704
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| N18 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| N25 | C20 | doub | 1.33Å | 1.32Å | Aromatic |
| N25 | C24 | sing | 1.32Å | 1.32Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.36Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.47Å | 1.47Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.48Å | 1.46Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | CL1 | sing | 1.74Å | 1.72Å | |
| N13 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | N15 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| N15 | C10 | doub | 1.33Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | F27 | sing | 1.35Å | 1.34Å | |
| C10 | N9 | sing | 1.39Å | 1.38Å | |
| C7 | N6 | sing | 1.46Å | 1.47Å | |
| O5 | C4 | doub | 1.21Å | 1.23Å | |
| N6 | C4 | sing | 1.35Å | 1.37Å | |
| N6 | C8 | sing | 1.47Å | 1.48Å | |
| N9 | C2 | sing | 1.47Å | 1.46Å | |
| C4 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N9 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| N18 | H14 | sing | 0.97Å | 1.00Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N18 | C17 | 110.7° | 110.4° |
| N18 | C20 | N25 | 131.8° | 133.0° |
| N18 | C20 | C21 | 107.0° | 107.3° |
| C20 | N18 | H14 | 124.6° | 124.8° |
| N18 | C17 | C16 | 109.2° | 109.8° |
| N18 | C17 | H13 | 125.4° | 125.1° |
| C17 | N18 | H14 | 124.7° | 124.8° |
| C20 | N25 | C24 | 120.3° | 121.7° |
| N25 | C20 | C21 | 121.2° | 119.8° |
| N25 | C24 | C23 | 121.1° | 121.6° |
| N25 | C24 | H16 | 119.5° | 119.2° |
| C20 | C21 | C16 | 106.1° | 106.1° |
| C20 | C21 | C22 | 119.4° | 119.6° |
| C17 | C16 | C21 | 107.1° | 106.5° |
| C17 | C16 | C14 | 125.1° | 126.7° |
| C16 | C17 | H13 | 125.4° | 125.1° |
| C24 | C23 | C22 | 120.9° | 119.3° |
| C24 | C23 | CL1 | 120.0° | 120.3° |
| C23 | C24 | H16 | 119.4° | 119.2° |
| C16 | C21 | C22 | 134.5° | 134.3° |
| C21 | C16 | C14 | 127.8° | 126.7° |
| C21 | C22 | C23 | 116.9° | 118.0° |
| C21 | C22 | H15 | 121.5° | 121.0° |
| C16 | C14 | N13 | 117.7° | 119.2° |
| C16 | C14 | N15 | 119.9° | 119.2° |
| C22 | C23 | CL1 | 118.8° | 120.4° |
| C23 | C22 | H15 | 121.6° | 120.9° |
| C14 | N13 | C12 | 121.1° | 120.9° |
| N13 | C14 | N15 | 122.1° | 121.6° |
| N13 | C12 | C11 | 118.5° | 119.3° |
| N13 | C12 | H12 | 120.8° | 120.4° |
| C14 | N15 | C10 | 119.7° | 120.6° |
| C12 | C11 | C10 | 119.2° | 118.5° |
| C12 | C11 | F27 | 122.1° | 120.8° |
| C11 | C12 | H12 | 120.8° | 120.3° |
| N15 | C10 | C11 | 119.4° | 119.0° |
| N15 | C10 | N9 | 123.3° | 120.5° |
| C10 | C11 | F27 | 118.7° | 120.8° |
| C11 | C10 | N9 | 117.3° | 120.5° |
| C10 | N9 | C2 | 121.7° | 120.0° |
| C10 | N9 | H11 | 106.3° | 120.0° |
| C7 | N6 | C4 | 120.1° | 120.0° |
| C7 | N6 | C8 | 117.3° | 120.1° |
| N6 | C7 | H5 | 109.5° | 109.5° |
| N6 | C7 | H6 | 109.4° | 109.4° |
| N6 | C7 | H7 | 109.4° | 109.5° |
| O5 | C4 | N6 | 120.7° | 120.0° |
| O5 | C4 | C2 | 118.0° | 120.0° |
| C4 | N6 | C8 | 122.7° | 120.0° |
| N6 | C4 | C2 | 121.4° | 120.0° |
| N6 | C8 | H8 | 109.5° | 109.5° |
| N6 | C8 | H9 | 109.5° | 109.4° |
| N6 | C8 | H10 | 109.5° | 109.4° |
| N9 | C2 | C4 | 109.9° | 109.5° |
| N9 | C2 | C1 | 106.3° | 109.4° |
| N9 | C2 | H4 | 111.1° | 109.5° |
| C2 | N9 | H11 | 106.4° | 120.0° |
| C4 | C2 | C1 | 109.1° | 109.5° |
| C4 | C2 | H4 | 110.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C1 | C2 | H4 | 110.1° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H5 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | N18 | C17 | H14 | 180.0° | 179.7° |
| N18 | C20 | N25 | C21 | 179.4° | 179.7° |
| N18 | C20 | N25 | C24 | 179.2° | 179.8° |
| C20 | N18 | C17 | C16 | 1.2° | 0.0° |
| N18 | C20 | C21 | C16 | 0.0° | 0.4° |
| N18 | C20 | C21 | C22 | 178.6° | 180.0° |
| C20 | N18 | C17 | H13 | 178.8° | 180.0° |
| C17 | N18 | C20 | N25 | 179.8° | 180.0° |
| C17 | N18 | C20 | C21 | 0.7° | 0.3° |
| N18 | C17 | C16 | H13 | 180.0° | 180.0° |
| N18 | C17 | C16 | C21 | 1.1° | 0.2° |
| N18 | C17 | C16 | C14 | 179.5° | 180.0° |
| C20 | N25 | C24 | C23 | 4.5° | 0.4° |
| N25 | C20 | C21 | C16 | 179.5° | 179.8° |
| N25 | C20 | C21 | C22 | 1.0° | 0.3° |
| N25 | C20 | N18 | H14 | 0.2° | 0.3° |
| C20 | N25 | C24 | H16 | 175.5° | 179.8° |
| C24 | N25 | C20 | C21 | 1.4° | 0.5° |
| N25 | C24 | C23 | H16 | 180.0° | 179.8° |
| N25 | C24 | C23 | C22 | 5.2° | 0.2° |
| N25 | C24 | C23 | CL1 | 178.3° | 179.8° |
| C20 | C21 | C16 | C17 | 0.7° | 0.4° |
| C20 | C21 | C16 | C22 | 178.2° | 179.5° |
| C20 | C21 | C16 | C14 | 179.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C20 | N18 | H14 | 179.3° | 180.0° |
| C20 | C21 | C22 | H15 | 179.8° | 180.0° |
| C17 | C16 | C21 | C14 | 178.3° | 179.7° |
| C17 | C16 | C21 | C22 | 178.9° | 179.9° |
| C17 | C16 | C14 | N13 | 10.1° | 180.0° |
| C17 | C16 | C14 | N15 | 164.1° | 0.2° |
| C16 | C17 | N18 | H14 | 178.8° | 179.7° |
| C24 | C23 | C22 | C21 | 2.7° | 0.0° |
| C24 | C23 | C22 | CL1 | 173.2° | 179.9° |
| C24 | C23 | C22 | H15 | 177.3° | 180.0° |
| C16 | C21 | C22 | C23 | 178.3° | 179.4° |
| C21 | C16 | C14 | N13 | 171.9° | 0.3° |
| C21 | C16 | C14 | N15 | 13.9° | 179.9° |
| C21 | C16 | C17 | H13 | 178.9° | 179.7° |
| C16 | C21 | C22 | H15 | 1.7° | 0.5° |
| C22 | C21 | C16 | C14 | 2.8° | 0.4° |
| C21 | C22 | C23 | H15 | 180.0° | 180.0° |
| C21 | C22 | C23 | CL1 | 175.9° | 180.0° |
| C16 | C14 | N13 | N15 | 174.0° | 179.8° |
| C16 | C14 | N13 | C12 | 176.0° | 180.0° |
| C16 | C14 | N15 | C10 | 175.8° | 179.7° |
| C14 | C16 | C17 | H13 | 0.5° | 0.0° |
| C22 | C23 | C24 | H16 | 174.8° | 180.0° |
| CL1 | C23 | C22 | H15 | 4.1° | 0.1° |
| CL1 | C23 | C24 | H16 | 1.7° | 0.1° |
| C14 | N13 | C12 | C11 | 0.0° | 0.0° |
| N13 | C14 | N15 | C10 | 2.0° | 0.5° |
| C14 | N13 | C12 | H12 | 180.0° | 180.0° |
| C12 | N13 | C14 | N15 | 2.0° | 0.3° |
| N13 | C12 | C11 | H12 | 180.0° | 180.0° |
| N13 | C12 | C11 | C10 | 1.9° | 0.0° |
| N13 | C12 | C11 | F27 | 179.6° | 180.0° |
| C14 | N15 | C10 | C11 | 0.0° | 0.5° |
| C14 | N15 | C10 | N9 | 178.6° | 179.8° |
| C12 | C11 | C10 | N15 | 1.9° | 0.2° |
| C12 | C11 | C10 | F27 | 178.6° | 180.0° |
| C12 | C11 | C10 | N9 | 176.8° | 180.0° |
| N15 | C10 | C11 | N9 | 178.6° | 179.8° |
| N15 | C10 | C11 | F27 | 179.6° | 179.8° |
| N15 | C10 | N9 | C2 | 10.1° | 0.3° |
| N15 | C10 | N9 | H11 | 131.8° | 179.8° |
| C11 | C10 | N9 | C2 | 168.5° | 180.0° |
| C11 | C10 | N9 | H11 | 46.8° | 0.0° |
| C10 | C11 | C12 | H12 | 178.2° | 180.0° |
| F27 | C11 | C10 | N9 | 1.8° | 0.0° |
| F27 | C11 | C12 | H12 | 0.4° | 0.0° |
| C10 | N9 | C2 | H11 | 121.7° | 179.9° |
| C10 | N9 | C2 | C4 | 80.9° | 155.0° |
| C10 | N9 | C2 | C1 | 161.1° | 85.0° |
| C10 | N9 | C2 | H4 | 41.3° | 35.0° |
| C7 | N6 | C4 | O5 | 0.3° | 180.0° |
| C7 | N6 | C4 | C8 | 179.2° | 180.0° |
| C7 | N6 | C4 | C2 | 179.6° | 0.0° |
| N6 | C7 | H5 | H6 | 120.0° | 119.9° |
| N6 | C7 | H5 | H7 | 120.0° | 120.1° |
| N6 | C7 | H6 | H7 | 120.0° | 120.0° |
| C7 | N6 | C8 | H8 | 180.0° | 180.0° |
| C7 | N6 | C8 | H9 | 60.0° | 60.0° |
| C7 | N6 | C8 | H10 | 60.0° | 60.0° |
| O5 | C4 | N6 | C2 | 179.2° | 180.0° |
| O5 | C4 | N6 | C8 | 179.6° | 0.0° |
| O5 | C4 | C2 | N9 | 22.1° | 0.0° |
| O5 | C4 | C2 | C1 | 94.1° | 120.0° |
| O5 | C4 | C2 | H4 | 144.9° | 120.0° |
| N6 | C4 | C2 | N9 | 158.6° | 180.0° |
| N6 | C4 | C2 | C1 | 85.1° | 60.0° |
| N6 | C4 | C2 | H4 | 35.8° | 60.0° |
| C4 | N6 | C7 | H5 | 180.0° | 90.1° |
| C4 | N6 | C7 | H6 | 60.0° | 150.0° |
| C4 | N6 | C7 | H7 | 60.0° | 30.0° |
| C4 | N6 | C8 | H8 | 0.8° | 0.1° |
| C4 | N6 | C8 | H9 | 120.7° | 120.0° |
| C4 | N6 | C8 | H10 | 119.3° | 120.0° |
| C8 | N6 | C4 | C2 | 1.2° | 180.0° |
| C8 | N6 | C7 | H5 | 0.7° | 90.0° |
| C8 | N6 | C7 | H6 | 120.7° | 29.9° |
| C8 | N6 | C7 | H7 | 119.3° | 150.0° |
| N6 | C8 | H8 | H9 | 120.0° | 120.0° |
| N6 | C8 | H8 | H10 | 120.0° | 119.9° |
| N6 | C8 | H9 | H10 | 120.0° | 119.9° |
| N9 | C2 | C4 | C1 | 116.2° | 120.0° |
| N9 | C2 | C4 | H4 | 122.8° | 120.0° |
| N9 | C2 | C1 | H4 | 120.4° | 120.0° |
| N9 | C2 | C1 | H1 | 180.0° | 60.0° |
| N9 | C2 | C1 | H2 | 60.0° | 60.0° |
| N9 | C2 | C1 | H3 | 60.0° | 180.0° |
| C4 | C2 | C1 | H4 | 121.1° | 120.0° |
| C4 | C2 | C1 | H1 | 61.5° | 180.0° |
| C4 | C2 | C1 | H2 | 178.5° | 60.0° |
| C4 | C2 | C1 | H3 | 58.5° | 60.0° |
| C4 | C2 | N9 | H11 | 157.4° | 24.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | C2 | N9 | H11 | 39.4° | 95.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H1 | C1 | C2 | H4 | 59.6° | 60.0° |
| H2 | C1 | C2 | H4 | 60.4° | 180.0° |
| H3 | C1 | C2 | H4 | 179.6° | 60.0° |
| H4 | C2 | N9 | H11 | 80.3° | 145.0° |
| H5 | C7 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.1° |
| H13 | C17 | N18 | H14 | 1.2° | 0.3° |
