30P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C21 | sing | 1.40Å | 1.49Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| O9 | S7 | doub | 1.42Å | 1.43Å | |
| C28 | C1 | sing | 1.53Å | 1.53Å | |
| O8 | S7 | doub | 1.42Å | 1.44Å | |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C1 | N6 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| S7 | N6 | sing | 1.66Å | 1.52Å | |
| S7 | C10 | sing | 1.76Å | 1.60Å | |
| N6 | C18 | sing | 1.46Å | 1.46Å | |
| C2 | N4 | sing | 1.35Å | 1.33Å | |
| C2 | O3 | doub | 1.21Å | 1.45Å | |
| N4 | O5 | sing | 1.42Å | 1.34Å | |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C17 | sing | 1.51Å | 1.51Å | |
| C13 | F16 | sing | 1.35Å | 1.34Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C21 | C22 | 119.6° | 120.0° |
| N1 | C21 | C20 | 120.4° | 120.1° |
| C21 | N1 | H19 | 109.5° | 120.0° |
| C21 | N1 | H20 | 109.5° | 119.9° |
| C22 | C21 | C20 | 120.0° | 119.9° |
| C21 | C22 | C23 | 119.9° | 119.9° |
| C21 | C22 | H2 | 120.1° | 120.1° |
| C21 | C20 | C19 | 120.3° | 119.9° |
| C21 | C20 | H1 | 119.9° | 120.1° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | H2 | 120.1° | 120.0° |
| C22 | C23 | H3 | 120.0° | 120.0° |
| C20 | C19 | C24 | 119.3° | 120.1° |
| C20 | C19 | C18 | 122.4° | 120.0° |
| C19 | C20 | H1 | 119.8° | 120.0° |
| C23 | C24 | C19 | 120.4° | 120.2° |
| C24 | C23 | H3 | 120.0° | 120.0° |
| C23 | C24 | H4 | 119.8° | 119.9° |
| O9 | S7 | O8 | 110.2° | 123.1° |
| O9 | S7 | N6 | 109.5° | 106.4° |
| O9 | S7 | C10 | 108.6° | 106.4° |
| C28 | C1 | N6 | 112.5° | 109.5° |
| C28 | C1 | C2 | 107.7° | 109.5° |
| C28 | C1 | H7 | 107.3° | 109.5° |
| C1 | C28 | H8 | 109.5° | 109.5° |
| C1 | C28 | H9 | 109.5° | 109.5° |
| C1 | C28 | H10 | 109.5° | 109.5° |
| O8 | S7 | N6 | 109.0° | 106.4° |
| O8 | S7 | C10 | 109.8° | 106.4° |
| C24 | C19 | C18 | 118.3° | 120.0° |
| C19 | C24 | H4 | 119.8° | 119.9° |
| C19 | C18 | N6 | 115.6° | 109.5° |
| C19 | C18 | H5 | 107.9° | 109.4° |
| C19 | C18 | H6 | 107.9° | 109.5° |
| N6 | C1 | C2 | 113.5° | 109.5° |
| C1 | N6 | S7 | 121.5° | 120.0° |
| C1 | N6 | C18 | 116.7° | 120.0° |
| N6 | C1 | H7 | 108.1° | 109.5° |
| C1 | C2 | N4 | 119.6° | 120.0° |
| C1 | C2 | O3 | 123.8° | 120.0° |
| C2 | C1 | H7 | 107.6° | 109.4° |
| N6 | S7 | C10 | 109.6° | 107.2° |
| S7 | N6 | C18 | 121.8° | 120.0° |
| S7 | C10 | C15 | 119.6° | 120.0° |
| S7 | C10 | C11 | 120.6° | 120.0° |
| N6 | C18 | H5 | 107.9° | 109.5° |
| N6 | C18 | H6 | 107.9° | 109.5° |
| N4 | C2 | O3 | 116.6° | 120.0° |
| C2 | N4 | O5 | 117.3° | 120.0° |
| C2 | N4 | H11 | 121.3° | 119.9° |
| O5 | N4 | H11 | 121.4° | 120.0° |
| N4 | O5 | H12 | 109.5° | 114.0° |
| C15 | C10 | C11 | 119.8° | 120.0° |
| C10 | C15 | C14 | 120.1° | 120.1° |
| C10 | C15 | H13 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H15 | 120.0° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C14 | C15 | H13 | 119.9° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | C17 | 120.1° | 120.0° |
| C12 | C11 | H15 | 120.0° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | F16 | 120.1° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C13 | C12 | C17 | 119.9° | 120.0° |
| C12 | C13 | F16 | 119.8° | 120.0° |
| C12 | C17 | H16 | 109.5° | 109.5° |
| C12 | C17 | H17 | 109.5° | 109.4° |
| C12 | C17 | H18 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.4° |
| H8 | C28 | H10 | 109.4° | 109.5° |
| H9 | C28 | H10 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.4° |
| H19 | N1 | H20 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C21 | C22 | C20 | 179.9° | 179.8° |
| N1 | C21 | C22 | C23 | 180.0° | 179.7° |
| N1 | C21 | C20 | C19 | 179.8° | 179.7° |
| N1 | C21 | C20 | H1 | 0.2° | 0.2° |
| N1 | C21 | C22 | H2 | 0.0° | 0.3° |
| C21 | N1 | H19 | H20 | 120.0° | 179.9° |
| C21 | C22 | C23 | H2 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C22 | C21 | C20 | H1 | 179.9° | 180.0° |
| C21 | C22 | C23 | H3 | 179.9° | 180.0° |
| C22 | C21 | N1 | H19 | 180.0° | 5.2° |
| C22 | C21 | N1 | H20 | 60.0° | 175.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | H1 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 0.4° | 0.0° |
| C21 | C20 | C19 | C18 | 179.3° | 180.0° |
| C20 | C21 | C22 | H2 | 179.9° | 180.0° |
| C20 | C21 | N1 | H19 | 0.1° | 175.1° |
| C20 | C21 | N1 | H20 | 120.1° | 4.8° |
| C22 | C23 | C24 | H3 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.4° | 0.0° |
| C22 | C23 | C24 | H4 | 179.5° | 180.0° |
| C20 | C19 | C24 | C23 | 0.6° | 0.0° |
| C20 | C19 | C24 | C18 | 178.9° | 180.0° |
| C20 | C19 | C18 | N6 | 19.8° | 101.4° |
| C20 | C19 | C24 | H4 | 179.4° | 180.0° |
| C20 | C19 | C18 | H5 | 140.7° | 138.6° |
| C20 | C19 | C18 | H6 | 101.1° | 18.6° |
| C23 | C24 | C19 | H4 | 180.0° | 180.0° |
| C23 | C24 | C19 | C18 | 179.5° | 180.0° |
| C24 | C23 | C22 | H2 | 179.9° | 180.0° |
| O9 | S7 | O8 | N6 | 120.3° | 122.9° |
| O9 | S7 | O8 | C10 | 119.6° | 123.0° |
| O9 | S7 | N6 | C1 | 23.6° | 163.8° |
| O9 | S7 | N6 | C10 | 119.1° | 113.6° |
| O9 | S7 | N6 | C18 | 158.3° | 16.2° |
| O9 | S7 | C10 | C15 | 17.0° | 151.4° |
| O9 | S7 | C10 | C11 | 163.3° | 28.4° |
| C28 | C1 | N6 | C2 | 122.5° | 120.0° |
| C28 | C1 | N6 | H7 | 118.3° | 120.0° |
| C28 | C1 | C2 | H7 | 115.4° | 120.0° |
| C28 | C1 | N6 | S7 | 144.4° | 126.4° |
| C28 | C1 | N6 | C18 | 37.3° | 53.6° |
| C28 | C1 | C2 | N4 | 108.0° | 81.9° |
| C28 | C1 | C2 | O3 | 70.5° | 98.1° |
| C1 | C28 | H8 | H9 | 120.0° | 120.0° |
| C1 | C28 | H8 | H10 | 120.0° | 120.0° |
| C1 | C28 | H9 | H10 | 120.0° | 120.0° |
| O8 | S7 | N6 | C1 | 144.2° | 30.9° |
| O8 | S7 | N6 | C10 | 120.3° | 113.5° |
| O8 | S7 | N6 | C18 | 37.6° | 149.1° |
| O8 | S7 | C10 | C15 | 137.6° | 18.5° |
| O8 | S7 | C10 | C11 | 42.7° | 161.3° |
| C24 | C19 | C18 | N6 | 161.3° | 78.5° |
| C24 | C19 | C20 | H1 | 179.6° | 179.9° |
| C19 | C24 | C23 | H3 | 179.6° | 180.0° |
| C24 | C19 | C18 | H5 | 40.5° | 41.4° |
| C24 | C19 | C18 | H6 | 77.8° | 161.4° |
| C19 | C18 | N6 | C1 | 104.0° | 87.6° |
| C19 | C18 | N6 | S7 | 77.8° | 92.4° |
| C19 | C18 | N6 | H5 | 120.9° | 120.0° |
| C19 | C18 | N6 | H6 | 120.9° | 120.0° |
| C18 | C19 | C20 | H1 | 0.7° | 0.0° |
| C18 | C19 | C24 | H4 | 0.5° | 0.0° |
| C19 | C18 | H5 | H6 | 117.2° | 120.0° |
| N6 | C1 | C2 | H7 | 119.5° | 120.0° |
| C1 | N6 | S7 | C18 | 178.1° | 180.0° |
| C1 | N6 | S7 | C10 | 95.5° | 82.7° |
| N6 | C1 | C2 | N4 | 126.9° | 158.1° |
| N6 | C1 | C2 | O3 | 54.7° | 22.0° |
| C1 | N6 | C18 | H5 | 135.1° | 152.5° |
| C1 | N6 | C18 | H6 | 16.9° | 32.4° |
| N6 | C1 | C28 | H8 | 180.0° | 45.3° |
| N6 | C1 | C28 | H9 | 60.0° | 165.3° |
| N6 | C1 | C28 | H10 | 60.0° | 74.7° |
| C2 | C1 | N6 | S7 | 93.1° | 113.5° |
| C2 | C1 | N6 | C18 | 85.2° | 66.5° |
| C1 | C2 | N4 | O3 | 178.6° | 180.0° |
| C1 | C2 | N4 | O5 | 164.0° | 180.0° |
| C2 | C1 | C28 | H8 | 54.3° | 165.3° |
| C2 | C1 | C28 | H9 | 65.7° | 74.7° |
| C2 | C1 | C28 | H10 | 174.3° | 45.3° |
| C1 | C2 | N4 | H11 | 16.0° | 0.0° |
| N6 | S7 | C10 | C15 | 102.7° | 95.1° |
| N6 | S7 | C10 | C11 | 77.1° | 85.2° |
| S7 | N6 | C18 | H5 | 43.1° | 27.6° |
| S7 | N6 | C18 | H6 | 161.3° | 147.6° |
| S7 | N6 | C1 | H7 | 26.1° | 6.4° |
| C10 | S7 | N6 | C18 | 82.6° | 97.4° |
| S7 | C10 | C15 | C11 | 179.7° | 179.7° |
| S7 | C10 | C15 | C14 | 179.9° | 179.9° |
| S7 | C10 | C11 | C12 | 179.9° | 179.7° |
| S7 | C10 | C15 | H13 | 0.1° | 0.0° |
| S7 | C10 | C11 | H15 | 0.1° | 0.1° |
| N6 | C18 | H5 | H6 | 117.2° | 120.0° |
| C18 | N6 | C1 | H7 | 155.6° | 173.6° |
| C2 | N4 | O5 | H11 | 180.0° | 180.0° |
| N4 | C2 | C1 | H7 | 7.4° | 38.1° |
| C2 | N4 | O5 | H12 | 7.9° | 180.0° |
| O3 | C2 | N4 | O5 | 14.6° | 0.0° |
| O3 | C2 | C1 | H7 | 174.1° | 141.9° |
| O3 | C2 | N4 | H11 | 165.4° | 180.0° |
| C10 | C15 | C14 | H13 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 0.2° | 0.5° |
| C10 | C15 | C14 | C13 | 0.1° | 0.1° |
| C10 | C15 | C14 | H14 | 179.9° | 180.0° |
| C15 | C10 | C11 | H15 | 179.8° | 179.7° |
| C11 | C10 | C15 | C14 | 0.2° | 0.3° |
| C10 | C11 | C12 | H15 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 0.2° | 0.5° |
| C10 | C11 | C12 | C17 | 179.9° | 179.7° |
| C11 | C10 | C15 | H13 | 179.8° | 179.7° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C15 | C14 | C13 | F16 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C11 | C12 | C13 | C17 | 179.9° | 179.8° |
| C11 | C12 | C13 | F16 | 179.9° | 179.8° |
| C11 | C12 | C17 | H16 | 89.9° | 85.1° |
| C11 | C12 | C17 | H17 | 150.1° | 34.9° |
| C11 | C12 | C17 | H18 | 30.1° | 154.9° |
| C14 | C13 | C12 | F16 | 179.7° | 180.0° |
| C14 | C13 | C12 | C17 | 180.0° | 180.0° |
| C13 | C14 | C15 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C11 | H15 | 179.8° | 179.7° |
| C13 | C12 | C17 | H16 | 89.9° | 94.7° |
| C13 | C12 | C17 | H17 | 30.0° | 145.3° |
| C13 | C12 | C17 | H18 | 150.0° | 25.4° |
| C17 | C12 | C13 | F16 | 0.2° | 0.0° |
| C17 | C12 | C11 | H15 | 0.1° | 0.1° |
| C12 | C17 | H16 | H17 | 120.0° | 120.0° |
| C12 | C17 | H16 | H18 | 120.0° | 120.0° |
| C12 | C17 | H17 | H18 | 120.0° | 120.0° |
| F16 | C13 | C14 | H14 | 0.1° | 0.1° |
| H2 | C22 | C23 | H3 | 0.1° | 0.0° |
| H3 | C23 | C24 | H4 | 0.4° | 0.1° |
| H7 | C1 | C28 | H8 | 61.3° | 74.7° |
| H7 | C1 | C28 | H9 | 178.7° | 45.3° |
| H7 | C1 | C28 | H10 | 58.7° | 165.3° |
| H8 | C28 | H9 | H10 | 120.0° | 120.0° |
| H11 | N4 | O5 | H12 | 172.1° | 0.0° |
| H13 | C15 | C14 | H14 | 0.1° | 0.1° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
