0W7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.41Å | |
| O17 | C14 | doub | 1.21Å | 1.22Å | |
| N15 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C2 | N1 | doub | 1.30Å | 1.35Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.34Å | 1.36Å | |
| C4 | O18 | doub | 1.22Å | 1.25Å | |
| C4 | C5 | sing | 1.40Å | 1.39Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | |
| C6 | N7 | sing | 1.38Å | 1.41Å | |
| C8 | N7 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N7 | C12 | sing | 1.47Å | 1.48Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| N15 | H1 | sing | 0.97Å | 1.00Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 119.8° | 120.1° |
| C22 | C21 | C20 | 119.4° | 120.1° |
| C21 | C22 | H5 | 120.1° | 120.0° |
| C22 | C21 | H6 | 120.3° | 120.0° |
| C22 | C23 | C16 | 121.1° | 119.9° |
| C22 | C23 | H4 | 119.4° | 120.1° |
| C23 | C22 | H5 | 120.1° | 119.9° |
| C21 | C20 | C19 | 120.9° | 120.1° |
| C21 | C20 | H3 | 119.6° | 120.0° |
| C20 | C21 | H6 | 120.3° | 119.9° |
| C23 | C16 | C19 | 118.9° | 119.9° |
| C23 | C16 | N15 | 121.5° | 120.0° |
| C16 | C23 | H4 | 119.4° | 120.0° |
| C20 | C19 | C16 | 119.9° | 119.9° |
| C20 | C19 | H2 | 120.0° | 120.1° |
| C19 | C20 | H3 | 119.6° | 119.9° |
| C19 | C16 | N15 | 119.6° | 120.1° |
| C16 | C19 | H2 | 120.0° | 120.0° |
| C16 | N15 | C14 | 124.1° | 120.0° |
| C16 | N15 | H1 | 118.0° | 120.0° |
| O17 | C14 | N15 | 125.1° | 120.0° |
| O17 | C14 | C13 | 118.7° | 120.0° |
| N15 | C14 | C13 | 116.2° | 120.0° |
| C14 | N15 | H1 | 117.9° | 120.0° |
| C14 | C13 | C2 | 106.0° | 109.5° |
| C14 | C13 | H7 | 110.3° | 109.5° |
| C14 | C13 | H8 | 110.3° | 109.5° |
| C13 | C2 | N3 | 120.7° | 119.1° |
| C13 | C2 | N1 | 118.8° | 119.1° |
| C2 | C13 | H7 | 110.3° | 109.5° |
| C2 | C13 | H8 | 110.3° | 109.5° |
| N3 | C2 | N1 | 120.4° | 121.7° |
| C2 | N3 | C4 | 120.2° | 120.3° |
| C2 | N3 | H9 | 119.9° | 119.9° |
| C2 | N1 | C6 | 121.2° | 121.3° |
| N3 | C4 | O18 | 120.8° | 120.6° |
| N3 | C4 | C5 | 120.0° | 118.8° |
| C4 | N3 | H9 | 119.9° | 119.9° |
| N1 | C6 | C5 | 119.0° | 119.5° |
| N1 | C6 | N7 | 120.8° | 120.2° |
| O18 | C4 | C5 | 119.3° | 120.6° |
| C4 | C5 | C6 | 119.1° | 118.4° |
| C4 | C5 | H10 | 120.4° | 120.8° |
| C5 | C6 | N7 | 120.2° | 120.3° |
| C6 | C5 | H10 | 120.5° | 120.7° |
| C6 | N7 | C8 | 110.7° | 121.0° |
| C6 | N7 | C12 | 110.9° | 121.0° |
| N7 | C8 | C9 | 110.0° | 108.4° |
| C8 | N7 | C12 | 110.9° | 118.0° |
| N7 | C8 | H11 | 109.3° | 109.7° |
| N7 | C8 | H12 | 109.3° | 109.7° |
| C8 | C9 | O10 | 110.0° | 109.2° |
| C9 | C8 | H11 | 109.3° | 109.7° |
| C9 | C8 | H12 | 109.3° | 109.7° |
| C8 | C9 | H17 | 109.3° | 109.5° |
| C8 | C9 | H18 | 109.3° | 109.6° |
| N7 | C12 | C11 | 110.3° | 108.4° |
| N7 | C12 | H13 | 109.3° | 109.7° |
| N7 | C12 | H14 | 109.3° | 109.6° |
| C9 | O10 | C11 | 113.6° | 114.3° |
| O10 | C9 | H17 | 109.3° | 109.4° |
| O10 | C9 | H18 | 109.3° | 109.6° |
| C12 | C11 | O10 | 109.8° | 109.2° |
| C11 | C12 | H13 | 109.3° | 109.7° |
| C11 | C12 | H14 | 109.3° | 109.7° |
| C12 | C11 | H15 | 109.4° | 109.5° |
| C12 | C11 | H16 | 109.4° | 109.5° |
| O10 | C11 | H15 | 109.4° | 109.5° |
| O10 | C11 | H16 | 109.4° | 109.6° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.7° |
| H13 | C12 | H14 | 109.5° | 109.7° |
| H15 | C11 | H16 | 109.5° | 109.6° |
| H17 | C9 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H5 | 180.0° | 179.2° |
| C22 | C21 | C20 | H6 | 180.0° | 179.3° |
| C21 | C22 | C23 | C16 | 0.1° | 0.5° |
| C22 | C21 | C20 | C19 | 0.4° | 0.5° |
| C22 | C21 | C20 | H3 | 179.6° | 179.5° |
| C21 | C22 | C23 | H4 | 179.9° | 179.5° |
| C23 | C22 | C21 | C20 | 0.3° | 0.8° |
| C22 | C23 | C16 | H4 | 180.0° | 179.9° |
| C22 | C23 | C16 | C19 | 0.0° | 0.1° |
| C22 | C23 | C16 | N15 | 179.9° | 179.7° |
| C23 | C22 | C21 | H6 | 179.7° | 179.9° |
| C21 | C20 | C19 | H3 | 180.0° | 180.0° |
| C21 | C20 | C19 | C16 | 0.3° | 0.0° |
| C21 | C20 | C19 | H2 | 179.7° | 180.0° |
| C20 | C21 | C22 | H5 | 179.7° | 180.0° |
| C23 | C16 | C19 | C20 | 0.1° | 0.2° |
| C23 | C16 | C19 | N15 | 179.9° | 179.8° |
| C23 | C16 | N15 | C14 | 0.3° | 145.1° |
| C23 | C16 | N15 | H1 | 179.7° | 34.9° |
| C23 | C16 | C19 | H2 | 179.9° | 179.8° |
| C16 | C23 | C22 | H5 | 179.9° | 179.8° |
| C20 | C19 | C16 | H2 | 180.0° | 180.0° |
| C20 | C19 | C16 | N15 | 179.8° | 180.0° |
| C19 | C20 | C21 | H6 | 179.6° | 179.8° |
| C19 | C16 | N15 | C14 | 179.7° | 35.2° |
| C19 | C16 | N15 | H1 | 0.3° | 144.9° |
| C16 | C19 | C20 | H3 | 179.7° | 180.0° |
| C19 | C16 | C23 | H4 | 180.0° | 180.0° |
| C16 | N15 | C14 | O17 | 0.7° | 4.3° |
| C16 | N15 | C14 | H1 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 179.5° | 176.0° |
| N15 | C16 | C19 | H2 | 0.2° | 0.0° |
| N15 | C16 | C23 | H4 | 0.1° | 0.2° |
| O17 | C14 | N15 | C13 | 178.8° | 179.7° |
| O17 | C14 | C13 | C2 | 81.5° | 0.0° |
| O17 | C14 | N15 | H1 | 179.3° | 175.8° |
| O17 | C14 | C13 | H7 | 38.0° | 120.0° |
| O17 | C14 | C13 | H8 | 159.1° | 120.0° |
| N15 | C14 | C13 | C2 | 97.4° | 179.7° |
| N15 | C14 | C13 | H7 | 143.1° | 60.3° |
| N15 | C14 | C13 | H8 | 22.0° | 59.7° |
| C14 | C13 | C2 | H7 | 119.4° | 120.0° |
| C14 | C13 | C2 | H8 | 119.5° | 120.0° |
| C14 | C13 | C2 | N3 | 102.8° | 180.0° |
| C14 | C13 | C2 | N1 | 76.3° | 0.3° |
| C13 | C14 | N15 | H1 | 0.5° | 3.9° |
| C14 | C13 | H7 | H8 | 121.6° | 120.0° |
| C13 | C2 | N3 | N1 | 179.0° | 179.8° |
| C13 | C2 | N3 | C4 | 179.6° | 180.0° |
| C13 | C2 | N1 | C6 | 179.8° | 179.8° |
| C2 | C13 | H7 | H8 | 121.6° | 120.0° |
| C13 | C2 | N3 | H9 | 0.4° | 0.0° |
| C2 | N3 | C4 | H9 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.7° | 0.5° |
| C2 | N3 | C4 | O18 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.4° | 0.1° |
| N3 | C2 | C13 | H7 | 16.6° | 60.0° |
| N3 | C2 | C13 | H8 | 137.7° | 60.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.2° |
| C2 | N1 | C6 | C5 | 0.7° | 0.5° |
| C2 | N1 | C6 | N7 | 180.0° | 180.0° |
| N1 | C2 | C13 | H7 | 164.3° | 120.3° |
| N1 | C2 | C13 | H8 | 43.2° | 119.8° |
| N1 | C2 | N3 | H9 | 179.4° | 179.8° |
| N3 | C4 | O18 | C5 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | H10 | 179.7° | 179.9° |
| N1 | C6 | C5 | C4 | 0.5° | 0.2° |
| N1 | C6 | C5 | N7 | 179.3° | 179.5° |
| N1 | C6 | N7 | C8 | 5.3° | 35.0° |
| N1 | C6 | N7 | C12 | 128.9° | 145.4° |
| N1 | C6 | C5 | H10 | 179.5° | 179.8° |
| O18 | C4 | C5 | C6 | 180.0° | 180.0° |
| O18 | C4 | N3 | H9 | 0.0° | 0.0° |
| O18 | C4 | C5 | H10 | 0.0° | 0.1° |
| C4 | C5 | C6 | H10 | 180.0° | 179.9° |
| C4 | C5 | C6 | N7 | 179.8° | 179.7° |
| C5 | C4 | N3 | H9 | 179.6° | 180.0° |
| C5 | C6 | N7 | C8 | 175.4° | 145.6° |
| C5 | C6 | N7 | C12 | 51.9° | 34.1° |
| C6 | N7 | C8 | C12 | 123.6° | 179.7° |
| C6 | N7 | C8 | C9 | 179.8° | 129.5° |
| C6 | N7 | C12 | C11 | 179.7° | 129.5° |
| N7 | C6 | C5 | H10 | 0.3° | 0.4° |
| C6 | N7 | C8 | H11 | 59.7° | 9.8° |
| C6 | N7 | C8 | H12 | 60.1° | 110.8° |
| C6 | N7 | C12 | H13 | 60.2° | 110.8° |
| C6 | N7 | C12 | H14 | 59.6° | 9.8° |
| N7 | C8 | C9 | H11 | 120.1° | 119.7° |
| N7 | C8 | C9 | H12 | 120.1° | 119.7° |
| N7 | C8 | C9 | O10 | 55.9° | 52.2° |
| C8 | N7 | C12 | C11 | 56.3° | 50.9° |
| N7 | C8 | H11 | H12 | 119.8° | 120.6° |
| C8 | N7 | C12 | H13 | 176.4° | 68.9° |
| C8 | N7 | C12 | H14 | 63.9° | 170.5° |
| N7 | C8 | C9 | H17 | 175.9° | 67.6° |
| N7 | C8 | C9 | H18 | 64.2° | 172.2° |
| C9 | C8 | N7 | C12 | 56.2° | 50.8° |
| C8 | C9 | O10 | H17 | 120.1° | 119.9° |
| C8 | C9 | O10 | H18 | 120.1° | 120.0° |
| C8 | C9 | O10 | C11 | 58.0° | 62.3° |
| C9 | C8 | H11 | H12 | 119.7° | 120.5° |
| C8 | C9 | H17 | H18 | 119.7° | 120.2° |
| N7 | C12 | C11 | H13 | 120.1° | 119.8° |
| N7 | C12 | C11 | H14 | 120.1° | 119.7° |
| N7 | C12 | C11 | O10 | 55.7° | 52.4° |
| C12 | N7 | C8 | H11 | 63.9° | 170.5° |
| C12 | N7 | C8 | H12 | 176.3° | 68.9° |
| N7 | C12 | H13 | H14 | 119.6° | 120.5° |
| N7 | C12 | C11 | H15 | 64.4° | 172.2° |
| N7 | C12 | C11 | H16 | 175.7° | 67.6° |
| C9 | O10 | C11 | C12 | 57.8° | 62.3° |
| O10 | C9 | C8 | H11 | 64.2° | 171.9° |
| O10 | C9 | C8 | H12 | 175.9° | 67.5° |
| C9 | O10 | C11 | H15 | 62.2° | 177.8° |
| C9 | O10 | C11 | H16 | 177.9° | 57.6° |
| O10 | C9 | H17 | H18 | 119.8° | 120.2° |
| C12 | C11 | O10 | H15 | 120.0° | 119.9° |
| C12 | C11 | O10 | H16 | 120.1° | 119.9° |
| C11 | C12 | H13 | H14 | 119.6° | 120.5° |
| C12 | C11 | H15 | H16 | 119.8° | 120.1° |
| O10 | C11 | C12 | H13 | 175.8° | 67.4° |
| O10 | C11 | C12 | H14 | 64.5° | 172.0° |
| O10 | C11 | H15 | H16 | 119.9° | 120.2° |
| C11 | O10 | C9 | H17 | 178.1° | 57.5° |
| C11 | O10 | C9 | H18 | 62.0° | 177.7° |
| H2 | C19 | C20 | H3 | 0.3° | 0.0° |
| H3 | C20 | C21 | H6 | 0.4° | 0.2° |
| H4 | C23 | C22 | H5 | 0.1° | 0.3° |
| H5 | C22 | C21 | H6 | 0.2° | 0.7° |
| H11 | C8 | C9 | H17 | 55.8° | 52.1° |
| H11 | C8 | C9 | H18 | 175.7° | 68.1° |
| H12 | C8 | C9 | H17 | 64.0° | 172.7° |
| H12 | C8 | C9 | H18 | 55.9° | 52.5° |
| H13 | C12 | C11 | H15 | 55.7° | 52.5° |
| H13 | C12 | C11 | H16 | 64.1° | 172.6° |
| H14 | C12 | C11 | H15 | 175.5° | 68.1° |
| H14 | C12 | C11 | H16 | 55.6° | 52.0° |
