W0U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C13 | sing | 1.38Å | 1.33Å | |
| O1 | P1 | doub | 1.48Å | 1.52Å | |
| C13 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | N5 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C12 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C10 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| O6 | C4 | doub | 1.21Å | 1.23Å | |
| N5 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C3 | sing | 1.47Å | 1.49Å | |
| C10 | N2 | sing | 1.36Å | 1.38Å | Aromatic |
| P1 | N1 | sing | 1.64Å | 1.71Å | |
| P1 | O5 | sing | 1.61Å | 1.52Å | |
| P1 | O2 | sing | 1.61Å | 1.60Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | N1 | sing | 1.35Å | 1.36Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C11 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| O2 | C5 | sing | 1.43Å | 1.44Å | |
| C14 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| N2 | C7 | sing | 1.46Å | 1.46Å | |
| C2 | O7 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| O3 | C7 | sing | 1.44Å | 1.42Å | |
| O3 | C6 | sing | 1.44Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.47Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| O4 | C8 | sing | 1.43Å | 1.41Å | |
| C6 | C9 | sing | 1.54Å | 1.51Å | |
| C9 | C8 | sing | 1.55Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| N7 | H20 | sing | 1.01Å | 1.00Å | |
| N7 | H21 | sing | 1.01Å | 1.00Å | |
| O7 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C13 | C12 | 124.4° | 120.8° |
| N4 | C13 | N5 | 118.7° | 120.8° |
| C13 | N4 | H16 | 109.5° | 120.0° |
| C13 | N4 | H17 | 109.5° | 119.9° |
| O1 | P1 | N1 | 112.4° | 109.4° |
| O1 | P1 | O5 | 120.8° | 109.5° |
| O1 | P1 | O2 | 108.2° | 109.5° |
| C12 | C13 | N5 | 116.9° | 118.5° |
| C13 | C12 | N3 | 132.6° | 134.7° |
| C13 | C12 | C11 | 117.2° | 118.2° |
| C13 | N5 | C14 | 119.2° | 121.2° |
| C12 | N3 | C10 | 104.6° | 109.4° |
| N3 | C12 | C11 | 110.1° | 107.1° |
| N3 | C10 | N2 | 113.2° | 110.0° |
| N3 | C10 | H7 | 123.4° | 125.0° |
| C12 | C11 | N2 | 106.1° | 106.0° |
| C12 | C11 | N6 | 126.7° | 119.1° |
| O6 | C4 | C3 | 119.7° | 120.0° |
| O6 | C4 | N1 | 124.6° | 120.0° |
| N5 | C14 | N6 | 129.1° | 122.5° |
| N5 | C14 | H18 | 115.4° | 118.8° |
| N7 | C3 | C4 | 109.0° | 109.5° |
| N7 | C3 | C2 | 109.9° | 109.5° |
| N7 | C3 | H12 | 106.9° | 109.5° |
| C3 | N7 | H20 | 109.5° | 111.0° |
| C3 | N7 | H21 | 109.5° | 111.0° |
| C10 | N2 | C11 | 106.0° | 107.4° |
| C10 | N2 | C7 | 127.8° | 126.3° |
| N2 | C10 | H7 | 123.4° | 125.0° |
| N1 | P1 | O5 | 108.9° | 109.5° |
| N1 | P1 | O2 | 104.7° | 109.5° |
| P1 | N1 | C4 | 125.7° | 120.0° |
| P1 | N1 | H1 | 117.1° | 120.0° |
| O5 | P1 | O2 | 100.0° | 109.5° |
| P1 | O5 | H19 | 109.5° | 114.0° |
| P1 | O2 | C5 | 116.2° | 123.0° |
| C3 | C4 | N1 | 115.6° | 120.0° |
| C4 | C3 | C2 | 117.8° | 109.5° |
| C4 | C3 | H12 | 106.4° | 109.4° |
| C4 | N1 | H1 | 117.1° | 120.0° |
| C3 | C2 | O7 | 106.1° | 109.5° |
| C3 | C2 | C1 | 115.1° | 109.4° |
| C3 | C2 | H11 | 106.1° | 109.4° |
| C2 | C3 | H12 | 106.3° | 109.5° |
| N2 | C11 | N6 | 127.3° | 134.9° |
| C11 | N2 | C7 | 126.1° | 126.3° |
| C11 | N6 | C14 | 110.8° | 120.6° |
| O2 | C5 | C6 | 109.1° | 109.5° |
| O2 | C5 | H2 | 109.6° | 109.4° |
| O2 | C5 | H3 | 109.5° | 109.5° |
| N6 | C14 | H18 | 115.5° | 118.7° |
| N2 | C7 | O3 | 109.1° | 110.5° |
| N2 | C7 | C8 | 113.3° | 110.4° |
| N2 | C7 | H5 | 108.9° | 110.3° |
| O7 | C2 | C1 | 115.3° | 109.5° |
| O7 | C2 | H11 | 107.3° | 109.5° |
| C2 | O7 | H23 | 109.5° | 114.0° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C1 | C2 | H11 | 106.5° | 109.5° |
| C7 | O3 | C6 | 107.8° | 105.3° |
| O3 | C7 | C8 | 108.3° | 104.8° |
| O3 | C7 | H5 | 109.4° | 110.4° |
| O3 | C6 | C5 | 108.4° | 110.4° |
| O3 | C6 | C9 | 104.8° | 104.8° |
| O3 | C6 | H4 | 110.5° | 110.4° |
| C5 | C6 | C9 | 113.7° | 110.3° |
| C6 | C5 | H2 | 109.6° | 109.5° |
| C6 | C5 | H3 | 109.6° | 109.5° |
| C5 | C6 | H4 | 110.0° | 110.3° |
| C7 | C8 | O4 | 113.3° | 110.5° |
| C7 | C8 | C9 | 102.0° | 104.1° |
| C8 | C7 | H5 | 107.9° | 110.3° |
| C7 | C8 | H6 | 110.0° | 110.6° |
| O4 | C8 | C9 | 108.8° | 110.6° |
| O4 | C8 | H6 | 111.9° | 110.4° |
| C8 | O4 | H15 | 109.5° | 114.0° |
| C6 | C9 | C8 | 102.3° | 104.0° |
| C9 | C6 | H4 | 109.5° | 110.4° |
| C6 | C9 | H13 | 111.2° | 110.5° |
| C6 | C9 | H14 | 111.2° | 110.5° |
| C9 | C8 | H6 | 110.4° | 110.5° |
| C8 | C9 | H13 | 111.3° | 110.5° |
| C8 | C9 | H14 | 111.3° | 110.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 110.6° |
| H16 | N4 | H17 | 109.5° | 120.0° |
| H20 | N7 | H21 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C13 | C12 | N5 | 177.2° | 180.0° |
| N4 | C13 | C12 | N3 | 3.0° | 0.0° |
| N4 | C13 | C12 | C11 | 175.3° | 180.0° |
| N4 | C13 | N5 | C14 | 174.1° | 180.0° |
| C13 | N4 | H16 | H17 | 120.0° | 180.0° |
| O1 | P1 | N1 | O5 | 136.6° | 120.0° |
| O1 | P1 | N1 | O2 | 117.2° | 120.0° |
| O1 | P1 | O5 | O2 | 118.3° | 120.0° |
| O1 | P1 | N1 | C4 | 42.9° | 179.8° |
| O1 | P1 | O2 | C5 | 168.3° | 45.0° |
| O1 | P1 | N1 | H1 | 137.1° | 0.0° |
| O1 | P1 | O5 | H19 | 0.0° | 180.0° |
| C13 | C12 | N3 | C11 | 178.4° | 180.0° |
| C13 | C12 | N3 | C10 | 179.8° | 180.0° |
| C12 | C13 | N5 | C14 | 3.3° | 0.0° |
| C13 | C12 | C11 | N2 | 179.4° | 180.0° |
| C13 | C12 | C11 | N6 | 0.1° | 0.0° |
| C12 | C13 | N4 | H16 | 177.1° | 0.0° |
| C12 | C13 | N4 | H17 | 57.1° | 180.0° |
| N5 | C13 | C12 | N3 | 179.9° | 180.0° |
| N5 | C13 | C12 | C11 | 1.9° | 0.0° |
| C13 | N5 | C14 | N6 | 3.1° | 0.0° |
| N5 | C13 | N4 | H16 | 0.0° | 180.0° |
| N5 | C13 | N4 | H17 | 120.0° | 0.0° |
| C13 | N5 | C14 | H18 | 176.9° | 180.0° |
| C12 | N3 | C10 | N2 | 2.2° | 0.0° |
| N3 | C12 | C11 | N2 | 0.8° | 0.0° |
| N3 | C12 | C11 | N6 | 178.6° | 180.0° |
| C12 | N3 | C10 | H7 | 177.8° | 180.0° |
| C10 | N3 | C12 | C11 | 1.8° | 0.0° |
| N3 | C10 | N2 | H7 | 180.0° | 180.0° |
| N3 | C10 | N2 | C11 | 1.8° | 0.0° |
| N3 | C10 | N2 | C7 | 179.7° | 180.0° |
| C12 | C11 | N2 | C10 | 0.5° | 0.0° |
| C12 | C11 | N2 | N6 | 179.4° | 179.9° |
| C12 | C11 | N6 | C14 | 0.6° | 0.0° |
| C12 | C11 | N2 | C7 | 178.5° | 180.0° |
| O6 | C4 | C3 | N7 | 12.1° | 20.0° |
| O6 | C4 | N1 | P1 | 6.0° | 0.2° |
| O6 | C4 | C3 | N1 | 176.3° | 180.0° |
| O6 | C4 | C3 | C2 | 113.9° | 100.0° |
| O6 | C4 | N1 | H1 | 174.0° | 180.0° |
| O6 | C4 | C3 | H12 | 127.1° | 140.0° |
| N5 | C14 | N6 | C11 | 1.1° | 0.0° |
| N5 | C14 | N6 | H18 | 180.0° | 180.0° |
| N7 | C3 | C4 | C2 | 126.0° | 120.0° |
| N7 | C3 | C4 | H12 | 115.0° | 120.0° |
| N7 | C3 | C4 | N1 | 164.1° | 160.0° |
| N7 | C3 | C2 | H12 | 115.3° | 120.0° |
| N7 | C3 | C2 | O7 | 4.6° | 180.0° |
| N7 | C3 | C2 | C1 | 124.1° | 60.0° |
| N7 | C3 | C2 | H11 | 118.5° | 60.0° |
| C3 | N7 | H20 | H21 | 120.0° | 124.0° |
| C10 | N2 | C11 | C7 | 178.0° | 180.0° |
| C10 | N2 | C11 | N6 | 179.9° | 180.0° |
| C10 | N2 | C7 | O3 | 37.4° | 20.5° |
| C10 | N2 | C7 | C8 | 83.3° | 95.0° |
| C10 | N2 | C7 | H5 | 156.7° | 142.8° |
| N1 | P1 | O5 | O2 | 109.4° | 120.0° |
| P1 | N1 | C4 | C3 | 170.1° | 179.8° |
| P1 | N1 | C4 | H1 | 180.0° | 179.7° |
| N1 | P1 | O2 | C5 | 48.3° | 74.9° |
| N1 | P1 | O5 | H19 | 132.3° | 60.0° |
| O5 | P1 | N1 | C4 | 179.5° | 60.3° |
| O5 | P1 | O2 | C5 | 64.4° | 165.0° |
| O5 | P1 | N1 | H1 | 0.5° | 120.0° |
| O2 | P1 | N1 | C4 | 74.2° | 59.8° |
| P1 | O2 | C5 | C6 | 152.7° | 180.0° |
| O2 | P1 | N1 | H1 | 105.8° | 119.9° |
| P1 | O2 | C5 | H2 | 32.8° | 60.0° |
| P1 | O2 | C5 | H3 | 87.3° | 60.0° |
| O2 | P1 | O5 | H19 | 118.3° | 60.0° |
| C4 | C3 | C2 | H12 | 119.1° | 120.0° |
| C4 | C3 | C2 | O7 | 130.1° | 60.0° |
| C4 | C3 | C2 | C1 | 1.4° | 180.0° |
| C3 | C4 | N1 | H1 | 10.0° | 0.0° |
| C4 | C3 | C2 | H11 | 116.0° | 60.0° |
| C4 | C3 | N7 | H20 | 180.0° | 60.0° |
| C4 | C3 | N7 | H21 | 60.0° | 176.0° |
| N1 | C4 | C3 | C2 | 69.9° | 80.0° |
| N1 | C4 | C3 | H12 | 49.2° | 40.0° |
| C3 | C2 | O7 | C1 | 128.6° | 120.0° |
| C3 | C2 | O7 | H11 | 113.1° | 120.0° |
| C3 | C2 | C1 | H11 | 117.2° | 120.0° |
| C3 | C2 | C1 | H8 | 180.0° | 60.0° |
| C3 | C2 | C1 | H9 | 60.0° | 60.0° |
| C3 | C2 | C1 | H10 | 60.0° | 180.0° |
| C2 | C3 | N7 | H20 | 49.5° | 60.0° |
| C2 | C3 | N7 | H21 | 169.5° | 64.0° |
| C3 | C2 | O7 | H23 | 180.0° | 180.0° |
| N2 | C11 | N6 | C14 | 179.8° | 180.0° |
| C11 | N2 | C7 | O3 | 145.0° | 159.5° |
| C11 | N2 | C7 | C8 | 94.3° | 85.0° |
| C11 | N2 | C7 | H5 | 25.7° | 37.2° |
| C11 | N2 | C10 | H7 | 178.2° | 180.0° |
| N6 | C11 | N2 | C7 | 2.1° | 0.0° |
| C11 | N6 | C14 | H18 | 178.9° | 180.0° |
| O2 | C5 | C6 | O3 | 48.2° | 69.6° |
| O2 | C5 | C6 | H2 | 119.9° | 119.9° |
| O2 | C5 | C6 | H3 | 119.9° | 120.0° |
| O2 | C5 | C6 | C9 | 67.8° | 175.0° |
| O2 | C5 | H2 | H3 | 120.1° | 120.0° |
| O2 | C5 | C6 | H4 | 169.1° | 52.7° |
| N2 | C7 | O3 | C8 | 123.7° | 118.9° |
| N2 | C7 | O3 | H5 | 119.0° | 122.3° |
| N2 | C7 | O3 | C6 | 130.3° | 159.4° |
| N2 | C7 | C8 | H5 | 120.6° | 122.2° |
| N2 | C7 | C8 | O4 | 13.1° | 24.2° |
| N2 | C7 | C8 | C9 | 103.6° | 142.9° |
| N2 | C7 | C8 | H6 | 139.2° | 98.4° |
| C7 | N2 | C10 | H7 | 0.2° | 0.0° |
| O7 | C2 | C1 | H11 | 118.8° | 120.0° |
| O7 | C2 | C1 | H8 | 56.0° | 60.0° |
| O7 | C2 | C1 | H9 | 64.0° | 180.0° |
| O7 | C2 | C1 | H10 | 176.0° | 60.0° |
| O7 | C2 | C3 | H12 | 110.8° | 60.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 119.9° |
| C2 | C1 | H9 | H10 | 120.0° | 119.9° |
| C1 | C2 | C3 | H12 | 120.6° | 60.0° |
| C1 | C2 | O7 | H23 | 51.4° | 60.0° |
| C7 | O3 | C6 | C5 | 150.0° | 159.3° |
| O3 | C7 | C8 | H5 | 118.3° | 118.8° |
| O3 | C7 | C8 | O4 | 134.3° | 94.8° |
| C7 | O3 | C6 | C9 | 28.3° | 40.5° |
| O3 | C7 | C8 | C9 | 17.5° | 23.9° |
| C7 | O3 | C6 | H4 | 89.5° | 78.4° |
| O3 | C7 | C8 | H6 | 99.7° | 142.6° |
| O3 | C6 | C5 | C9 | 116.0° | 115.4° |
| O3 | C6 | C5 | H4 | 120.9° | 122.4° |
| C6 | O3 | C7 | C8 | 6.6° | 40.5° |
| O3 | C6 | C9 | H4 | 118.5° | 118.9° |
| O3 | C6 | C9 | C8 | 38.7° | 24.0° |
| O3 | C6 | C5 | H2 | 168.1° | 170.4° |
| O3 | C6 | C5 | H3 | 71.7° | 50.4° |
| C6 | O3 | C7 | H5 | 110.7° | 78.3° |
| O3 | C6 | C9 | H13 | 80.1° | 94.7° |
| O3 | C6 | C9 | H14 | 157.6° | 142.6° |
| C5 | C6 | C9 | H4 | 123.4° | 122.2° |
| C5 | C6 | C9 | C8 | 156.8° | 142.8° |
| C6 | C5 | H2 | H3 | 120.2° | 120.0° |
| C5 | C6 | C9 | H13 | 38.0° | 24.2° |
| C5 | C6 | C9 | H14 | 84.3° | 98.6° |
| C7 | C8 | O4 | C9 | 112.7° | 114.7° |
| C7 | C8 | O4 | H6 | 125.1° | 122.7° |
| C7 | C8 | C9 | C6 | 33.3° | 0.0° |
| C7 | C8 | C9 | H6 | 116.9° | 118.7° |
| C7 | C8 | C9 | H13 | 85.5° | 118.6° |
| C7 | C8 | C9 | H14 | 152.1° | 118.6° |
| C7 | C8 | O4 | H15 | 180.0° | 180.0° |
| O4 | C8 | C9 | C6 | 153.3° | 118.7° |
| O4 | C8 | C9 | H6 | 123.1° | 122.6° |
| O4 | C8 | C7 | H5 | 107.4° | 146.4° |
| O4 | C8 | C9 | H13 | 34.5° | 0.1° |
| O4 | C8 | C9 | H14 | 87.9° | 122.7° |
| C6 | C9 | C8 | H13 | 118.8° | 118.6° |
| C6 | C9 | C8 | H14 | 118.8° | 118.6° |
| C9 | C6 | C5 | H2 | 52.1° | 55.0° |
| C9 | C6 | C5 | H3 | 172.3° | 65.0° |
| C6 | C9 | C8 | H6 | 83.6° | 118.7° |
| C6 | C9 | H13 | H14 | 123.3° | 122.7° |
| C8 | C9 | C6 | H4 | 79.7° | 95.0° |
| C9 | C8 | C7 | H5 | 135.8° | 94.9° |
| C8 | C9 | H13 | H14 | 123.4° | 122.7° |
| C9 | C8 | O4 | H15 | 67.3° | 65.3° |
| H2 | C5 | C6 | H4 | 71.0° | 67.2° |
| H3 | C5 | C6 | H4 | 49.1° | 172.7° |
| H4 | C6 | C9 | H13 | 161.4° | 146.4° |
| H4 | C6 | C9 | H14 | 39.1° | 23.6° |
| H5 | C7 | C8 | H6 | 18.6° | 23.7° |
| H6 | C8 | C9 | H13 | 157.6° | 122.7° |
| H6 | C8 | C9 | H14 | 35.2° | 0.1° |
| H6 | C8 | O4 | H15 | 54.9° | 57.3° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H8 | C1 | C2 | H11 | 62.8° | 180.0° |
| H9 | C1 | C2 | H11 | 177.2° | 59.9° |
| H10 | C1 | C2 | H11 | 57.2° | 60.0° |
| H11 | C2 | C3 | H12 | 3.1° | 180.0° |
| H11 | C2 | O7 | H23 | 66.9° | 60.1° |
| H12 | C3 | N7 | H20 | 65.4° | 179.9° |
| H12 | C3 | N7 | H21 | 54.6° | 56.1° |
