35P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O17 | doub | 1.21Å | 1.09Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N4 | sing | 1.47Å | 1.33Å | |
| C5 | C8 | sing | 1.53Å | 1.46Å | |
| N4 | C3 | sing | 1.35Å | 1.32Å | |
| C8 | N7 | sing | 1.49Å | 1.53Å | |
| C8 | S11 | sing | 1.84Å | 1.80Å | |
| C3 | C2 | sing | 1.51Å | 1.49Å | |
| C3 | O18 | doub | 1.21Å | 1.19Å | |
| C2 | O1 | sing | 1.43Å | 1.47Å | |
| N7 | C9 | sing | 1.47Å | 1.49Å | |
| O1 | C19 | sing | 1.36Å | 1.40Å | |
| C9 | C13 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | sing | 1.54Å | 1.50Å | |
| O14 | C13 | doub | 1.21Å | 1.24Å | |
| S11 | C10 | sing | 1.84Å | 1.81Å | |
| C13 | O16 | sing | 1.34Å | 1.25Å | |
| C24 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | C15 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N7 | H12 | sing | 1.01Å | 1.00Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| O16 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C6 | C5 | 120.1° | 120.1° |
| O17 | C6 | H10 | 119.9° | 120.0° |
| C6 | C5 | N4 | 114.4° | 109.4° |
| C6 | C5 | C8 | 115.0° | 109.5° |
| C6 | C5 | H9 | 94.7° | 109.5° |
| C5 | C6 | H10 | 119.9° | 120.0° |
| N4 | C5 | C8 | 128.3° | 109.5° |
| C5 | N4 | C3 | 130.9° | 120.0° |
| C5 | N4 | H8 | 114.5° | 120.0° |
| N4 | C5 | H9 | 95.3° | 109.5° |
| C5 | C8 | N7 | 93.7° | 111.2° |
| C5 | C8 | S11 | 116.7° | 111.1° |
| C8 | C5 | H9 | 94.8° | 109.5° |
| C5 | C8 | H11 | 118.1° | 111.0° |
| N4 | C3 | C2 | 114.0° | 120.0° |
| N4 | C3 | O18 | 125.5° | 120.0° |
| C3 | N4 | H8 | 114.5° | 120.0° |
| N7 | C8 | S11 | 95.2° | 100.9° |
| C8 | N7 | C9 | 115.2° | 111.0° |
| N7 | C8 | H11 | 116.8° | 111.2° |
| C8 | N7 | H12 | 108.0° | 111.0° |
| C8 | S11 | C10 | 101.6° | 94.9° |
| S11 | C8 | H11 | 112.6° | 111.1° |
| C2 | C3 | O18 | 120.5° | 120.0° |
| C3 | C2 | O1 | 91.6° | 109.5° |
| C3 | C2 | H6 | 113.7° | 109.4° |
| C3 | C2 | H7 | 113.8° | 109.5° |
| C2 | O1 | C19 | 133.8° | 117.0° |
| O1 | C2 | H6 | 113.7° | 109.5° |
| O1 | C2 | H7 | 113.7° | 109.5° |
| N7 | C9 | C13 | 111.4° | 108.8° |
| N7 | C9 | C10 | 104.0° | 112.9° |
| C9 | N7 | H12 | 108.0° | 111.0° |
| N7 | C9 | H20 | 109.4° | 108.9° |
| O1 | C19 | C24 | 122.4° | 120.1° |
| O1 | C19 | C20 | 119.3° | 120.1° |
| C13 | C9 | C10 | 113.9° | 108.8° |
| C9 | C13 | O14 | 119.7° | 120.0° |
| C9 | C13 | O16 | 119.9° | 120.0° |
| C13 | C9 | H20 | 108.8° | 108.8° |
| C9 | C10 | S11 | 103.6° | 103.5° |
| C9 | C10 | C12 | 115.4° | 110.7° |
| C9 | C10 | C15 | 110.8° | 110.8° |
| C10 | C9 | H20 | 109.2° | 108.7° |
| O14 | C13 | O16 | 120.4° | 120.0° |
| S11 | C10 | C12 | 106.3° | 110.6° |
| S11 | C10 | C15 | 113.9° | 110.6° |
| C13 | O16 | H21 | 109.5° | 117.0° |
| C19 | C24 | C23 | 121.4° | 119.9° |
| C24 | C19 | C20 | 118.3° | 119.9° |
| C19 | C24 | H1 | 119.3° | 120.1° |
| C24 | C23 | C22 | 119.6° | 120.1° |
| C23 | C24 | H1 | 119.3° | 120.0° |
| C24 | C23 | H2 | 120.2° | 119.9° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H5 | 119.7° | 120.0° |
| C12 | C10 | C15 | 107.0° | 110.5° |
| C10 | C12 | H14 | 109.5° | 109.5° |
| C10 | C12 | H15 | 109.5° | 109.5° |
| C10 | C12 | H16 | 109.5° | 109.4° |
| C10 | C15 | H17 | 109.5° | 109.4° |
| C10 | C15 | H18 | 109.5° | 109.5° |
| C10 | C15 | H19 | 109.5° | 109.5° |
| C23 | C22 | C21 | 120.3° | 120.1° |
| C22 | C23 | H2 | 120.2° | 120.0° |
| C23 | C22 | H3 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C20 | C21 | H4 | 120.1° | 120.0° |
| C21 | C20 | H5 | 119.7° | 120.0° |
| C21 | C22 | H3 | 119.9° | 119.9° |
| C22 | C21 | H4 | 120.1° | 120.0° |
| H6 | C2 | H7 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.4° | 109.6° |
| H14 | C12 | H16 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H19 | 109.4° | 109.5° |
| H18 | C15 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C6 | C5 | H10 | 180.0° | 180.0° |
| O17 | C6 | C5 | N4 | 30.2° | 0.0° |
| O17 | C6 | C5 | C8 | 134.2° | 120.0° |
| O17 | C6 | C5 | H9 | 128.3° | 120.0° |
| C6 | C5 | N4 | C8 | 161.9° | 120.0° |
| C6 | C5 | N4 | H9 | 97.6° | 120.0° |
| C6 | C5 | C8 | H9 | 97.5° | 120.0° |
| C6 | C5 | N4 | C3 | 159.8° | 85.0° |
| C6 | C5 | C8 | N7 | 40.0° | 60.0° |
| C6 | C5 | C8 | S11 | 137.8° | 51.5° |
| C6 | C5 | N4 | H8 | 20.2° | 95.0° |
| C6 | C5 | C8 | H11 | 83.1° | 175.7° |
| N4 | C5 | C8 | H9 | 100.7° | 120.0° |
| C5 | N4 | C3 | H8 | 180.0° | 180.0° |
| N4 | C5 | C8 | N7 | 121.8° | 180.0° |
| N4 | C5 | C8 | S11 | 24.1° | 68.4° |
| C5 | N4 | C3 | C2 | 172.1° | 180.0° |
| C5 | N4 | C3 | O18 | 8.2° | 0.0° |
| N4 | C5 | C6 | H10 | 149.8° | 180.0° |
| N4 | C5 | C8 | H11 | 115.1° | 55.8° |
| C8 | C5 | N4 | C3 | 38.3° | 155.0° |
| C5 | C8 | N7 | S11 | 117.3° | 117.9° |
| C5 | C8 | N7 | H11 | 124.2° | 124.1° |
| C5 | C8 | S11 | H11 | 141.3° | 124.1° |
| C5 | C8 | N7 | C9 | 76.6° | 160.4° |
| C5 | C8 | S11 | C10 | 81.0° | 152.5° |
| C8 | C5 | N4 | H8 | 141.7° | 25.0° |
| C8 | C5 | C6 | H10 | 45.8° | 60.0° |
| C5 | C8 | N7 | H12 | 44.3° | 36.4° |
| N4 | C3 | C2 | O18 | 179.7° | 180.0° |
| N4 | C3 | C2 | O1 | 74.9° | 180.0° |
| N4 | C3 | C2 | H6 | 168.2° | 60.0° |
| N4 | C3 | C2 | H7 | 42.0° | 60.0° |
| C3 | N4 | C5 | H9 | 62.2° | 35.0° |
| N7 | C8 | S11 | H11 | 121.9° | 117.9° |
| C8 | N7 | C9 | H12 | 120.8° | 124.0° |
| C8 | N7 | C9 | C13 | 174.7° | 89.0° |
| C8 | N7 | C9 | C10 | 51.5° | 31.8° |
| N7 | C8 | S11 | C10 | 15.8° | 34.6° |
| N7 | C8 | C5 | H9 | 137.5° | 60.0° |
| C8 | N7 | C9 | H20 | 65.0° | 152.6° |
| S11 | C8 | N7 | C9 | 40.7° | 42.4° |
| C8 | S11 | C10 | C9 | 9.2° | 18.3° |
| C8 | S11 | C10 | C12 | 112.8° | 100.2° |
| C8 | S11 | C10 | C15 | 129.7° | 137.0° |
| S11 | C8 | C5 | H9 | 124.8° | 171.6° |
| S11 | C8 | N7 | H12 | 161.5° | 81.5° |
| C3 | C2 | O1 | H6 | 116.9° | 120.0° |
| C3 | C2 | O1 | H7 | 116.9° | 120.0° |
| C3 | C2 | O1 | C19 | 165.8° | 180.0° |
| C3 | C2 | H6 | H7 | 128.5° | 120.0° |
| C2 | C3 | N4 | H8 | 7.9° | 0.0° |
| O18 | C3 | C2 | O1 | 104.9° | 0.0° |
| O18 | C3 | C2 | H6 | 12.0° | 120.0° |
| O18 | C3 | C2 | H7 | 138.2° | 120.0° |
| O18 | C3 | N4 | H8 | 171.8° | 180.0° |
| C2 | O1 | C19 | C24 | 37.4° | 180.0° |
| C2 | O1 | C19 | C20 | 144.4° | 0.0° |
| O1 | C2 | H6 | H7 | 128.4° | 120.0° |
| N7 | C9 | C13 | C10 | 117.3° | 123.3° |
| N7 | C9 | C13 | H20 | 120.6° | 118.4° |
| N7 | C9 | C10 | H20 | 116.7° | 120.9° |
| N7 | C9 | C13 | O14 | 22.1° | 18.5° |
| N7 | C9 | C10 | S11 | 31.8° | 3.9° |
| N7 | C9 | C13 | O16 | 155.2° | 161.5° |
| N7 | C9 | C10 | C12 | 84.0° | 122.4° |
| N7 | C9 | C10 | C15 | 154.3° | 114.7° |
| C9 | N7 | C8 | H11 | 159.3° | 75.5° |
| O1 | C19 | C24 | C20 | 178.2° | 180.0° |
| O1 | C19 | C24 | C23 | 179.6° | 180.0° |
| O1 | C19 | C20 | C21 | 178.9° | 180.0° |
| O1 | C19 | C24 | H1 | 0.4° | 0.3° |
| O1 | C19 | C20 | H5 | 1.1° | 0.0° |
| C19 | O1 | C2 | H6 | 48.9° | 60.0° |
| C19 | O1 | C2 | H7 | 77.3° | 60.0° |
| C13 | C9 | C10 | H20 | 121.9° | 118.3° |
| C9 | C13 | O14 | O16 | 177.3° | 180.0° |
| C13 | C9 | C10 | S11 | 153.3° | 117.0° |
| C13 | C9 | C10 | C12 | 37.5° | 1.5° |
| C13 | C9 | C10 | C15 | 84.3° | 124.4° |
| C13 | C9 | N7 | H12 | 64.5° | 147.0° |
| C9 | C13 | O16 | H21 | 177.2° | 180.0° |
| C10 | C9 | C13 | O14 | 95.2° | 104.8° |
| C9 | C10 | S11 | C12 | 122.1° | 118.5° |
| C9 | C10 | S11 | C15 | 120.4° | 118.7° |
| C10 | C9 | C13 | O16 | 87.5° | 75.2° |
| C9 | C10 | C12 | C15 | 123.8° | 123.1° |
| C10 | C9 | N7 | H12 | 172.3° | 92.1° |
| C9 | C10 | C12 | H14 | 180.0° | 175.5° |
| C9 | C10 | C12 | H15 | 60.0° | 64.4° |
| C9 | C10 | C12 | H16 | 60.0° | 55.5° |
| C9 | C10 | C15 | H17 | 180.0° | 55.6° |
| C9 | C10 | C15 | H18 | 60.0° | 64.3° |
| C9 | C10 | C15 | H19 | 60.0° | 175.6° |
| O14 | C13 | C9 | H20 | 142.8° | 137.0° |
| O14 | C13 | O16 | H21 | 0.0° | 0.0° |
| S11 | C10 | C12 | C15 | 122.0° | 122.9° |
| C10 | S11 | C8 | H11 | 137.7° | 83.3° |
| S11 | C10 | C12 | H14 | 65.8° | 61.4° |
| S11 | C10 | C12 | H15 | 174.2° | 178.5° |
| S11 | C10 | C12 | H16 | 54.2° | 58.5° |
| S11 | C10 | C15 | H17 | 63.7° | 58.6° |
| S11 | C10 | C15 | H18 | 56.3° | 178.5° |
| S11 | C10 | C15 | H19 | 176.3° | 61.4° |
| S11 | C10 | C9 | H20 | 84.9° | 124.7° |
| O16 | C13 | C9 | H20 | 34.5° | 43.0° |
| C19 | C24 | C23 | H1 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 1.3° | 0.0° |
| C24 | C19 | C20 | C21 | 2.9° | 0.0° |
| C19 | C24 | C23 | H2 | 178.7° | 180.0° |
| C24 | C19 | C20 | H5 | 177.1° | 180.0° |
| C23 | C24 | C19 | C20 | 1.4° | 0.0° |
| C24 | C23 | C22 | H2 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 2.6° | 0.0° |
| C24 | C23 | C22 | H3 | 177.4° | 179.9° |
| C19 | C20 | C21 | H5 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.7° | 0.0° |
| C20 | C19 | C24 | H1 | 178.6° | 179.7° |
| C19 | C20 | C21 | H4 | 178.3° | 180.0° |
| C10 | C12 | H14 | H15 | 120.0° | 120.1° |
| C10 | C12 | H14 | H16 | 120.0° | 119.9° |
| C10 | C12 | H15 | H16 | 120.0° | 119.9° |
| C12 | C10 | C15 | H17 | 53.4° | 178.6° |
| C12 | C10 | C15 | H18 | 173.4° | 58.6° |
| C12 | C10 | C15 | H19 | 66.6° | 61.4° |
| C12 | C10 | C9 | H20 | 159.4° | 116.8° |
| C15 | C10 | C12 | H14 | 56.2° | 61.5° |
| C15 | C10 | C12 | H15 | 63.8° | 58.6° |
| C15 | C10 | C12 | H16 | 176.2° | 178.6° |
| C10 | C15 | H17 | H18 | 120.1° | 120.0° |
| C10 | C15 | H17 | H19 | 120.0° | 120.0° |
| C10 | C15 | H18 | H19 | 120.0° | 120.1° |
| C15 | C10 | C9 | H20 | 37.6° | 6.1° |
| C23 | C22 | C21 | C20 | 1.1° | 0.1° |
| C23 | C22 | C21 | H3 | 180.0° | 179.9° |
| C22 | C23 | C24 | H1 | 178.7° | 179.7° |
| C23 | C22 | C21 | H4 | 178.9° | 180.0° |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C20 | C21 | C22 | H3 | 178.9° | 179.9° |
| C21 | C22 | C23 | H2 | 177.4° | 179.9° |
| C22 | C21 | C20 | H5 | 178.3° | 179.9° |
| H1 | C24 | C23 | H2 | 1.3° | 0.3° |
| H2 | C23 | C22 | H3 | 2.6° | 0.1° |
| H3 | C22 | C21 | H4 | 1.1° | 0.1° |
| H4 | C21 | C20 | H5 | 1.7° | 0.0° |
| H8 | N4 | C5 | H9 | 117.8° | 145.0° |
| H9 | C5 | C6 | H10 | 51.7° | 60.0° |
| H9 | C5 | C8 | H11 | 14.4° | 64.2° |
| H11 | C8 | N7 | H12 | 79.9° | 160.6° |
| H12 | N7 | C9 | H20 | 55.8° | 28.6° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 119.9° | 120.0° |
