RWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N8 | sing | 1.42Å | 1.42Å | |
| O15 | C12 | doub | 1.21Å | 1.26Å | |
| O16 | C12 | sing | 1.34Å | 1.27Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| N8 | C7 | sing | 1.35Å | 1.32Å | |
| O7 | C7 | doub | 1.22Å | 1.25Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| C11 | C9 | sing | 1.53Å | 1.50Å | |
| N2 | C2 | sing | 1.47Å | 1.46Å | |
| C9 | O1 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.51Å | 1.56Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C10 | O13 | doub | 1.21Å | 1.28Å | |
| C10 | O14 | sing | 1.34Å | 1.28Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| O6 | C6 | sing | 1.43Å | 1.46Å | |
| N8 | H1A | sing | 0.97Å | 1.00Å | |
| O2 | H2A | sing | 0.97Å | 0.95Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| O16 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N8 | C7 | 116.0° | 120.0° |
| O2 | N8 | H1A | 122.0° | 119.9° |
| N8 | O2 | H2A | 109.5° | 114.1° |
| O15 | C12 | O16 | 124.4° | 120.0° |
| O15 | C12 | C11 | 118.0° | 120.0° |
| O16 | C12 | C11 | 117.5° | 120.0° |
| C12 | O16 | H18 | 109.5° | 117.0° |
| C12 | C11 | C9 | 112.0° | 109.5° |
| C12 | C11 | H16 | 108.8° | 109.5° |
| C12 | C11 | H17 | 108.8° | 109.5° |
| N8 | C7 | O7 | 117.5° | 120.0° |
| N8 | C7 | N2 | 117.6° | 120.0° |
| C7 | N8 | H1A | 122.0° | 120.0° |
| O7 | C7 | N2 | 124.7° | 120.0° |
| C7 | N2 | C2 | 121.5° | 120.0° |
| C7 | N2 | HN21 | 119.3° | 120.0° |
| C11 | C9 | O1 | 109.0° | 109.5° |
| C11 | C9 | C10 | 109.8° | 109.5° |
| C11 | C9 | H14 | 109.2° | 109.5° |
| C9 | C11 | H16 | 108.8° | 109.5° |
| C9 | C11 | H17 | 108.8° | 109.4° |
| N2 | C2 | C1 | 114.6° | 109.5° |
| N2 | C2 | C3 | 107.5° | 109.5° |
| C2 | N2 | HN21 | 119.2° | 120.0° |
| N2 | C2 | H2 | 108.4° | 109.5° |
| O1 | C9 | C10 | 110.1° | 109.5° |
| C9 | O1 | C1 | 114.6° | 114.0° |
| O1 | C9 | H14 | 110.3° | 109.4° |
| C9 | C10 | O13 | 116.7° | 120.0° |
| C9 | C10 | O14 | 118.0° | 120.0° |
| C10 | C9 | H14 | 108.5° | 109.5° |
| O1 | C1 | C2 | 106.1° | 109.5° |
| O1 | C1 | O5 | 111.1° | 109.5° |
| O1 | C1 | H1 | 110.2° | 109.5° |
| C2 | C1 | O5 | 109.0° | 109.4° |
| C1 | C2 | C3 | 110.7° | 109.2° |
| C1 | C2 | H2 | 107.8° | 109.6° |
| C2 | C1 | H1 | 109.7° | 109.5° |
| C1 | O5 | C5 | 115.2° | 114.1° |
| O5 | C1 | H1 | 110.7° | 109.5° |
| C2 | C3 | O3 | 108.8° | 109.5° |
| C2 | C3 | C4 | 105.7° | 109.1° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | H3 | 110.3° | 109.5° |
| O5 | C5 | C4 | 111.0° | 109.4° |
| O5 | C5 | C6 | 103.4° | 109.5° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| O13 | C10 | O14 | 125.1° | 120.0° |
| C10 | O14 | H15 | 109.5° | 117.0° |
| O3 | C3 | C4 | 109.3° | 109.5° |
| O3 | C3 | H3 | 111.8° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C5 | 112.7° | 109.1° |
| C3 | C4 | O4 | 110.9° | 109.5° |
| C4 | C3 | H3 | 110.8° | 109.7° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| C4 | C5 | C6 | 116.2° | 109.5° |
| C5 | C4 | O4 | 109.3° | 109.5° |
| C5 | C4 | H4 | 107.4° | 109.6° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C5 | C6 | O6 | 110.9° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| O4 | C4 | H4 | 108.4° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N8 | C7 | H1A | 180.0° | 180.0° |
| O2 | N8 | C7 | O7 | 1.2° | 0.1° |
| O2 | N8 | C7 | N2 | 176.0° | 179.7° |
| O15 | C12 | O16 | C11 | 178.2° | 180.0° |
| O15 | C12 | C11 | C9 | 108.8° | 0.0° |
| O15 | C12 | C11 | H16 | 130.8° | 120.0° |
| O15 | C12 | C11 | H17 | 11.6° | 120.0° |
| O15 | C12 | O16 | H18 | 0.0° | 0.0° |
| O16 | C12 | C11 | C9 | 72.9° | 180.0° |
| O16 | C12 | C11 | H16 | 47.5° | 60.0° |
| O16 | C12 | C11 | H17 | 166.7° | 60.0° |
| C12 | C11 | C9 | H16 | 120.4° | 120.0° |
| C12 | C11 | C9 | H17 | 120.4° | 120.0° |
| C12 | C11 | C9 | O1 | 74.2° | 65.0° |
| C12 | C11 | C9 | C10 | 165.2° | 175.0° |
| C12 | C11 | C9 | H14 | 46.4° | 55.0° |
| C12 | C11 | H16 | H17 | 118.8° | 120.0° |
| C11 | C12 | O16 | H18 | 178.2° | 180.0° |
| N8 | C7 | O7 | N2 | 174.4° | 179.7° |
| N8 | C7 | N2 | C2 | 175.8° | 179.7° |
| C7 | N8 | O2 | H2A | 0.6° | 180.0° |
| N8 | C7 | N2 | HN21 | 4.2° | 0.3° |
| O7 | C7 | N2 | C2 | 9.9° | 0.0° |
| O7 | C7 | N8 | H1A | 178.7° | 180.0° |
| O7 | C7 | N2 | HN21 | 170.2° | 180.0° |
| C7 | N2 | C2 | HN21 | 180.0° | 180.0° |
| C7 | N2 | C2 | C1 | 104.4° | 85.3° |
| C7 | N2 | C2 | C3 | 132.0° | 155.0° |
| N2 | C7 | N8 | H1A | 4.0° | 0.3° |
| C7 | N2 | C2 | H2 | 16.1° | 34.9° |
| C11 | C9 | O1 | C10 | 120.5° | 120.0° |
| C11 | C9 | O1 | H14 | 119.9° | 120.0° |
| C11 | C9 | C10 | H14 | 119.3° | 120.0° |
| C11 | C9 | O1 | C1 | 100.4° | 125.1° |
| C11 | C9 | C10 | O13 | 67.0° | 112.3° |
| C11 | C9 | C10 | O14 | 118.0° | 67.6° |
| C9 | C11 | H16 | H17 | 118.8° | 120.0° |
| N2 | C2 | C1 | O1 | 64.0° | 57.5° |
| N2 | C2 | C1 | C3 | 121.9° | 119.9° |
| N2 | C2 | C1 | H2 | 120.9° | 120.1° |
| N2 | C2 | C1 | O5 | 176.3° | 177.5° |
| N2 | C2 | C3 | H2 | 116.5° | 120.1° |
| N2 | C2 | C3 | O3 | 55.5° | 63.2° |
| N2 | C2 | C3 | C4 | 172.7° | 176.9° |
| N2 | C2 | C3 | H3 | 67.4° | 56.9° |
| N2 | C2 | C1 | H1 | 55.0° | 62.5° |
| O1 | C9 | C10 | H14 | 120.8° | 120.0° |
| C9 | O1 | C1 | C2 | 177.1° | 166.7° |
| C9 | O1 | C1 | O5 | 58.8° | 73.4° |
| O1 | C9 | C10 | O13 | 173.0° | 7.7° |
| O1 | C9 | C10 | O14 | 2.0° | 172.4° |
| C9 | O1 | C1 | H1 | 64.2° | 46.6° |
| O1 | C9 | C11 | H16 | 165.4° | 55.0° |
| O1 | C9 | C11 | H17 | 46.2° | 175.0° |
| C10 | C9 | O1 | C1 | 139.2° | 114.9° |
| C9 | C10 | O13 | O14 | 174.6° | 180.0° |
| C9 | C10 | O14 | H15 | 174.5° | 180.0° |
| C10 | C9 | C11 | H16 | 44.8° | 65.0° |
| C10 | C9 | C11 | H17 | 74.4° | 55.0° |
| O1 | C1 | C2 | O5 | 119.7° | 120.0° |
| O1 | C1 | C2 | H1 | 119.0° | 120.0° |
| O1 | C1 | O5 | H1 | 122.8° | 120.0° |
| O1 | C1 | C2 | C3 | 57.9° | 62.4° |
| O1 | C1 | O5 | C5 | 59.4° | 58.8° |
| O1 | C1 | C2 | H2 | 175.2° | 177.7° |
| C1 | O1 | C9 | H14 | 19.5° | 5.2° |
| C2 | C1 | O5 | H1 | 120.7° | 120.0° |
| C1 | C2 | C3 | H2 | 117.5° | 120.0° |
| C2 | C1 | O5 | C5 | 57.1° | 61.1° |
| C1 | C2 | C3 | O3 | 178.6° | 176.9° |
| C1 | C2 | C3 | C4 | 61.3° | 57.0° |
| C1 | C2 | N2 | HN21 | 75.6° | 94.7° |
| C1 | C2 | C3 | H3 | 58.5° | 63.0° |
| O5 | C1 | C2 | C3 | 61.8° | 57.6° |
| C1 | O5 | C5 | C4 | 51.6° | 61.2° |
| C1 | O5 | C5 | C6 | 176.8° | 178.9° |
| O5 | C1 | C2 | H2 | 55.5° | 62.4° |
| C1 | O5 | C5 | H5 | 67.6° | 58.8° |
| C2 | C3 | O3 | C4 | 114.9° | 119.6° |
| C2 | C3 | O3 | H3 | 122.1° | 120.1° |
| C2 | C3 | C4 | H3 | 119.5° | 120.0° |
| C2 | C3 | C4 | C5 | 55.7° | 57.0° |
| C2 | C3 | C4 | O4 | 178.6° | 176.9° |
| C3 | C2 | N2 | HN21 | 48.0° | 25.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 62.7° | 63.0° |
| C3 | C2 | C1 | H1 | 176.9° | 177.6° |
| O5 | C5 | C4 | C3 | 51.8° | 57.6° |
| O5 | C5 | C4 | C6 | 117.6° | 119.9° |
| O5 | C5 | C4 | H5 | 120.1° | 120.0° |
| O5 | C5 | C6 | H5 | 116.3° | 120.1° |
| O5 | C5 | C4 | O4 | 175.6° | 177.5° |
| O5 | C5 | C6 | O6 | 68.0° | 65.1° |
| O5 | C5 | C4 | H4 | 66.9° | 62.3° |
| O5 | C5 | C6 | H61 | 52.2° | 174.9° |
| O5 | C5 | C6 | H62 | 171.8° | 55.0° |
| C5 | O5 | C1 | H1 | 177.8° | 178.8° |
| O13 | C10 | C9 | H14 | 52.2° | 127.7° |
| O13 | C10 | O14 | H15 | 0.0° | 0.1° |
| O14 | C10 | C9 | H14 | 122.7° | 52.4° |
| O3 | C3 | C4 | H3 | 123.6° | 120.2° |
| O3 | C3 | C4 | C5 | 172.6° | 176.9° |
| O3 | C3 | C4 | O4 | 64.5° | 63.3° |
| O3 | C3 | C2 | H2 | 61.0° | 56.9° |
| O3 | C3 | C4 | H4 | 54.2° | 56.9° |
| C3 | C4 | C5 | O4 | 123.8° | 119.9° |
| C3 | C4 | C5 | H4 | 118.8° | 119.9° |
| C3 | C4 | C5 | C6 | 169.5° | 177.6° |
| C3 | C4 | O4 | H4 | 118.4° | 120.1° |
| C4 | C3 | C2 | H2 | 56.2° | 63.0° |
| C4 | C3 | O3 | HO3 | 65.1° | 60.4° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 68.3° | 62.4° |
| C4 | C5 | C6 | H5 | 122.0° | 120.0° |
| C5 | C4 | O4 | H4 | 116.8° | 120.2° |
| C4 | C5 | C6 | O6 | 53.8° | 175.0° |
| C5 | C4 | C3 | H3 | 63.8° | 63.0° |
| C5 | C4 | O4 | HO4 | 55.2° | 60.3° |
| C4 | C5 | C6 | H61 | 174.0° | 55.0° |
| C4 | C5 | C6 | H62 | 66.4° | 64.9° |
| C6 | C5 | C4 | O4 | 66.7° | 62.6° |
| C5 | C6 | O6 | H61 | 120.2° | 120.0° |
| C5 | C6 | O6 | H62 | 120.2° | 120.0° |
| C6 | C5 | C4 | H4 | 50.7° | 57.6° |
| C5 | C6 | H61 | H62 | 119.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O4 | C4 | C3 | H3 | 59.0° | 56.9° |
| O4 | C4 | C5 | H5 | 55.5° | 57.5° |
| O6 | C6 | C5 | H5 | 175.7° | 55.0° |
| O6 | C6 | H61 | H62 | 119.3° | 120.0° |
| H1A | N8 | O2 | H2A | 179.4° | 0.0° |
| HN21 | N2 | C2 | H2 | 163.9° | 145.1° |
| H2 | C2 | C3 | H3 | 176.0° | 177.0° |
| H2 | C2 | C1 | H1 | 65.8° | 57.6° |
| H3 | C3 | O3 | HO3 | 57.9° | 59.9° |
| H3 | C3 | C4 | H4 | 177.7° | 177.1° |
| H4 | C4 | O4 | HO4 | 61.6° | 59.9° |
| H4 | C4 | C5 | H5 | 172.9° | 177.7° |
| H5 | C5 | C6 | H61 | 64.0° | 65.0° |
| H5 | C5 | C6 | H62 | 55.5° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H14 | C9 | C11 | H16 | 74.0° | 175.0° |
| H14 | C9 | C11 | H17 | 166.8° | 65.0° |
