RDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C15 | sing | 1.43Å | 1.42Å | |
| O15 | H15O | sing | 0.97Å | 0.95Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C14 | O14 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| O14 | H14O | sing | 0.97Å | 0.95Å | |
| C13 | O13 | sing | 1.43Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| O13 | H13O | sing | 0.97Å | 0.95Å | |
| C12 | O12 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| O12 | H12O | sing | 0.97Å | 0.95Å | |
| C11 | N9 | sing | 1.46Å | 1.45Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| N9 | C10 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | O8 | doub | 1.22Å | 1.25Å | |
| C8 | C7 | sing | 1.49Å | 1.48Å | Aromatic |
| C7 | O7 | doub | 1.21Å | 1.26Å | |
| C7 | N6 | sing | 1.35Å | 1.33Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C10 | N1 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | N6 | sing | 1.39Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.44Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.26Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C2 | N1 | sing | 1.34Å | 1.32Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O15 | H15O | 110.3° | 106.9° |
| O15 | C15 | C14 | 110.2° | 109.5° |
| O15 | C15 | H151 | 111.9° | 109.4° |
| O15 | C15 | H152 | 111.9° | 109.5° |
| C14 | C15 | H151 | 112.0° | 109.5° |
| C14 | C15 | H152 | 112.0° | 109.5° |
| C15 | C14 | O14 | 109.8° | 109.5° |
| C15 | C14 | C13 | 111.8° | 109.6° |
| C15 | C14 | H141 | 107.1° | 109.5° |
| H151 | C15 | H152 | 98.4° | 109.5° |
| O14 | C14 | C13 | 107.9° | 109.5° |
| O14 | C14 | H141 | 111.1° | 109.5° |
| C14 | O14 | H14O | 109.9° | 106.8° |
| C13 | C14 | H141 | 109.1° | 109.4° |
| C14 | C13 | O13 | 108.6° | 109.5° |
| C14 | C13 | C12 | 113.7° | 109.5° |
| C14 | C13 | H131 | 107.7° | 109.4° |
| O13 | C13 | C12 | 110.9° | 109.5° |
| O13 | C13 | H131 | 110.7° | 109.4° |
| C13 | O13 | H13O | 108.6° | 106.8° |
| C12 | C13 | H131 | 105.3° | 109.5° |
| C13 | C12 | O12 | 112.0° | 109.4° |
| C13 | C12 | C11 | 111.3° | 109.5° |
| C13 | C12 | H121 | 105.1° | 109.5° |
| O12 | C12 | C11 | 105.1° | 109.5° |
| O12 | C12 | H121 | 111.3° | 109.5° |
| C12 | O12 | H12O | 112.0° | 106.8° |
| C11 | C12 | H121 | 112.1° | 109.4° |
| C12 | C11 | N9 | 118.5° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.4° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| N9 | C11 | H111 | 109.0° | 109.5° |
| N9 | C11 | H112 | 109.0° | 109.5° |
| C11 | N9 | C8 | 117.9° | 119.9° |
| C11 | N9 | C10 | 119.8° | 119.8° |
| H111 | C11 | H112 | 101.1° | 109.5° |
| C8 | N9 | C10 | 122.0° | 120.3° |
| N9 | C8 | O8 | 121.0° | 120.4° |
| N9 | C8 | C7 | 119.7° | 119.2° |
| N9 | C10 | C5 | 118.1° | 121.0° |
| N9 | C10 | N1 | 123.1° | 119.9° |
| O8 | C8 | C7 | 119.3° | 120.4° |
| C8 | C7 | O7 | 118.9° | 120.6° |
| C8 | C7 | N6 | 119.1° | 118.9° |
| O7 | C7 | N6 | 122.0° | 120.5° |
| C7 | N6 | C5 | 119.9° | 119.7° |
| C7 | N6 | HN6 | 119.2° | 120.2° |
| C5 | C10 | N1 | 118.8° | 119.1° |
| C10 | C5 | N6 | 121.1° | 120.9° |
| C10 | C5 | C4 | 117.3° | 119.1° |
| C10 | N1 | C2 | 122.1° | 120.4° |
| C10 | N1 | HN1 | 120.0° | 119.8° |
| N6 | C5 | C4 | 121.6° | 120.1° |
| C5 | N6 | HN6 | 120.9° | 120.1° |
| C5 | C4 | O4 | 119.7° | 120.4° |
| C5 | C4 | N3 | 118.4° | 119.3° |
| O4 | C4 | N3 | 121.9° | 120.3° |
| C4 | N3 | C2 | 121.8° | 120.7° |
| C4 | N3 | HN3 | 118.5° | 119.6° |
| C2 | N3 | HN3 | 119.7° | 119.6° |
| N3 | C2 | N1 | 121.6° | 121.4° |
| N3 | C2 | O2 | 118.9° | 119.3° |
| N1 | C2 | O2 | 119.6° | 119.3° |
| C2 | N1 | HN1 | 117.9° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C15 | C14 | H151 | 125.3° | 120.0° |
| O15 | C15 | C14 | H152 | 125.2° | 120.1° |
| O15 | C15 | H151 | H152 | 117.8° | 120.0° |
| O15 | C15 | C14 | O14 | 62.4° | 59.9° |
| O15 | C15 | C14 | C13 | 57.3° | 180.0° |
| O15 | C15 | C14 | H141 | 176.8° | 60.1° |
| H15O | O15 | C15 | C14 | 180.0° | 180.0° |
| H15O | O15 | C15 | H151 | 54.7° | 60.0° |
| H15O | O15 | C15 | H152 | 54.7° | 60.0° |
| C14 | C15 | H151 | H152 | 117.9° | 120.0° |
| C15 | C14 | O14 | C13 | 122.1° | 120.1° |
| C15 | C14 | O14 | H141 | 118.3° | 120.0° |
| C15 | C14 | C13 | H141 | 118.3° | 120.0° |
| C15 | C14 | O14 | H14O | 180.0° | 60.0° |
| C15 | C14 | C13 | O13 | 60.8° | 59.9° |
| C15 | C14 | C13 | C12 | 175.2° | 180.0° |
| C15 | C14 | C13 | H131 | 59.1° | 60.0° |
| H151 | C15 | C14 | O14 | 172.3° | 60.0° |
| H151 | C15 | C14 | C13 | 67.9° | 60.0° |
| H151 | C15 | C14 | H141 | 51.5° | 180.0° |
| H152 | C15 | C14 | O14 | 62.8° | 180.0° |
| H152 | C15 | C14 | C13 | 177.4° | 60.0° |
| H152 | C15 | C14 | H141 | 58.0° | 60.0° |
| O14 | C14 | C13 | H141 | 120.8° | 120.0° |
| O14 | C14 | C13 | O13 | 178.3° | 180.0° |
| O14 | C14 | C13 | C12 | 54.3° | 60.0° |
| O14 | C14 | C13 | H131 | 61.8° | 60.1° |
| C13 | C14 | O14 | H14O | 57.9° | 60.1° |
| C14 | C13 | O13 | C12 | 125.6° | 120.0° |
| C14 | C13 | O13 | H131 | 118.0° | 119.9° |
| C14 | C13 | C12 | H131 | 117.6° | 120.0° |
| C14 | C13 | O13 | H13O | 180.0° | 60.0° |
| C14 | C13 | C12 | O12 | 175.0° | 60.1° |
| C14 | C13 | C12 | C11 | 67.7° | 180.0° |
| C14 | C13 | C12 | H121 | 53.9° | 60.0° |
| H141 | C14 | O14 | H14O | 61.7° | 180.0° |
| H141 | C14 | C13 | O13 | 57.5° | 60.0° |
| H141 | C14 | C13 | C12 | 66.5° | 60.0° |
| H141 | C14 | C13 | H131 | 177.3° | 180.0° |
| O13 | C13 | C12 | H131 | 119.7° | 120.0° |
| O13 | C13 | C12 | O12 | 62.4° | 179.9° |
| O13 | C13 | C12 | C11 | 55.0° | 60.0° |
| O13 | C13 | C12 | H121 | 176.6° | 60.0° |
| C12 | C13 | O13 | H13O | 54.4° | 60.0° |
| C13 | C12 | O12 | C11 | 121.0° | 120.0° |
| C13 | C12 | O12 | H121 | 117.4° | 120.1° |
| C13 | C12 | C11 | H121 | 117.4° | 120.0° |
| C13 | C12 | O12 | H12O | 180.0° | 59.9° |
| C13 | C12 | C11 | N9 | 164.4° | 179.9° |
| C13 | C12 | C11 | H111 | 70.4° | 60.0° |
| C13 | C12 | C11 | H112 | 39.1° | 60.0° |
| H131 | C13 | O13 | H13O | 62.0° | 180.0° |
| H131 | C13 | C12 | O12 | 57.4° | 60.0° |
| H131 | C13 | C12 | C11 | 174.7° | 60.0° |
| H131 | C13 | C12 | H121 | 63.7° | 180.0° |
| O12 | C12 | C11 | H121 | 121.1° | 120.0° |
| O12 | C12 | C11 | N9 | 74.1° | 60.0° |
| O12 | C12 | C11 | H111 | 51.1° | 60.0° |
| O12 | C12 | C11 | H112 | 160.6° | 180.0° |
| C11 | C12 | O12 | H12O | 59.0° | 60.0° |
| C12 | C11 | N9 | H111 | 125.2° | 119.9° |
| C12 | C11 | N9 | H112 | 125.3° | 120.1° |
| C12 | C11 | H111 | H112 | 114.6° | 120.0° |
| C12 | C11 | N9 | C8 | 96.3° | 90.0° |
| C12 | C11 | N9 | C10 | 89.0° | 90.4° |
| H121 | C12 | O12 | H12O | 62.6° | 180.0° |
| H121 | C12 | C11 | N9 | 46.9° | 60.1° |
| H121 | C12 | C11 | H111 | 172.2° | 180.0° |
| H121 | C12 | C11 | H112 | 78.4° | 60.0° |
| N9 | C11 | H111 | H112 | 114.7° | 120.0° |
| C11 | N9 | C8 | C10 | 174.5° | 179.7° |
| C11 | N9 | C8 | O8 | 5.4° | 0.0° |
| C11 | N9 | C8 | C7 | 173.4° | 180.0° |
| C11 | N9 | C10 | C5 | 173.4° | 179.8° |
| C11 | N9 | C10 | N1 | 7.4° | 0.3° |
| H111 | C11 | N9 | C8 | 138.4° | 29.9° |
| H111 | C11 | N9 | C10 | 36.2° | 149.7° |
| H112 | C11 | N9 | C8 | 28.9° | 149.9° |
| H112 | C11 | N9 | C10 | 145.7° | 29.7° |
| N9 | C8 | O8 | C7 | 178.8° | 180.0° |
| N9 | C8 | C7 | O7 | 178.7° | 180.0° |
| N9 | C8 | C7 | N6 | 1.6° | 0.0° |
| C8 | N9 | C10 | C5 | 1.0° | 0.6° |
| C8 | N9 | C10 | N1 | 178.2° | 180.0° |
| C10 | N9 | C8 | O8 | 179.9° | 179.7° |
| C10 | N9 | C8 | C7 | 1.1° | 0.3° |
| N9 | C10 | C5 | N1 | 179.2° | 179.4° |
| N9 | C10 | C5 | N6 | 1.3° | 0.6° |
| N9 | C10 | C5 | C4 | 178.8° | 179.7° |
| N9 | C10 | N1 | C2 | 179.2° | 179.5° |
| N9 | C10 | N1 | HN1 | 0.8° | 0.6° |
| O8 | C8 | C7 | O7 | 0.1° | 0.0° |
| O8 | C8 | C7 | N6 | 179.6° | 180.0° |
| C8 | C7 | O7 | N6 | 179.8° | 180.0° |
| C8 | C7 | N6 | C5 | 1.9° | 0.0° |
| C8 | C7 | N6 | HN6 | 178.1° | 180.0° |
| O7 | C7 | N6 | C5 | 178.4° | 180.0° |
| O7 | C7 | N6 | HN6 | 1.7° | 0.0° |
| C7 | N6 | C5 | C10 | 1.8° | 0.3° |
| C7 | N6 | C5 | HN6 | 180.0° | 180.0° |
| C7 | N6 | C5 | C4 | 178.3° | 180.0° |
| C10 | C5 | N6 | C4 | 179.9° | 179.7° |
| C10 | C5 | N6 | HN6 | 178.2° | 179.8° |
| C10 | C5 | C4 | O4 | 179.4° | 179.9° |
| C10 | C5 | C4 | N3 | 0.5° | 0.6° |
| C5 | C10 | N1 | C2 | 1.7° | 0.0° |
| C5 | C10 | N1 | HN1 | 178.3° | 180.0° |
| N1 | C10 | C5 | N6 | 177.9° | 180.0° |
| N1 | C10 | C5 | C4 | 2.0° | 0.3° |
| C10 | N1 | C2 | N3 | 0.2° | 0.1° |
| C10 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C10 | N1 | C2 | O2 | 179.8° | 180.0° |
| N6 | C5 | C4 | O4 | 0.5° | 0.4° |
| N6 | C5 | C4 | N3 | 179.4° | 179.7° |
| C4 | C5 | N6 | HN6 | 1.7° | 0.0° |
| C5 | C4 | O4 | N3 | 178.8° | 179.3° |
| C5 | C4 | N3 | C2 | 1.3° | 0.7° |
| C5 | C4 | N3 | HN3 | 178.7° | 179.7° |
| O4 | C4 | N3 | C2 | 177.5° | 180.0° |
| O4 | C4 | N3 | HN3 | 2.5° | 0.4° |
| C4 | N3 | C2 | HN3 | 180.0° | 179.7° |
| C4 | N3 | C2 | N1 | 1.8° | 0.4° |
| C4 | N3 | C2 | O2 | 178.3° | 179.7° |
| N3 | C2 | N1 | O2 | 179.9° | 179.9° |
| N3 | C2 | N1 | HN1 | 179.8° | 180.0° |
| HN3 | N3 | C2 | N1 | 178.2° | 180.0° |
| HN3 | N3 | C2 | O2 | 1.7° | 0.0° |
| O2 | C2 | N1 | HN1 | 0.1° | 0.1° |
