RW2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C15 | doub | 1.22Å | 1.23Å | |
| O7 | C15 | sing | 1.35Å | 1.23Å | |
| C15 | C12 | sing | 1.41Å | 1.46Å | |
| O1 | C | sing | 1.36Å | 1.33Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C8 | doub | 1.35Å | 1.32Å | |
| N1 | C8 | sing | 1.37Å | 1.33Å | |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C | C1 | doub | 1.39Å | 1.50Å | Aromatic |
| C | C4 | sing | 1.39Å | 1.48Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C1 | N | sing | 1.32Å | 1.31Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.48Å | Aromatic |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C10 | C13 | sing | 1.51Å | 1.50Å | |
| N | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| O2 | P | doub | 1.48Å | 1.47Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.51Å | |
| O5 | C13 | doub | 1.21Å | 1.21Å | |
| C13 | O14 | sing | 1.34Å | 1.24Å | |
| O | P | sing | 1.61Å | 1.58Å | |
| O | C6 | sing | 1.43Å | 1.40Å | |
| O3 | P | sing | 1.61Å | 1.47Å | |
| P | O4 | sing | 1.61Å | 1.46Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| O14 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C15 | O7 | 118.2° | 120.0° |
| O6 | C15 | C12 | 118.5° | 120.0° |
| O7 | C15 | C12 | 123.3° | 120.0° |
| C15 | O7 | H13 | 109.5° | 114.0° |
| C15 | C12 | C11 | 119.7° | 124.8° |
| C15 | C12 | C8 | 129.1° | 124.8° |
| O1 | C | C1 | 120.0° | 120.5° |
| O1 | C | C4 | 120.3° | 120.5° |
| C | O1 | H9 | 109.5° | 114.0° |
| C11 | C12 | C8 | 111.1° | 110.4° |
| C12 | C11 | C10 | 105.3° | 104.9° |
| C12 | C11 | H17 | 110.5° | 110.3° |
| C12 | C11 | H18 | 110.5° | 110.4° |
| C12 | C8 | N1 | 128.4° | 124.7° |
| C12 | C8 | C9 | 111.8° | 110.5° |
| C8 | N1 | C5 | 124.0° | 120.0° |
| N1 | C8 | C9 | 119.8° | 124.8° |
| C8 | N1 | H12 | 105.7° | 120.1° |
| N1 | C5 | C4 | 113.9° | 109.5° |
| N1 | C5 | H10 | 108.3° | 109.5° |
| N1 | C5 | H11 | 108.3° | 109.5° |
| C5 | N1 | H12 | 105.7° | 120.0° |
| C7 | C1 | C | 120.3° | 119.6° |
| C7 | C1 | N | 120.6° | 119.7° |
| C1 | C7 | H6 | 109.5° | 109.5° |
| C1 | C7 | H7 | 109.5° | 109.5° |
| C1 | C7 | H8 | 109.5° | 109.5° |
| C11 | C10 | C9 | 105.9° | 102.0° |
| C11 | C10 | C13 | 112.0° | 111.0° |
| C11 | C10 | H16 | 108.5° | 110.9° |
| C10 | C11 | H17 | 110.5° | 110.5° |
| C10 | C11 | H18 | 110.5° | 110.2° |
| C8 | C9 | C10 | 104.8° | 104.9° |
| C8 | C9 | H14 | 110.6° | 110.3° |
| C8 | C9 | H15 | 110.6° | 110.4° |
| C1 | C | C4 | 119.7° | 119.0° |
| C | C1 | N | 119.1° | 120.7° |
| C | C4 | C5 | 122.4° | 120.8° |
| C | C4 | C3 | 114.7° | 118.4° |
| C5 | C4 | C3 | 122.8° | 120.8° |
| C4 | C5 | H10 | 108.4° | 109.5° |
| C4 | C5 | H11 | 108.4° | 109.5° |
| C1 | N | C2 | 122.8° | 121.8° |
| C4 | C3 | C2 | 118.9° | 119.2° |
| C4 | C3 | C6 | 121.4° | 120.4° |
| C9 | C10 | C13 | 112.9° | 110.9° |
| C10 | C9 | H14 | 110.7° | 110.3° |
| C10 | C9 | H15 | 110.6° | 110.5° |
| C9 | C10 | H16 | 108.5° | 110.9° |
| C10 | C13 | O5 | 118.4° | 120.1° |
| C10 | C13 | O14 | 120.3° | 119.9° |
| C13 | C10 | H16 | 108.8° | 110.9° |
| N | C2 | C3 | 124.8° | 120.9° |
| N | C2 | H5 | 117.6° | 119.6° |
| O2 | P | O | 102.1° | 109.5° |
| O2 | P | O3 | 113.5° | 109.4° |
| O2 | P | O4 | 116.8° | 109.5° |
| C2 | C3 | C6 | 119.7° | 120.4° |
| C3 | C2 | H5 | 117.6° | 119.5° |
| C3 | C6 | O | 109.7° | 109.5° |
| C3 | C6 | H3 | 109.4° | 109.5° |
| C3 | C6 | H4 | 109.4° | 109.5° |
| O5 | C13 | O14 | 121.2° | 120.0° |
| C13 | O14 | H19 | 109.5° | 117.0° |
| P | O | C6 | 125.6° | 123.0° |
| O | P | O3 | 103.8° | 109.5° |
| O | P | O4 | 106.9° | 109.5° |
| O | C6 | H3 | 109.4° | 109.5° |
| O | C6 | H4 | 109.4° | 109.5° |
| O3 | P | O4 | 112.0° | 109.5° |
| P | O3 | H2 | 109.5° | 114.0° |
| P | O4 | H1 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.4° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 110.4° |
| H17 | C11 | H18 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C15 | O7 | C12 | 179.0° | 179.9° |
| O6 | C15 | C12 | C11 | 3.8° | 174.5° |
| O6 | C15 | C12 | C8 | 178.4° | 5.3° |
| O6 | C15 | O7 | H13 | 0.0° | 0.1° |
| O7 | C15 | C12 | C11 | 175.2° | 5.5° |
| O7 | C15 | C12 | C8 | 2.6° | 174.6° |
| C15 | C12 | C11 | C8 | 178.2° | 179.9° |
| C15 | C12 | C8 | N1 | 9.7° | 0.1° |
| C15 | C12 | C11 | C10 | 177.2° | 163.0° |
| C15 | C12 | C8 | C9 | 170.3° | 179.7° |
| C12 | C15 | O7 | H13 | 179.1° | 180.0° |
| C15 | C12 | C11 | H17 | 57.8° | 78.0° |
| C15 | C12 | C11 | H18 | 63.4° | 44.3° |
| O1 | C | C1 | C7 | 1.1° | 0.0° |
| O1 | C | C1 | C4 | 179.1° | 179.7° |
| O1 | C | C4 | C5 | 0.5° | 0.2° |
| O1 | C | C1 | N | 179.6° | 179.9° |
| O1 | C | C4 | C3 | 179.5° | 179.8° |
| C11 | C12 | C8 | N1 | 172.3° | 179.9° |
| C12 | C11 | C10 | H17 | 119.4° | 118.9° |
| C12 | C11 | C10 | H18 | 119.3° | 118.8° |
| C11 | C12 | C8 | C9 | 7.6° | 0.2° |
| C12 | C11 | C10 | C9 | 5.7° | 25.5° |
| C12 | C11 | C10 | C13 | 129.2° | 143.6° |
| C12 | C11 | C10 | H16 | 110.6° | 92.7° |
| C12 | C11 | H17 | H18 | 121.9° | 122.2° |
| C12 | C8 | N1 | C9 | 179.9° | 179.7° |
| C12 | C8 | N1 | C5 | 179.8° | 174.7° |
| C8 | C12 | C11 | C10 | 1.0° | 16.9° |
| C12 | C8 | C9 | C10 | 11.0° | 16.6° |
| C12 | C8 | N1 | H12 | 57.8° | 5.3° |
| C12 | C8 | C9 | H14 | 130.3° | 135.4° |
| C12 | C8 | C9 | H15 | 108.2° | 102.4° |
| C8 | C12 | C11 | H17 | 120.3° | 102.1° |
| C8 | C12 | C11 | H18 | 118.4° | 135.6° |
| C8 | N1 | C5 | H12 | 121.9° | 180.0° |
| C8 | N1 | C5 | C4 | 127.9° | 175.1° |
| N1 | C8 | C9 | C10 | 168.9° | 163.2° |
| C8 | N1 | C5 | H10 | 7.2° | 55.0° |
| C8 | N1 | C5 | H11 | 111.4° | 64.9° |
| N1 | C8 | C9 | H14 | 49.7° | 44.4° |
| N1 | C8 | C9 | H15 | 71.8° | 77.8° |
| C5 | N1 | C8 | C9 | 0.2° | 5.0° |
| N1 | C5 | C4 | C | 29.7° | 90.0° |
| N1 | C5 | C4 | H10 | 120.6° | 120.1° |
| N1 | C5 | C4 | H11 | 120.7° | 120.0° |
| N1 | C5 | C4 | C3 | 150.3° | 90.5° |
| N1 | C5 | H10 | H11 | 118.0° | 120.0° |
| C7 | C1 | C | N | 178.5° | 179.9° |
| C7 | C1 | C | C4 | 179.9° | 179.8° |
| C7 | C1 | N | C2 | 179.5° | 180.0° |
| C1 | C7 | H6 | H7 | 120.0° | 120.0° |
| C1 | C7 | H6 | H8 | 120.0° | 120.0° |
| C1 | C7 | H7 | H8 | 120.0° | 120.0° |
| C11 | C10 | C9 | C8 | 9.7° | 25.4° |
| C11 | C10 | C9 | C13 | 122.9° | 118.3° |
| C11 | C10 | C9 | H16 | 116.4° | 118.1° |
| C11 | C10 | C13 | H16 | 120.0° | 123.7° |
| C11 | C10 | C13 | O5 | 22.0° | 112.6° |
| C11 | C10 | C13 | O14 | 159.4° | 67.3° |
| C11 | C10 | C9 | H14 | 129.0° | 144.1° |
| C11 | C10 | C9 | H15 | 109.5° | 93.6° |
| C10 | C11 | H17 | H18 | 121.9° | 122.2° |
| C8 | C9 | C10 | H14 | 119.2° | 118.8° |
| C8 | C9 | C10 | H15 | 119.3° | 118.9° |
| C8 | C9 | C10 | C13 | 132.6° | 143.6° |
| C9 | C8 | N1 | H12 | 122.1° | 174.9° |
| C8 | C9 | H14 | H15 | 122.2° | 122.2° |
| C8 | C9 | C10 | H16 | 106.6° | 92.8° |
| C1 | C | C4 | C5 | 179.5° | 180.0° |
| C1 | C | C4 | C3 | 0.4° | 0.5° |
| C | C1 | N | C2 | 2.0° | 0.1° |
| C | C1 | C7 | H6 | 178.5° | 90.0° |
| C | C1 | C7 | H7 | 61.5° | 30.0° |
| C | C1 | C7 | H8 | 58.5° | 150.0° |
| C1 | C | O1 | H9 | 180.0° | 90.0° |
| C | C4 | C5 | C3 | 180.0° | 179.5° |
| C4 | C | C1 | N | 1.4° | 0.2° |
| C | C4 | C3 | C2 | 0.2° | 0.5° |
| C | C4 | C3 | C6 | 179.3° | 179.7° |
| C4 | C | O1 | H9 | 0.9° | 89.7° |
| C | C4 | C5 | H10 | 150.3° | 149.9° |
| C | C4 | C5 | H11 | 91.0° | 30.0° |
| C5 | C4 | C3 | C2 | 179.8° | 179.9° |
| C5 | C4 | C3 | C6 | 0.7° | 0.2° |
| C4 | C5 | H10 | H11 | 118.0° | 120.0° |
| C4 | C5 | N1 | H12 | 110.2° | 4.9° |
| C1 | N | C2 | C3 | 1.8° | 0.0° |
| C1 | N | C2 | H5 | 178.2° | 180.0° |
| N | C1 | C7 | H6 | 0.0° | 89.9° |
| N | C1 | C7 | H7 | 120.0° | 150.0° |
| N | C1 | C7 | H8 | 120.0° | 30.0° |
| C4 | C3 | C2 | N | 0.8° | 0.3° |
| C4 | C3 | C2 | C6 | 179.1° | 179.7° |
| C4 | C3 | C6 | O | 49.2° | 179.7° |
| C4 | C3 | C6 | H3 | 169.3° | 59.7° |
| C4 | C3 | C6 | H4 | 70.8° | 60.2° |
| C4 | C3 | C2 | H5 | 179.2° | 179.7° |
| C3 | C4 | C5 | H10 | 29.7° | 29.6° |
| C3 | C4 | C5 | H11 | 89.0° | 149.5° |
| C9 | C10 | C13 | H16 | 120.6° | 123.7° |
| C9 | C10 | C13 | O5 | 141.4° | 0.0° |
| C9 | C10 | C13 | O14 | 40.0° | 180.0° |
| C10 | C9 | H14 | H15 | 122.2° | 122.3° |
| C9 | C10 | C11 | H17 | 113.6° | 93.4° |
| C9 | C10 | C11 | H18 | 125.1° | 144.3° |
| C10 | C13 | O5 | O14 | 178.6° | 179.9° |
| C13 | C10 | C9 | H14 | 108.2° | 97.6° |
| C13 | C10 | C9 | H15 | 13.3° | 24.7° |
| C13 | C10 | C11 | H17 | 9.9° | 24.7° |
| C13 | C10 | C11 | H18 | 111.4° | 97.6° |
| C10 | C13 | O14 | H19 | 178.6° | 179.9° |
| N | C2 | C3 | H5 | 180.0° | 180.0° |
| N | C2 | C3 | C6 | 180.0° | 180.0° |
| O2 | P | O | O3 | 118.3° | 120.0° |
| O2 | P | O | O4 | 123.1° | 120.0° |
| O2 | P | O | C6 | 154.6° | 55.0° |
| O2 | P | O3 | O4 | 134.9° | 120.0° |
| O2 | P | O4 | H1 | 0.0° | 180.0° |
| O2 | P | O3 | H2 | 0.0° | 60.1° |
| C2 | C3 | C6 | O | 129.9° | 0.0° |
| C2 | C3 | C6 | H3 | 9.9° | 120.0° |
| C2 | C3 | C6 | H4 | 110.1° | 120.0° |
| C3 | C6 | O | P | 162.3° | 180.0° |
| C3 | C6 | O | H3 | 120.0° | 120.0° |
| C3 | C6 | O | H4 | 120.0° | 120.0° |
| C3 | C6 | H3 | H4 | 119.9° | 120.0° |
| C6 | C3 | C2 | H5 | 0.1° | 0.0° |
| O5 | C13 | C10 | H16 | 98.0° | 123.7° |
| O5 | C13 | O14 | H19 | 0.0° | 0.1° |
| O14 | C13 | C10 | H16 | 80.6° | 56.4° |
| O | P | O3 | O4 | 115.0° | 120.0° |
| O | P | O4 | H1 | 113.6° | 60.0° |
| O | P | O3 | H2 | 110.0° | 180.0° |
| P | O | C6 | H3 | 77.7° | 60.0° |
| P | O | C6 | H4 | 42.3° | 60.0° |
| C6 | O | P | O3 | 87.1° | 175.0° |
| C6 | O | P | O4 | 31.5° | 65.0° |
| O | C6 | H3 | H4 | 119.9° | 120.0° |
| O3 | P | O4 | H1 | 133.3° | 60.0° |
| O4 | P | O3 | H2 | 134.9° | 60.0° |
| H6 | C7 | H7 | H8 | 119.9° | 120.0° |
| H10 | C5 | N1 | H12 | 129.2° | 125.0° |
| H11 | C5 | N1 | H12 | 10.5° | 115.1° |
| H14 | C9 | C10 | H16 | 12.6° | 26.0° |
| H15 | C9 | C10 | H16 | 134.1° | 148.3° |
| H16 | C10 | C11 | H17 | 130.0° | 148.4° |
| H16 | C10 | C11 | H18 | 8.7° | 26.1° |
