12 | 110.0° | 109.4° |
| C9' | C8' | C7' | 126.8° | 120.0° |
| C9' | C8' | H14 | 116.6° | 120.0° |
| C8' | C9' | H15 | 109.5° | 109.4° |
| C8' | C9' | H16 | 109.5° | 109.5° |
| C8' | C9' | H17 | 109.5° | 109.4° |
| C8' | C7' | C6' | 120.4° | 120.0° |
| C8' | C7' | H13 | 119.8° | 120.0° |
| C7' | C8' | H14 | 116.6° | 120.1° |
| C7' | C6' | H11 | 110.0° | 109.5° |
| C7' | C6' | H12 | 110.0° | 109.5° |
| C6' | C7' | H13 | 119.8° | 120.0° |
| H1 | N | H2 | 120.0° | 120.0° |
| H5 | C2' | H6 | 109.5° | 109.4° |
| H7 | C3' | H8 | 109.5° | 109.5° |
| H11 | C6' | H12 | 109.5° | 109.4° |
| H15 | C9' | H16 | 109.4° | 109.5° |
| H15 | C9' | H17 | 109.5° | 109.5° |
| H16 | C9' | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | O2 | 3.4° | 47.3° |
| N | C1 | C2 | O1 | 178.8° | 179.6° |
| N | C1 | C2 | C3 | 75.4° | 113.3° |
| C1 | N | H1 | H2 | 180.0° | 179.9° |
| N | C1 | C2 | H3 | 137.9° | 99.7° |
| O2 | C2 | C1 | C3 | 72.0° | 66.0° |
| O2 | C2 | C1 | H3 | 141.3° | 147.0° |
| O2 | C2 | C1 | O1 | 175.4° | 133.1° |
| O2 | C2 | C3 | H3 | 106.5° | 106.9° |
| O2 | C2 | C3 | C1' | 85.5° | 106.8° |
| C2 | O2 | C3 | H4 | 104.1° | 106.7° |
| O2 | C3 | C1' | O1' | 86.0° | 33.1° |
| O2 | C3 | C1' | C2' | 88.4° | 147.0° |
| O2 | C3 | C1' | H4 | 127.2° | 147.1° |
| C1 | C2 | C3 | H3 | 146.4° | 146.3° |
| C1 | C2 | C3 | C1' | 21.5° | 0.0° |
| C2 | C1 | N | H1 | 178.8° | 5.1° |
| C2 | C1 | N | H2 | 1.2° | 175.0° |
| C1 | C2 | C3 | H4 | 148.5° | 146.4° |
| O1 | C1 | C2 | C3 | 103.4° | 67.1° |
| O1 | C1 | N | H1 | 0.0° | 175.3° |
| O1 | C1 | N | H2 | 180.0° | 4.6° |
| O1 | C1 | C2 | H3 | 43.2° | 79.9° |
| O1' | C1' | C3 | C2 | 23.2° | 99.1° |
| O1' | C1' | C2' | C3 | 174.8° | 179.9° |
| O1' | C1' | C2' | C3' | 27.8° | 5.0° |
| O1' | C1' | C3 | H4 | 146.9° | 114.0° |
| O1' | C1' | C2' | H5 | 92.3° | 115.0° |
| O1' | C1' | C2' | H6 | 147.8° | 125.0° |
| C2 | C3 | C1' | C2' | 151.2° | 81.0° |
| C2 | C3 | C1' | H4 | 170.1° | 146.9° |
| C1' | C2' | C3' | H5 | 120.1° | 120.1° |
| C1' | C2' | C3' | H6 | 120.1° | 120.0° |
| C1' | C2' | C3' | C4' | 91.5° | 180.0° |
| C2' | C1' | C3 | H4 | 38.8° | 66.0° |
| C1' | C2' | H5 | H6 | 119.8° | 120.0° |
| C1' | C2' | C3' | H7 | 28.7° | 59.9° |
| C1' | C2' | C3' | H8 | 148.3° | 60.0° |
| C3 | C1' | C2' | C3' | 157.5° | 175.1° |
| C1' | C3 | C2 | H3 | 168.0° | 146.2° |
| C3 | C1' | C2' | H5 | 82.5° | 64.9° |
| C3 | C1' | C2' | H6 | 37.4° | 55.1° |
| C2' | C3' | C4' | H7 | 120.2° | 120.0° |
| C2' | C3' | C4' | H8 | 120.2° | 120.0° |
| C2' | C3' | C4' | C5' | 109.5° | 125.0° |
| C3' | C2' | H5 | H6 | 119.8° | 119.9° |
| C2' | C3' | H7 | H8 | 119.3° | 119.9° |
| C2' | C3' | C4' | H9 | 70.5° | 55.0° |
| C3' | C4' | C5' | H9 | 180.0° | 179.9° |
| C3' | C4' | C5' | C6' | 179.4° | 180.0° |
| C4' | C3' | C2' | H5 | 148.4° | 60.0° |
| C4' | C3' | C2' | H6 | 28.6° | 60.0° |
| C4' | C3' | H7 | H8 | 119.3° | 120.1° |
| C3' | C4' | C5' | H10 | 0.6° | 0.0° |
| C4' | C5' | C6' | H10 | 180.0° | 180.0° |
| C4' | C5' | C6' | C7' | 140.9° | 125.0° |
| C5' | C4' | C3' | H7 | 130.3° | 5.0° |
| C5' | C4' | C3' | H8 | 10.7° | 115.0° |
| C4' | C5' | C6' | H11 | 21.2° | 115.0° |
| C4' | C5' | C6' | H12 | 99.5° | 4.9° |
| C5' | C6' | C7' | C8' | 20.8° | 125.0° |
| C5' | C6' | C7' | H11 | 119.7° | 120.0° |
| C5' | C6' | C7' | H12 | 119.7° | 120.0° |
| C6' | C5' | C4' | H9 | 0.6° | 0.1° |
| C5' | C6' | H11 | H12 | 121.0° | 119.9° |
| C5' | C6' | C7' | H13 | 159.2° | 55.0° |
| C9' | C8' | C7' | H14 | 180.0° | 180.0° |
| C9' | C8' | C7' | C6' | 179.4° | 180.0° |
| C9' | C8' | C7' | H13 | 0.6° | 0.0° |
| C8' | C9' | H15 | H16 | 120.0° | 120.0° |
| C8' | C9' | H15 | H17 | 120.0° | 120.0° |
| C8' | C9' | H16 | H17 | 120.0° | 120.0° |
| C8' | C7' | C6' | H13 | 180.0° | 179.9° |
| C8' | C7' | C6' | H11 | 140.5° | 5.0° |
| C8' | C7' | C6' | H12 | 98.9° | 115.0° |
| C7' | C8' | C9' | H15 | 180.0° | 180.0° |
| C7' | C8' | C9' | H16 | 60.0° | 60.0° |
| C7' | C8' | C9' | H17 | 60.0° | 60.0° |
| C7' | C6' | C5' | H10 | 39.1° | 55.0° |
| C7' | C6' | H11 | H12 | 121.0° | 120.1° |
| C6' | C7' | C8' | H14 | 0.5° | 0.0° |
| H3 | C2 | C3 | H4 | 2.0° | 0.1° |
| H5 | C2' | C3' | H7 | 91.3° | 180.0° |
| H5 | C2' | C3' | H8 | 28.2° | 60.0° |
| H6 | C2' | C3' | H7 | 148.8° | 60.1° |
| H6 | C2' | C3' | H8 | 91.6° | 180.0° |
| H7 | C3' | C4' | H9 | 49.7° | 175.0° |
| H8 | C3' | C4' | H9 | 169.3° | 64.9° |
| H9 | C4' | C5' | H10 | 179.4° | 180.0° |
| H10 | C5' | C6' | H11 | 158.8° | 65.0° |
| H10 | C5' | C6' | H12 | 80.5° | 175.0° |
| H11 | C6' | C7' | H13 | 39.5° | 175.0° |
| H12 | C6' | C7' | H13 | 81.1° | 65.0° |
| H13 | C7' | C8' | H14 | 179.5° | 180.0° |
| H14 | C8' | C9' | H15 | 0.0° | 0.0° |
| H14 | C8' | C9' | H16 | 120.0° | 120.0° |
| H14 | C8' | C9' | H17 | 120.0° | 120.0° |
| H15 | C9' | H16 | H17 | 120.0° | 120.1° |
