RBH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| O5 | C5 | sing | 1.43Å | 1.45Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O6 | C6 | sing | 1.43Å | 1.40Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C4 | N4 | sing | 1.46Å | 1.46Å | |
| O4 | C8 | doub | 1.21Å | 1.24Å | |
| N4 | C8 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O8 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.36Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O8 | C9 | sing | 1.43Å | 36.85Å | |
| C9 | C10 | sing | 1.53Å | 0.00Å | |
| C10 | O9 | sing | 1.43Å | 0.00Å | |
| O9 | C11 | sing | 1.43Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | O7 | sing | 1.43Å | 0.00Å | |
| O7 | C15 | sing | 1.43Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C16 | N3 | sing | 1.46Å | 0.00Å | |
| N3 | N2 | doub | 1.12Å | 0.00Å | |
| N2 | N1 | doub | 1.12Å | 0.00Å | |
| C9 | H16 | sing | 1.09Å | 0.00Å | |
| C9 | H17 | sing | 1.09Å | 0.00Å | |
| C10 | H18 | sing | 1.09Å | 0.00Å | |
| C10 | H6 | sing | 1.09Å | 0.00Å | |
| C11 | H7 | sing | 1.09Å | 0.00Å | |
| C11 | H19 | sing | 1.09Å | 0.00Å | |
| C12 | H9 | sing | 1.09Å | 0.00Å | |
| C12 | H10 | sing | 1.09Å | 0.00Å | |
| C15 | H11 | sing | 1.09Å | 0.00Å | |
| C15 | H12 | sing | 1.09Å | 0.00Å | |
| C16 | H13 | sing | 1.09Å | 0.00Å | |
| C16 | H22 | sing | 1.09Å | 0.00Å | |
| N1 | H23 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 110.0° | 109.4° |
| C1 | O5 | C5 | 115.4° | 114.1° |
| O5 | C1 | H1 | 108.9° | 109.5° |
| O5 | C1 | O1 | 108.2° | 109.4° |
| C1 | C2 | O2 | 109.9° | 109.6° |
| C1 | C2 | C3 | 110.6° | 109.1° |
| C1 | C2 | H2 | 107.7° | 109.5° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| C2 | C1 | O1 | 111.9° | 109.5° |
| O5 | C5 | C6 | 107.0° | 109.5° |
| O5 | C5 | C4 | 109.3° | 109.4° |
| O5 | C5 | H5 | 110.5° | 109.5° |
| O2 | C2 | C3 | 112.1° | 109.5° |
| O2 | C2 | H2 | 108.8° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| C2 | C3 | C4 | 110.0° | 109.0° |
| C2 | C3 | O3 | 110.8° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.6° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| O6 | C6 | C5 | 111.0° | 109.5° |
| O6 | C6 | H62 | 109.1° | 109.4° |
| O6 | C6 | H61 | 109.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C6 | C5 | C4 | 111.2° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.4° |
| C5 | C4 | C3 | 110.5° | 109.2° |
| C5 | C4 | N4 | 111.4° | 109.6° |
| C4 | C5 | H5 | 109.3° | 109.5° |
| C5 | C4 | H4 | 106.6° | 109.5° |
| C4 | C3 | O3 | 109.1° | 109.6° |
| C3 | C4 | N4 | 113.9° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | H4 | 106.7° | 109.5° |
| O3 | C3 | H3 | 110.0° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | N4 | C8 | 122.4° | 120.0° |
| N4 | C4 | H4 | 107.4° | 109.5° |
| C4 | N4 | H8 | 118.8° | 120.0° |
| O4 | C8 | N4 | 122.4° | 120.0° |
| O4 | C8 | C7 | 118.9° | 120.0° |
| N4 | C8 | C7 | 118.7° | 120.0° |
| C8 | N4 | H8 | 118.8° | 119.9° |
| C8 | C7 | O8 | 112.1° | 109.5° |
| C8 | C7 | H15 | 108.8° | 109.4° |
| C8 | C7 | H14 | 108.8° | 109.4° |
| O8 | C7 | H15 | 108.8° | 109.5° |
| O8 | C7 | H14 | 108.8° | 109.5° |
| C7 | O8 | C9 | 64.0° | 114.0° |
| H62 | C6 | H61 | 109.5° | 109.4° |
| H15 | C7 | H14 | 109.5° | 109.5° |
| H1 | C1 | O1 | 109.8° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O8 | C9 | C10 | 90.0° | 109.5° |
| O8 | C9 | H16 | 90.0° | 109.5° |
| O8 | C9 | H17 | 90.0° | 109.4° |
| C9 | C10 | O9 | 90.0° | 109.5° |
| C10 | C9 | H16 | 90.0° | 109.5° |
| C10 | C9 | H17 | 90.0° | 109.5° |
| C9 | C10 | H18 | 90.0° | 109.5° |
| C9 | C10 | H6 | 90.0° | 109.5° |
| C10 | O9 | C11 | 90.0° | 114.0° |
| O9 | C10 | H18 | 90.0° | 109.5° |
| O9 | C10 | H6 | 90.0° | 109.5° |
| O9 | C11 | C12 | 90.0° | 109.5° |
| O9 | C11 | H7 | 90.0° | 109.5° |
| O9 | C11 | H19 | 90.0° | 109.5° |
| C11 | C12 | O7 | 90.0° | 109.5° |
| C12 | C11 | H7 | 90.0° | 109.4° |
| C12 | C11 | H19 | 90.0° | 109.4° |
| C11 | C12 | H9 | 90.0° | 109.5° |
| C11 | C12 | H10 | 90.0° | 109.5° |
| C12 | O7 | C15 | 90.0° | 114.0° |
| O7 | C12 | H9 | 90.0° | 109.4° |
| O7 | C12 | H10 | 90.0° | 109.5° |
| O7 | C15 | C16 | 90.0° | 109.5° |
| O7 | C15 | H11 | 90.0° | 109.4° |
| O7 | C15 | H12 | 90.0° | 109.4° |
| C15 | C16 | N3 | 90.0° | 109.5° |
| C16 | C15 | H11 | 90.0° | 109.5° |
| C16 | C15 | H12 | 90.0° | 109.5° |
| C15 | C16 | H13 | 90.0° | 109.5° |
| C15 | C16 | H22 | 90.0° | 109.5° |
| C16 | N3 | N2 | 90.0° | 120.0° |
| N3 | C16 | H13 | 90.0° | 109.5° |
| N3 | C16 | H22 | 90.0° | 109.4° |
| N3 | N2 | N1 | 90.0° | 179.9° |
| N2 | N1 | H23 | 90.0° | 120.0° |
| H16 | C9 | H17 | 90.0° | 109.5° |
| H18 | C10 | H6 | 90.0° | 109.4° |
| H7 | C11 | H19 | 90.0° | 109.5° |
| H9 | C12 | H10 | 90.0° | 109.4° |
| H11 | C15 | H12 | 90.0° | 109.5° |
| H13 | C16 | H22 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | C2 | H1 | 118.8° | 120.0° |
| O5 | C1 | C2 | O1 | 120.3° | 119.9° |
| O5 | C1 | C2 | O2 | 179.4° | 177.5° |
| O5 | C1 | C2 | C3 | 56.2° | 57.6° |
| C1 | O5 | C5 | C6 | 178.6° | 178.8° |
| C1 | O5 | C5 | C4 | 58.1° | 61.2° |
| O5 | C1 | C2 | H2 | 61.0° | 62.2° |
| C1 | O5 | C5 | H5 | 62.3° | 58.8° |
| O5 | C1 | H1 | O1 | 118.3° | 120.0° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | O5 | C5 | 59.5° | 61.2° |
| C1 | C2 | O2 | C3 | 123.5° | 119.7° |
| C1 | C2 | O2 | H2 | 117.8° | 120.2° |
| C1 | C2 | C3 | H2 | 117.4° | 119.9° |
| C1 | C2 | C3 | C4 | 55.1° | 57.0° |
| C1 | C2 | C3 | O3 | 175.7° | 176.9° |
| C1 | C2 | C3 | H3 | 63.5° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| C2 | C1 | H1 | O1 | 122.2° | 120.0° |
| C2 | C1 | O1 | HO1 | 58.6° | 179.9° |
| O5 | C5 | C6 | O6 | 85.1° | 65.0° |
| O5 | C5 | C6 | C4 | 119.2° | 119.9° |
| O5 | C5 | C6 | H5 | 119.8° | 120.1° |
| O5 | C5 | C4 | H5 | 121.1° | 120.0° |
| O5 | C5 | C4 | C3 | 53.9° | 57.6° |
| O5 | C5 | C4 | N4 | 178.5° | 177.5° |
| O5 | C5 | C6 | H62 | 35.1° | 55.0° |
| O5 | C5 | C6 | H61 | 154.7° | 175.0° |
| O5 | C5 | C4 | H4 | 61.7° | 62.3° |
| C5 | O5 | C1 | H1 | 58.6° | 58.8° |
| C5 | O5 | C1 | O1 | 178.0° | 178.9° |
| O2 | C2 | C3 | H2 | 119.5° | 120.2° |
| O2 | C2 | C3 | C4 | 178.2° | 176.9° |
| O2 | C2 | C3 | O3 | 61.2° | 63.2° |
| O2 | C2 | C3 | H3 | 59.6° | 57.0° |
| O2 | C2 | C1 | H1 | 61.8° | 57.5° |
| O2 | C2 | C1 | O1 | 59.1° | 62.6° |
| C2 | C3 | C4 | C5 | 54.0° | 57.0° |
| C2 | C3 | C4 | O3 | 121.7° | 119.9° |
| C2 | C3 | C4 | H3 | 118.5° | 119.9° |
| C2 | C3 | O3 | H3 | 119.9° | 120.3° |
| C2 | C3 | C4 | N4 | 179.7° | 176.9° |
| C3 | C2 | O2 | HO2 | 56.5° | 180.0° |
| C2 | C3 | C4 | H4 | 61.4° | 63.0° |
| C3 | C2 | C1 | H1 | 62.6° | 62.4° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.5° |
| C3 | C2 | C1 | O1 | 176.5° | 177.5° |
| O6 | C6 | C5 | H62 | 120.2° | 120.0° |
| O6 | C6 | C5 | H61 | 120.2° | 120.1° |
| O6 | C6 | C5 | C4 | 155.6° | 175.1° |
| O6 | C6 | H62 | H61 | 119.3° | 120.0° |
| O6 | C6 | C5 | H5 | 34.7° | 55.1° |
| C6 | C5 | C4 | H5 | 121.1° | 120.0° |
| C6 | C5 | C4 | C3 | 171.7° | 177.6° |
| C6 | C5 | C4 | N4 | 60.7° | 62.5° |
| C5 | C6 | H62 | H61 | 119.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 56.2° | 57.7° |
| C5 | C4 | C3 | N4 | 126.3° | 119.9° |
| C5 | C4 | C3 | H4 | 115.5° | 119.9° |
| C5 | C4 | C3 | O3 | 175.7° | 176.8° |
| C5 | C4 | N4 | H4 | 116.4° | 120.2° |
| C5 | C4 | N4 | C8 | 124.4° | 155.3° |
| C5 | C4 | C3 | H3 | 64.5° | 63.0° |
| C4 | C5 | C6 | H62 | 84.1° | 64.9° |
| C4 | C5 | C6 | H61 | 35.4° | 55.0° |
| C5 | C4 | N4 | H8 | 55.6° | 24.7° |
| C4 | C3 | O3 | H3 | 118.9° | 120.1° |
| C3 | C4 | N4 | H4 | 117.9° | 120.1° |
| C3 | C4 | N4 | C8 | 109.8° | 85.0° |
| C4 | C3 | C2 | H2 | 62.3° | 62.9° |
| C3 | C4 | C5 | H5 | 67.2° | 62.4° |
| C3 | C4 | N4 | H8 | 70.2° | 95.1° |
| C4 | C3 | O3 | HO3 | 58.8° | 180.0° |
| O3 | C3 | C4 | N4 | 58.0° | 63.2° |
| O3 | C3 | C2 | H2 | 58.3° | 57.0° |
| O3 | C3 | C4 | H4 | 60.2° | 56.9° |
| C4 | N4 | C8 | O4 | 3.8° | 0.0° |
| C4 | N4 | C8 | H8 | 180.0° | 180.0° |
| C4 | N4 | C8 | C7 | 175.5° | 180.0° |
| N4 | C4 | C3 | H3 | 61.8° | 57.0° |
| N4 | C4 | C5 | H5 | 60.4° | 57.5° |
| O4 | C8 | N4 | C7 | 179.3° | 180.0° |
| O4 | C8 | C7 | O8 | 174.7° | 0.0° |
| O4 | C8 | C7 | H15 | 54.3° | 120.0° |
| O4 | C8 | C7 | H14 | 64.9° | 120.0° |
| O4 | C8 | N4 | H8 | 176.1° | 180.0° |
| N4 | C8 | C7 | O8 | 4.7° | 180.0° |
| N4 | C8 | C7 | H15 | 125.0° | 60.0° |
| N4 | C8 | C7 | H14 | 115.7° | 60.0° |
| C8 | N4 | C4 | H4 | 8.0° | 35.1° |
| C8 | C7 | O8 | H15 | 120.4° | 119.9° |
| C8 | C7 | O8 | H14 | 120.4° | 120.0° |
| C8 | C7 | H15 | H14 | 118.8° | 120.0° |
| C7 | C8 | N4 | H8 | 4.5° | 0.0° |
| C8 | C7 | O8 | C9 | 8.4° | 180.0° |
| O8 | C7 | H15 | H14 | 118.8° | 120.1° |
| C7 | O8 | C9 | C10 | 90.0° | 180.0° |
| C7 | O8 | C9 | H16 | 90.0° | 60.0° |
| C7 | O8 | C9 | H17 | 90.0° | 60.0° |
| H3 | C3 | C2 | H2 | 179.1° | 177.2° |
| H3 | C3 | C4 | H4 | 180.0° | 177.1° |
| H3 | C3 | O3 | HO3 | 60.1° | 59.8° |
| H2 | C2 | O2 | HO2 | 62.3° | 59.9° |
| H2 | C2 | C1 | H1 | 179.8° | 177.8° |
| H2 | C2 | C1 | O1 | 59.3° | 57.7° |
| H62 | C6 | O6 | HO6 | 59.8° | 59.9° |
| H62 | C6 | C5 | H5 | 154.9° | 175.1° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H61 | C6 | C5 | H5 | 85.5° | 65.0° |
| H15 | C7 | O8 | C9 | 128.7° | 60.0° |
| H14 | C7 | O8 | C9 | 112.0° | 60.0° |
| H5 | C5 | C4 | H4 | 177.3° | 177.7° |
| H4 | C4 | N4 | H8 | 172.0° | 144.8° |
| H1 | C1 | O1 | HO1 | 61.2° | 60.0° |
| O8 | C9 | C10 | H16 | 90.0° | 120.0° |
| O8 | C9 | C10 | H17 | 90.0° | 119.9° |
| O8 | C9 | C10 | O9 | 90.0° | 65.0° |
| O8 | C9 | H16 | H17 | 90.0° | 119.9° |
| O8 | C9 | C10 | H18 | 90.0° | 175.0° |
| O8 | C9 | C10 | H6 | 90.0° | 55.0° |
| C9 | C10 | O9 | H18 | 90.0° | 120.0° |
| C9 | C10 | O9 | H6 | 90.0° | 120.1° |
| C9 | C10 | O9 | C11 | 90.0° | 180.0° |
| C10 | C9 | H16 | H17 | 90.0° | 120.1° |
| C9 | C10 | H18 | H6 | 90.0° | 120.0° |
| C10 | O9 | C11 | C12 | 90.0° | 180.0° |
| O9 | C10 | C9 | H16 | 90.0° | 55.0° |
| O9 | C10 | C9 | H17 | 90.0° | 175.0° |
| O9 | C10 | H18 | H6 | 90.0° | 120.0° |
| C10 | O9 | C11 | H7 | 90.0° | 60.0° |
| C10 | O9 | C11 | H19 | 90.0° | 60.0° |
| O9 | C11 | C12 | H7 | 90.0° | 120.0° |
| O9 | C11 | C12 | H19 | 90.0° | 120.0° |
| O9 | C11 | C12 | O7 | 90.0° | 65.0° |
| C11 | O9 | C10 | H18 | 90.0° | 60.0° |
| C11 | O9 | C10 | H6 | 90.0° | 60.0° |
| O9 | C11 | H7 | H19 | 90.0° | 120.0° |
| O9 | C11 | C12 | H9 | 90.0° | 175.0° |
| O9 | C11 | C12 | H10 | 90.0° | 55.0° |
| C11 | C12 | O7 | H9 | 90.0° | 120.0° |
| C11 | C12 | O7 | H10 | 90.0° | 120.0° |
| C11 | C12 | O7 | C15 | 90.0° | 180.0° |
| C12 | C11 | H7 | H19 | 90.0° | 120.0° |
| C11 | C12 | H9 | H10 | 90.0° | 120.0° |
| C12 | O7 | C15 | C16 | 90.0° | 180.0° |
| O7 | C12 | C11 | H7 | 90.0° | 55.0° |
| O7 | C12 | C11 | H19 | 90.0° | 175.0° |
| O7 | C12 | H9 | H10 | 90.0° | 119.9° |
| C12 | O7 | C15 | H11 | 90.0° | 60.0° |
| C12 | O7 | C15 | H12 | 90.0° | 60.0° |
| O7 | C15 | C16 | H11 | 90.0° | 120.0° |
| O7 | C15 | C16 | H12 | 90.0° | 119.9° |
| O7 | C15 | C16 | N3 | 90.0° | 65.0° |
| C15 | O7 | C12 | H9 | 90.0° | 60.0° |
| C15 | O7 | C12 | H10 | 90.0° | 60.0° |
| O7 | C15 | H11 | H12 | 90.0° | 120.0° |
| O7 | C15 | C16 | H13 | 90.0° | 175.0° |
| O7 | C15 | C16 | H22 | 90.0° | 55.0° |
| C15 | C16 | N3 | H13 | 90.0° | 120.0° |
| C15 | C16 | N3 | H22 | 90.0° | 120.0° |
| C15 | C16 | N3 | N2 | 90.0° | 120.0° |
| C16 | C15 | H11 | H12 | 90.0° | 120.0° |
| C15 | C16 | H13 | H22 | 90.0° | 120.0° |
| C16 | N3 | N2 | N1 | 90.0° | 128.3° |
| N3 | C16 | C15 | H11 | 90.0° | 55.0° |
| N3 | C16 | C15 | H12 | 90.0° | 175.1° |
| N3 | C16 | H13 | H22 | 90.0° | 120.0° |
| N2 | N3 | C16 | H13 | 90.0° | 0.1° |
| N2 | N3 | C16 | H22 | 90.0° | 120.1° |
| N3 | N2 | N1 | H23 | 90.0° | 141.7° |
| H16 | C9 | C10 | H18 | 90.0° | 65.0° |
| H16 | C9 | C10 | H6 | 90.0° | 175.0° |
| H17 | C9 | C10 | H18 | 90.0° | 55.0° |
| H17 | C9 | C10 | H6 | 90.0° | 64.9° |
| H7 | C11 | C12 | H9 | 90.0° | 65.0° |
| H7 | C11 | C12 | H10 | 90.0° | 175.0° |
| H19 | C11 | C12 | H9 | 90.0° | 55.0° |
| H19 | C11 | C12 | H10 | 90.0° | 65.0° |
| H11 | C15 | C16 | H13 | 90.0° | 65.1° |
| H11 | C15 | C16 | H22 | 90.0° | 175.0° |
| H12 | C15 | C16 | H13 | 90.0° | 55.0° |
| H12 | C15 | C16 | H22 | 90.0° | 65.0° |
