IZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | O5 | sing | 1.36Å | 1.36Å | |
| N3 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| O5 | C6 | sing | 1.43Å | 1.49Å | |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | N10 | sing | 1.40Å | 1.39Å | |
| C8 | N13 | sing | 1.39Å | 1.41Å | |
| C9 | N10 | sing | 1.35Å | 1.40Å | |
| C9 | O11 | doub | 1.22Å | 1.25Å | |
| C9 | C12 | sing | 1.46Å | 1.45Å | |
| C12 | N13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | C18 | sing | 1.48Å | 1.47Å | |
| N15 | C16 | sing | 1.33Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.48Å | |
| C18 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | CL24 | sing | 1.74Å | 1.69Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 115.4° | 119.3° |
| C1 | C2 | N3 | 125.5° | 120.9° |
| C1 | C2 | O5 | 115.7° | 119.5° |
| C2 | C1 | H1 | 122.3° | 120.4° |
| C1 | C4 | C7 | 121.2° | 118.5° |
| C4 | C1 | H1 | 122.3° | 120.3° |
| C1 | C4 | H2 | 119.4° | 120.8° |
| N3 | C2 | O5 | 118.8° | 119.5° |
| C2 | N3 | C8 | 117.4° | 121.8° |
| C2 | O5 | C6 | 116.6° | 117.0° |
| N3 | C8 | C7 | 122.4° | 120.3° |
| N3 | C8 | N13 | 117.6° | 119.8° |
| C4 | C7 | C8 | 118.0° | 119.2° |
| C4 | C7 | N10 | 121.5° | 119.8° |
| C7 | C4 | H2 | 119.4° | 120.7° |
| O5 | C6 | H3 | 109.5° | 109.4° |
| O5 | C6 | H4 | 109.4° | 109.5° |
| O5 | C6 | H5 | 109.5° | 109.4° |
| C8 | C7 | N10 | 120.5° | 120.9° |
| C7 | C8 | N13 | 120.0° | 119.9° |
| C7 | N10 | C9 | 121.4° | 120.4° |
| C7 | N10 | H6 | 119.3° | 119.7° |
| C8 | N13 | C12 | 118.7° | 119.7° |
| C8 | N13 | C14 | 133.8° | 133.5° |
| N10 | C9 | O11 | 120.1° | 120.3° |
| N10 | C9 | C12 | 116.6° | 119.4° |
| C9 | N10 | H6 | 119.3° | 119.8° |
| O11 | C9 | C12 | 123.1° | 120.3° |
| C9 | C12 | N13 | 121.8° | 119.6° |
| C9 | C12 | C16 | 132.1° | 133.8° |
| N13 | C12 | C16 | 106.1° | 106.6° |
| C12 | N13 | C14 | 107.2° | 106.8° |
| C12 | C16 | N15 | 108.6° | 107.9° |
| C12 | C16 | C17 | 127.5° | 126.1° |
| N13 | C14 | N15 | 109.9° | 108.9° |
| N13 | C14 | C18 | 128.3° | 125.5° |
| N15 | C14 | C18 | 121.8° | 125.6° |
| C14 | N15 | C16 | 108.1° | 109.8° |
| C14 | C18 | C19 | 119.0° | 120.1° |
| C14 | C18 | C23 | 121.1° | 120.2° |
| N15 | C16 | C17 | 123.9° | 126.0° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.6° |
| C16 | C17 | H9 | 109.5° | 109.5° |
| C19 | C18 | C23 | 119.8° | 119.7° |
| C18 | C19 | C20 | 116.5° | 119.8° |
| C18 | C19 | H10 | 121.7° | 120.1° |
| C18 | C23 | C22 | 123.6° | 119.8° |
| C18 | C23 | CL24 | 118.9° | 120.1° |
| C19 | C20 | C21 | 124.0° | 120.2° |
| C20 | C19 | H10 | 121.8° | 120.1° |
| C19 | C20 | H11 | 118.0° | 119.9° |
| C20 | C21 | C22 | 120.2° | 120.3° |
| C21 | C20 | H11 | 118.0° | 119.9° |
| C20 | C21 | H12 | 119.9° | 119.9° |
| C21 | C22 | C23 | 115.6° | 120.2° |
| C22 | C21 | H12 | 119.9° | 119.9° |
| C21 | C22 | H13 | 122.2° | 119.9° |
| C22 | C23 | CL24 | 117.5° | 120.1° |
| C23 | C22 | H13 | 122.2° | 119.9° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.4° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.4° | 109.4° |
| H7 | C17 | H9 | 109.4° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | C2 | N3 | O5 | 179.4° | 180.0° |
| C1 | C2 | N3 | C8 | 0.3° | 0.0° |
| C2 | C1 | C4 | C7 | 3.8° | 0.0° |
| C1 | C2 | O5 | C6 | 175.2° | 175.0° |
| C2 | C1 | C4 | H2 | 176.2° | 180.0° |
| C4 | C1 | C2 | N3 | 1.9° | 0.0° |
| C4 | C1 | C2 | O5 | 177.5° | 180.0° |
| C1 | C4 | C7 | H2 | 180.0° | 180.0° |
| C1 | C4 | C7 | C8 | 4.0° | 0.0° |
| C1 | C4 | C7 | N10 | 177.0° | 180.0° |
| N3 | C2 | O5 | C6 | 5.3° | 5.0° |
| C2 | N3 | C8 | C7 | 0.5° | 0.0° |
| C2 | N3 | C8 | N13 | 177.3° | 180.0° |
| N3 | C2 | C1 | H1 | 178.0° | 179.7° |
| O5 | C2 | N3 | C8 | 179.0° | 180.0° |
| O5 | C2 | C1 | H1 | 2.6° | 0.3° |
| C2 | O5 | C6 | H3 | 180.0° | 66.3° |
| C2 | O5 | C6 | H4 | 60.0° | 53.8° |
| C2 | O5 | C6 | H5 | 60.0° | 173.8° |
| N3 | C8 | C7 | C4 | 2.3° | 0.0° |
| N3 | C8 | C7 | N13 | 176.7° | 180.0° |
| N3 | C8 | C7 | N10 | 178.7° | 180.0° |
| N3 | C8 | N13 | C12 | 171.3° | 180.0° |
| N3 | C8 | N13 | C14 | 1.9° | 0.0° |
| C4 | C7 | C8 | N10 | 179.0° | 180.0° |
| C4 | C7 | C8 | N13 | 179.0° | 180.0° |
| C4 | C7 | N10 | C9 | 170.6° | 180.0° |
| C7 | C4 | C1 | H1 | 176.2° | 179.7° |
| C4 | C7 | N10 | H6 | 9.4° | 0.0° |
| O5 | C6 | H3 | H4 | 120.0° | 120.0° |
| O5 | C6 | H3 | H5 | 120.0° | 119.9° |
| O5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C8 | C7 | N10 | C9 | 10.5° | 0.0° |
| C7 | C8 | N13 | C12 | 5.5° | 0.0° |
| C7 | C8 | N13 | C14 | 178.7° | 180.0° |
| C8 | C7 | C4 | H2 | 176.0° | 180.0° |
| C8 | C7 | N10 | H6 | 169.5° | 179.9° |
| N10 | C7 | C8 | N13 | 2.0° | 0.0° |
| C7 | N10 | C9 | H6 | 180.0° | 179.9° |
| C7 | N10 | C9 | O11 | 165.5° | 180.0° |
| C7 | N10 | C9 | C12 | 10.7° | 0.0° |
| N10 | C7 | C4 | H2 | 3.0° | 0.0° |
| C8 | N13 | C12 | C9 | 5.0° | 0.0° |
| C8 | N13 | C12 | C14 | 174.9° | 180.0° |
| C8 | N13 | C12 | C16 | 173.1° | 180.0° |
| C8 | N13 | C14 | N15 | 172.6° | 180.0° |
| C8 | N13 | C14 | C18 | 8.6° | 0.1° |
| N10 | C9 | O11 | C12 | 175.9° | 179.9° |
| N10 | C9 | C12 | N13 | 2.9° | 0.1° |
| N10 | C9 | C12 | C16 | 179.5° | 180.0° |
| O11 | C9 | C12 | N13 | 173.1° | 180.0° |
| O11 | C9 | C12 | C16 | 4.5° | 0.1° |
| O11 | C9 | N10 | H6 | 14.5° | 0.1° |
| C9 | C12 | N13 | C16 | 178.1° | 180.0° |
| C9 | C12 | N13 | C14 | 179.8° | 179.9° |
| C9 | C12 | C16 | N15 | 179.6° | 179.9° |
| C9 | C12 | C16 | C17 | 1.9° | 0.1° |
| C12 | C9 | N10 | H6 | 169.3° | 180.0° |
| C12 | N13 | C14 | N15 | 1.1° | 0.0° |
| C12 | N13 | C14 | C18 | 177.6° | 180.0° |
| N13 | C12 | C16 | N15 | 1.8° | 0.0° |
| N13 | C12 | C16 | C17 | 179.7° | 179.9° |
| C16 | C12 | N13 | C14 | 1.8° | 0.0° |
| C12 | C16 | N15 | C14 | 1.1° | 0.0° |
| C12 | C16 | N15 | C17 | 178.6° | 179.9° |
| C12 | C16 | C17 | H7 | 178.3° | 90.0° |
| C12 | C16 | C17 | H8 | 58.3° | 150.0° |
| C12 | C16 | C17 | H9 | 61.7° | 29.9° |
| N13 | C14 | N15 | C18 | 178.9° | 179.9° |
| N13 | C14 | N15 | C16 | 0.0° | 0.0° |
| N13 | C14 | C18 | C19 | 110.2° | 56.9° |
| N13 | C14 | C18 | C23 | 73.8° | 123.4° |
| C14 | N15 | C16 | C17 | 179.7° | 179.9° |
| N15 | C14 | C18 | C19 | 71.2° | 123.2° |
| N15 | C14 | C18 | C23 | 104.8° | 56.5° |
| C18 | C14 | N15 | C16 | 178.9° | 179.9° |
| C14 | C18 | C19 | C23 | 176.0° | 179.7° |
| C14 | C18 | C19 | C20 | 179.9° | 180.0° |
| C14 | C18 | C23 | C22 | 179.2° | 179.8° |
| C14 | C18 | C23 | CL24 | 1.7° | 0.0° |
| C14 | C18 | C19 | H10 | 0.0° | 0.1° |
| N15 | C16 | C17 | H7 | 0.0° | 90.1° |
| N15 | C16 | C17 | H8 | 120.0° | 29.9° |
| N15 | C16 | C17 | H9 | 120.0° | 149.9° |
| C16 | C17 | H7 | H8 | 120.0° | 120.1° |
| C16 | C17 | H7 | H9 | 120.0° | 120.0° |
| C16 | C17 | H8 | H9 | 120.0° | 120.0° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 4.9° | 0.0° |
| C19 | C18 | C23 | C22 | 3.3° | 0.5° |
| C19 | C18 | C23 | CL24 | 177.6° | 179.7° |
| C18 | C19 | C20 | H11 | 175.1° | 180.0° |
| C23 | C18 | C19 | C20 | 4.0° | 0.3° |
| C18 | C23 | C22 | C21 | 2.9° | 0.5° |
| C18 | C23 | C22 | CL24 | 179.1° | 179.8° |
| C23 | C18 | C19 | H10 | 176.0° | 179.8° |
| C18 | C23 | C22 | H13 | 177.1° | 179.7° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 4.8° | 0.0° |
| C19 | C20 | C21 | H12 | 175.3° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 3.4° | 0.2° |
| C21 | C20 | C19 | H10 | 175.1° | 180.0° |
| C20 | C21 | C22 | H13 | 176.5° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 179.8° |
| C21 | C22 | C23 | CL24 | 178.1° | 179.7° |
| C22 | C21 | C20 | H11 | 175.3° | 180.0° |
| C23 | C22 | C21 | H12 | 176.6° | 179.8° |
| CL24 | C23 | C22 | H13 | 2.0° | 0.1° |
| H1 | C1 | C4 | H2 | 3.8° | 0.3° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H7 | C17 | H8 | H9 | 120.0° | 119.9° |
| H10 | C19 | C20 | H11 | 4.9° | 0.1° |
| H11 | C20 | C21 | H12 | 4.7° | 0.1° |
| H12 | C21 | C22 | H13 | 3.5° | 0.0° |
