WN9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | N2 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| N2 | C14 | doub | 1.33Å | 1.32Å | Aromatic |
| O4 | C11 | sing | 1.44Å | 1.68Å | |
| O4 | C6 | sing | 1.44Å | 1.29Å | |
| C10 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | N6 | sing | 1.37Å | 1.33Å | Aromatic |
| C14 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | N4 | sing | 1.38Å | 1.47Å | |
| C11 | C13 | sing | 1.53Å | 1.57Å | |
| C11 | C9 | sing | 1.54Å | 1.29Å | |
| C6 | N6 | sing | 1.47Å | 1.47Å | |
| C6 | C8 | sing | 1.55Å | 1.58Å | |
| C12 | N5 | sing | 1.35Å | 1.33Å | Aromatic |
| N6 | C15 | sing | 1.36Å | 1.31Å | Aromatic |
| O3 | C9 | sing | 1.43Å | 1.50Å | |
| C13 | O5 | sing | 1.43Å | 1.44Å | |
| C9 | C8 | sing | 1.55Å | 1.56Å | |
| N5 | C15 | doub | 1.30Å | 1.33Å | Aromatic |
| O6 | P1 | doub | 1.48Å | 1.49Å | |
| O5 | P1 | sing | 1.61Å | 1.61Å | |
| C8 | O2 | sing | 1.43Å | 1.32Å | |
| P1 | O8 | sing | 1.61Å | 1.68Å | |
| P1 | O7 | sing | 1.61Å | 1.53Å | |
| C5 | C3 | sing | 1.53Å | 1.63Å | |
| O8 | C2 | sing | 1.34Å | 1.43Å | |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | O1 | doub | 1.21Å | 1.11Å | |
| C3 | C1 | sing | 1.53Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| O2 | H22 | sing | 0.97Å | 0.95Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| O7 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C7 | N2 | 121.6° | 122.5° |
| C7 | N3 | C10 | 120.8° | 120.6° |
| N3 | C7 | H13 | 119.2° | 118.7° |
| C7 | N2 | C14 | 120.7° | 121.1° |
| N2 | C7 | H13 | 119.2° | 118.7° |
| N3 | C10 | C12 | 119.7° | 119.1° |
| N3 | C10 | N6 | 133.4° | 134.9° |
| N2 | C14 | C12 | 119.4° | 118.5° |
| N2 | C14 | N4 | 119.6° | 120.7° |
| C11 | O4 | C6 | 105.7° | 106.9° |
| O4 | C11 | C13 | 110.2° | 109.9° |
| O4 | C11 | C9 | 107.3° | 107.3° |
| O4 | C11 | H16 | 107.1° | 110.0° |
| O4 | C6 | N6 | 111.1° | 110.6° |
| O4 | C6 | C8 | 104.5° | 103.5° |
| O4 | C6 | H12 | 112.2° | 110.8° |
| C12 | C10 | N6 | 106.9° | 106.0° |
| C10 | C12 | C14 | 117.7° | 118.2° |
| C10 | C12 | N5 | 107.2° | 107.1° |
| C10 | N6 | C6 | 124.0° | 126.3° |
| C10 | N6 | C15 | 108.9° | 107.5° |
| C12 | C14 | N4 | 121.0° | 120.8° |
| C14 | C12 | N5 | 135.1° | 134.7° |
| C14 | N4 | H20 | 109.5° | 120.0° |
| C14 | N4 | H21 | 109.5° | 120.0° |
| C13 | C11 | C9 | 111.1° | 109.9° |
| C11 | C13 | O5 | 108.6° | 109.5° |
| C13 | C11 | H16 | 108.5° | 109.9° |
| C11 | C13 | H17 | 109.7° | 109.5° |
| C11 | C13 | H18 | 109.7° | 109.5° |
| C11 | C9 | O3 | 109.3° | 110.6° |
| C11 | C9 | C8 | 104.8° | 104.2° |
| C11 | C9 | H15 | 113.5° | 110.5° |
| C9 | C11 | H16 | 112.5° | 109.9° |
| N6 | C6 | C8 | 111.5° | 110.6° |
| C6 | N6 | C15 | 127.1° | 126.3° |
| N6 | C6 | H12 | 109.5° | 110.6° |
| C6 | C8 | C9 | 100.6° | 102.1° |
| C6 | C8 | O2 | 111.2° | 110.9° |
| C8 | C6 | H12 | 108.0° | 110.6° |
| C6 | C8 | H14 | 109.7° | 110.9° |
| C12 | N5 | C15 | 107.8° | 109.4° |
| N6 | C15 | N5 | 109.2° | 110.0° |
| N6 | C15 | H19 | 125.4° | 125.0° |
| O3 | C9 | C8 | 109.8° | 110.5° |
| O3 | C9 | H15 | 110.1° | 110.4° |
| C9 | O3 | H23 | 109.5° | 114.0° |
| C13 | O5 | P1 | 118.1° | 123.0° |
| O5 | C13 | H17 | 109.7° | 109.4° |
| O5 | C13 | H18 | 109.7° | 109.5° |
| C9 | C8 | O2 | 110.9° | 110.9° |
| C9 | C8 | H14 | 109.9° | 110.9° |
| C8 | C9 | H15 | 109.2° | 110.5° |
| N5 | C15 | H19 | 125.4° | 125.0° |
| O6 | P1 | O5 | 109.2° | 109.5° |
| O6 | P1 | O8 | 108.3° | 109.4° |
| O6 | P1 | O7 | 109.7° | 109.5° |
| O5 | P1 | O8 | 110.1° | 109.5° |
| O5 | P1 | O7 | 108.9° | 109.5° |
| O2 | C8 | H14 | 113.7° | 110.8° |
| C8 | O2 | H22 | 109.5° | 113.9° |
| O8 | P1 | O7 | 110.6° | 109.5° |
| P1 | O8 | C2 | 119.7° | 117.0° |
| P1 | O7 | H24 | 109.5° | 114.0° |
| C5 | C3 | C1 | 111.9° | 109.5° |
| C5 | C3 | C4 | 109.9° | 109.5° |
| C5 | C3 | H5 | 107.2° | 109.4° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| C3 | C5 | H10 | 109.5° | 109.4° |
| C3 | C5 | H11 | 109.4° | 109.4° |
| O8 | C2 | C1 | 119.4° | 120.0° |
| O8 | C2 | O1 | 120.8° | 120.0° |
| N1 | C1 | C2 | 109.6° | 109.5° |
| N1 | C1 | C3 | 110.0° | 109.5° |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 110.9° |
| N1 | C1 | H4 | 109.2° | 109.5° |
| C1 | C2 | O1 | 119.8° | 120.0° |
| C2 | C1 | C3 | 111.0° | 109.4° |
| C2 | C1 | H4 | 108.2° | 109.5° |
| C1 | C3 | C4 | 110.8° | 109.5° |
| C3 | C1 | H4 | 108.7° | 109.5° |
| C1 | C3 | H5 | 109.0° | 109.5° |
| C4 | C3 | H5 | 107.9° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.4° | 109.5° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H20 | N4 | H21 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C7 | N2 | H13 | 180.0° | 179.8° |
| N3 | C7 | N2 | C14 | 0.0° | 0.1° |
| C7 | N3 | C10 | C12 | 0.1° | 0.1° |
| C7 | N3 | C10 | N6 | 179.9° | 180.0° |
| N2 | C7 | N3 | C10 | 0.0° | 0.1° |
| C7 | N2 | C14 | C12 | 0.0° | 0.0° |
| C7 | N2 | C14 | N4 | 179.9° | 180.0° |
| N3 | C10 | C12 | N6 | 179.9° | 180.0° |
| N3 | C10 | C12 | C14 | 0.1° | 0.0° |
| N3 | C10 | N6 | C6 | 0.0° | 0.1° |
| N3 | C10 | C12 | N5 | 179.9° | 180.0° |
| N3 | C10 | N6 | C15 | 179.8° | 180.0° |
| C10 | N3 | C7 | H13 | 179.9° | 179.7° |
| N2 | C14 | C12 | C10 | 0.0° | 0.0° |
| N2 | C14 | C12 | N4 | 180.0° | 180.0° |
| N2 | C14 | C12 | N5 | 179.9° | 180.0° |
| C14 | N2 | C7 | H13 | 180.0° | 179.7° |
| N2 | C14 | N4 | H20 | 0.0° | 179.9° |
| N2 | C14 | N4 | H21 | 120.0° | 0.0° |
| O4 | C11 | C13 | C9 | 118.8° | 117.9° |
| O4 | C11 | C13 | H16 | 117.0° | 121.1° |
| O4 | C11 | C9 | H16 | 117.6° | 119.6° |
| C11 | O4 | C6 | N6 | 147.6° | 158.5° |
| C11 | O4 | C6 | C8 | 27.3° | 40.0° |
| O4 | C11 | C9 | O3 | 95.3° | 120.8° |
| O4 | C11 | C13 | O5 | 39.6° | 67.2° |
| O4 | C11 | C9 | C8 | 22.3° | 2.1° |
| C11 | O4 | C6 | H12 | 89.5° | 78.5° |
| O4 | C11 | C9 | H15 | 141.4° | 116.6° |
| O4 | C11 | C13 | H17 | 80.2° | 172.9° |
| O4 | C11 | C13 | H18 | 159.5° | 52.8° |
| O4 | C6 | N6 | C10 | 122.3° | 160.9° |
| C6 | O4 | C11 | C13 | 124.7° | 146.0° |
| C6 | O4 | C11 | C9 | 3.6° | 26.5° |
| O4 | C6 | N6 | C8 | 116.2° | 114.1° |
| O4 | C6 | N6 | H12 | 124.4° | 123.1° |
| O4 | C6 | C8 | H12 | 119.6° | 118.6° |
| O4 | C6 | N6 | C15 | 57.5° | 19.0° |
| O4 | C6 | C8 | C9 | 40.4° | 37.0° |
| O4 | C6 | C8 | O2 | 157.9° | 155.2° |
| O4 | C6 | C8 | H14 | 75.4° | 81.2° |
| C6 | O4 | C11 | H16 | 117.5° | 93.0° |
| C10 | C12 | C14 | N5 | 180.0° | 180.0° |
| C10 | C12 | C14 | N4 | 180.0° | 180.0° |
| C12 | C10 | N6 | C6 | 179.8° | 180.0° |
| C12 | C10 | N6 | C15 | 0.0° | 0.1° |
| C10 | C12 | N5 | C15 | 0.0° | 0.0° |
| N6 | C10 | C12 | C14 | 180.0° | 180.0° |
| C10 | N6 | C6 | C15 | 179.8° | 179.9° |
| C10 | N6 | C6 | C8 | 121.5° | 85.0° |
| N6 | C10 | C12 | N5 | 0.0° | 0.0° |
| C10 | N6 | C15 | N5 | 0.1° | 0.1° |
| C10 | N6 | C6 | H12 | 2.1° | 37.8° |
| C10 | N6 | C15 | H19 | 180.0° | 180.0° |
| C14 | C12 | N5 | C15 | 179.9° | 180.0° |
| C12 | C14 | N4 | H20 | 180.0° | 0.1° |
| C12 | C14 | N4 | H21 | 60.0° | 180.0° |
| N4 | C14 | C12 | N5 | 0.0° | 0.0° |
| C14 | N4 | H20 | H21 | 120.0° | 180.0° |
| C13 | C11 | C9 | H16 | 121.8° | 121.0° |
| C13 | C11 | C9 | O3 | 144.1° | 119.8° |
| C11 | C13 | O5 | H17 | 119.8° | 120.0° |
| C11 | C13 | O5 | H18 | 119.9° | 120.0° |
| C13 | C11 | C9 | C8 | 98.2° | 121.5° |
| C11 | C13 | O5 | P1 | 176.7° | 180.0° |
| C13 | C11 | C9 | H15 | 20.8° | 2.8° |
| C11 | C13 | H17 | H18 | 120.4° | 120.0° |
| C11 | C9 | C8 | C6 | 37.7° | 20.9° |
| C11 | C9 | O3 | C8 | 114.4° | 114.8° |
| C11 | C9 | O3 | H15 | 125.3° | 122.6° |
| C9 | C11 | C13 | O5 | 79.2° | 175.0° |
| C11 | C9 | C8 | H15 | 121.9° | 118.7° |
| C11 | C9 | C8 | O2 | 155.5° | 139.1° |
| C11 | C9 | C8 | H14 | 77.9° | 97.4° |
| C9 | C11 | C13 | H17 | 160.9° | 55.0° |
| C9 | C11 | C13 | H18 | 40.7° | 65.0° |
| C11 | C9 | O3 | H23 | 180.0° | 176.3° |
| N6 | C6 | C8 | H12 | 120.3° | 122.9° |
| N6 | C6 | C8 | C9 | 160.5° | 155.5° |
| C6 | N6 | C15 | N5 | 179.9° | 180.0° |
| N6 | C6 | C8 | O2 | 82.0° | 86.3° |
| N6 | C6 | C8 | H14 | 44.8° | 37.3° |
| C6 | N6 | C15 | H19 | 0.2° | 0.1° |
| C8 | C6 | N6 | C15 | 58.7° | 95.1° |
| C6 | C8 | C9 | O3 | 79.5° | 98.0° |
| C6 | C8 | C9 | O2 | 117.8° | 118.2° |
| C6 | C8 | C9 | H14 | 115.6° | 118.2° |
| C6 | C8 | O2 | H14 | 124.5° | 123.6° |
| C6 | C8 | C9 | H15 | 159.6° | 139.6° |
| C6 | C8 | O2 | H22 | 180.0° | 180.0° |
| C12 | N5 | C15 | N6 | 0.1° | 0.0° |
| C12 | N5 | C15 | H19 | 180.0° | 180.0° |
| N6 | C15 | N5 | H19 | 180.0° | 180.0° |
| C15 | N6 | C6 | H12 | 178.1° | 142.1° |
| O3 | C9 | C8 | H15 | 120.8° | 122.5° |
| O3 | C9 | C8 | O2 | 38.3° | 20.2° |
| O3 | C9 | C8 | H14 | 164.8° | 143.8° |
| O3 | C9 | C11 | H16 | 22.3° | 1.2° |
| C13 | O5 | P1 | O6 | 82.7° | 55.0° |
| C13 | O5 | P1 | O8 | 36.1° | 175.0° |
| C13 | O5 | P1 | O7 | 157.5° | 65.0° |
| O5 | C13 | C11 | H16 | 156.6° | 54.0° |
| O5 | C13 | H17 | H18 | 120.4° | 120.0° |
| C9 | C8 | O2 | H14 | 124.4° | 123.7° |
| C9 | C8 | C6 | H12 | 79.2° | 81.6° |
| C8 | C9 | C11 | H16 | 139.9° | 117.5° |
| C9 | C8 | O2 | H22 | 68.9° | 67.3° |
| C8 | C9 | O3 | H23 | 65.6° | 61.5° |
| O6 | P1 | O5 | O8 | 118.8° | 120.0° |
| O6 | P1 | O5 | O7 | 119.8° | 120.0° |
| O6 | P1 | O8 | O7 | 120.2° | 120.0° |
| O6 | P1 | O8 | C2 | 163.8° | 55.0° |
| O6 | P1 | O7 | H24 | 0.0° | 180.0° |
| O5 | P1 | O8 | O7 | 120.4° | 120.0° |
| O5 | P1 | O8 | C2 | 76.8° | 175.0° |
| P1 | O5 | C13 | H17 | 63.5° | 60.0° |
| P1 | O5 | C13 | H18 | 56.8° | 60.0° |
| O5 | P1 | O7 | H24 | 119.5° | 60.0° |
| O2 | C8 | C6 | H12 | 38.3° | 36.6° |
| O2 | C8 | C9 | H15 | 82.6° | 102.2° |
| P1 | O8 | C2 | C1 | 178.1° | 180.0° |
| P1 | O8 | C2 | O1 | 2.8° | 0.0° |
| O8 | P1 | O7 | H24 | 119.4° | 60.0° |
| O7 | P1 | O8 | C2 | 43.6° | 65.0° |
| C5 | C3 | C1 | N1 | 76.6° | 60.0° |
| C5 | C3 | C1 | C2 | 44.9° | 180.0° |
| C5 | C3 | C1 | C4 | 123.0° | 120.0° |
| C5 | C3 | C1 | H5 | 118.4° | 120.0° |
| C5 | C3 | C4 | H5 | 116.6° | 120.0° |
| C5 | C3 | C1 | H4 | 163.8° | 60.0° |
| C5 | C3 | C4 | H6 | 180.0° | 60.0° |
| C5 | C3 | C4 | H7 | 60.0° | 180.0° |
| C5 | C3 | C4 | H8 | 60.0° | 60.0° |
| C3 | C5 | H9 | H10 | 120.0° | 120.0° |
| C3 | C5 | H9 | H11 | 120.0° | 119.9° |
| C3 | C5 | H10 | H11 | 120.0° | 119.9° |
| O8 | C2 | C1 | N1 | 14.9° | 160.0° |
| O8 | C2 | C1 | O1 | 179.0° | 180.0° |
| O8 | C2 | C1 | C3 | 106.8° | 80.0° |
| O8 | C2 | C1 | H4 | 133.9° | 40.0° |
| N1 | C1 | C2 | C3 | 121.7° | 120.0° |
| N1 | C1 | C2 | H4 | 119.0° | 120.0° |
| N1 | C1 | C2 | O1 | 164.2° | 20.0° |
| N1 | C1 | C3 | H4 | 119.5° | 120.0° |
| N1 | C1 | C3 | C4 | 46.4° | 180.0° |
| C1 | N1 | H1 | H2 | 120.0° | 123.8° |
| N1 | C1 | C3 | H5 | 164.9° | 60.0° |
| C2 | C1 | C3 | H4 | 118.9° | 120.0° |
| C2 | C1 | C3 | C4 | 167.9° | 60.0° |
| C2 | C1 | N1 | H1 | 180.0° | 63.9° |
| C2 | C1 | N1 | H2 | 60.0° | 59.9° |
| C2 | C1 | C3 | H5 | 73.5° | 60.0° |
| O1 | C2 | C1 | C3 | 74.1° | 100.0° |
| O1 | C2 | C1 | H4 | 45.1° | 140.0° |
| C1 | C3 | C4 | H5 | 119.2° | 120.0° |
| C3 | C1 | N1 | H1 | 57.6° | 176.1° |
| C3 | C1 | N1 | H2 | 177.7° | 60.0° |
| C1 | C3 | C4 | H6 | 55.8° | 180.0° |
| C1 | C3 | C4 | H7 | 64.2° | 60.1° |
| C1 | C3 | C4 | H8 | 175.8° | 60.0° |
| C1 | C3 | C5 | H9 | 180.0° | 60.0° |
| C1 | C3 | C5 | H10 | 60.0° | 180.0° |
| C1 | C3 | C5 | H11 | 60.0° | 60.0° |
| C4 | C3 | C1 | H4 | 73.2° | 59.9° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | C3 | C5 | H9 | 56.5° | 180.0° |
| C4 | C3 | C5 | H10 | 63.5° | 60.0° |
| C4 | C3 | C5 | H11 | 176.5° | 60.0° |
| H1 | N1 | C1 | H4 | 61.6° | 56.1° |
| H2 | N1 | C1 | H4 | 58.4° | 179.9° |
| H4 | C1 | C3 | H5 | 45.4° | NaN° |
| H5 | C3 | C4 | H6 | 63.4° | 60.0° |
| H5 | C3 | C4 | H7 | 176.6° | 60.0° |
| H5 | C3 | C4 | H8 | 56.6° | 180.0° |
| H5 | C3 | C5 | H9 | 60.5° | 60.0° |
| H5 | C3 | C5 | H10 | 179.5° | 60.0° |
| H5 | C3 | C5 | H11 | 59.5° | 180.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.1° |
| H9 | C5 | H10 | H11 | 120.0° | 120.0° |
| H12 | C6 | C8 | H14 | 165.0° | 160.1° |
| H14 | C8 | C9 | H15 | 44.0° | 21.4° |
| H14 | C8 | O2 | H22 | 55.6° | 56.4° |
| H15 | C9 | C11 | H16 | 101.0° | 123.8° |
| H15 | C9 | O3 | H23 | 54.7° | 61.0° |
| H16 | C11 | C13 | H17 | 36.8° | 66.0° |
| H16 | C11 | C13 | H18 | 83.5° | 174.0° |
