379
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P11 | C3 | sing | 1.82Å | 1.82Å | |
| P11 | C11 | sing | 1.82Å | 1.82Å | |
| P11 | O12 | sing | 1.61Å | 1.50Å | |
| P11 | O13 | doub | 1.48Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| C3 | N10 | sing | 1.47Å | 1.47Å | |
| C6 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | O23 | doub | 1.21Å | 1.26Å | |
| C15 | O24 | sing | 1.34Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C01 | N18 | sing | 1.32Å | 1.36Å | Aromatic |
| C17 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 1.01Å | 1.00Å | |
| N10 | H13 | sing | 1.01Å | 1.00Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| O12 | H4 | sing | 0.97Å | 0.95Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| O24 | H9 | sing | 0.97Å | 0.95Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | H22 | sing | 1.08Å | 1.08Å | |
| C38 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| C40 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | P11 | C11 | 112.9° | 109.4° |
| C3 | P11 | O12 | 109.4° | 109.5° |
| C3 | P11 | O13 | 109.3° | 109.4° |
| P11 | C3 | C1 | 111.9° | 109.5° |
| P11 | C3 | N10 | 108.4° | 109.5° |
| P11 | C3 | H12 | 106.0° | 109.5° |
| C11 | P11 | O12 | 107.9° | 109.5° |
| C11 | P11 | O13 | 104.6° | 109.5° |
| P11 | C11 | C13 | 115.8° | 109.4° |
| P11 | C11 | H16 | 107.9° | 109.5° |
| P11 | C11 | H17 | 107.9° | 109.5° |
| O12 | P11 | O13 | 112.8° | 109.5° |
| P11 | O12 | H4 | 109.5° | 114.0° |
| C3 | C1 | C6 | 114.3° | 109.5° |
| C1 | C3 | N10 | 111.3° | 109.5° |
| C3 | C1 | H1 | 108.3° | 109.5° |
| C3 | C1 | H2 | 108.2° | 109.5° |
| C1 | C3 | H12 | 109.2° | 109.5° |
| C1 | C6 | C8 | 110.8° | 109.5° |
| C6 | C1 | H1 | 108.3° | 109.4° |
| C6 | C1 | H2 | 108.3° | 109.5° |
| C1 | C6 | H6 | 109.1° | 109.4° |
| C1 | C6 | H7 | 109.1° | 109.4° |
| N10 | C3 | H12 | 109.9° | 109.5° |
| C3 | N10 | H11 | 109.5° | 111.0° |
| C3 | N10 | H13 | 109.5° | 111.0° |
| C6 | C8 | C01 | 119.5° | 120.4° |
| C6 | C8 | C21 | 121.5° | 120.4° |
| C8 | C6 | H6 | 109.1° | 109.5° |
| C8 | C6 | H7 | 109.1° | 109.5° |
| C01 | C8 | C21 | 119.0° | 119.2° |
| C8 | C01 | N18 | 120.4° | 120.7° |
| C8 | C01 | H8 | 119.8° | 119.6° |
| C8 | C21 | C20 | 121.3° | 118.4° |
| C8 | C21 | H15 | 119.4° | 120.8° |
| C11 | C13 | C15 | 111.3° | 109.4° |
| C11 | C13 | C16 | 109.7° | 109.4° |
| C13 | C11 | H16 | 107.9° | 109.5° |
| C13 | C11 | H17 | 107.9° | 109.5° |
| C11 | C13 | H18 | 111.0° | 109.5° |
| C15 | C13 | C16 | 102.0° | 109.5° |
| C13 | C15 | O23 | 122.6° | 120.0° |
| C13 | C15 | O24 | 117.8° | 120.0° |
| C15 | C13 | H18 | 111.2° | 109.5° |
| C13 | C16 | C17 | 113.2° | 109.4° |
| C16 | C13 | H18 | 111.3° | 109.5° |
| C13 | C16 | H19 | 108.5° | 109.5° |
| C13 | C16 | H20 | 108.5° | 109.5° |
| O23 | C15 | O24 | 119.6° | 120.0° |
| C15 | O24 | H9 | 109.5° | 117.0° |
| C16 | C17 | C36 | 118.5° | 120.0° |
| C16 | C17 | C40 | 121.9° | 120.0° |
| C17 | C16 | H19 | 108.5° | 109.4° |
| C17 | C16 | H20 | 108.5° | 109.5° |
| C01 | N18 | C19 | 120.3° | 121.7° |
| N18 | C01 | H8 | 119.8° | 119.6° |
| C36 | C17 | C40 | 119.6° | 120.0° |
| C17 | C36 | C37 | 120.5° | 120.0° |
| C17 | C36 | H21 | 119.8° | 120.0° |
| C17 | C40 | C39 | 120.0° | 120.0° |
| C17 | C40 | H24 | 120.0° | 120.0° |
| N18 | C19 | C20 | 120.4° | 120.8° |
| N18 | C19 | H10 | 119.8° | 119.6° |
| C19 | C20 | C21 | 118.5° | 119.2° |
| C20 | C19 | H10 | 119.8° | 119.6° |
| C19 | C20 | H14 | 120.7° | 120.4° |
| C21 | C20 | H14 | 120.8° | 120.4° |
| C20 | C21 | H15 | 119.3° | 120.8° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | H21 | 119.7° | 120.0° |
| C36 | C37 | H22 | 120.0° | 120.0° |
| C37 | C38 | C39 | 120.1° | 120.0° |
| C38 | C37 | H22 | 120.0° | 120.0° |
| C37 | C38 | H25 | 120.0° | 120.0° |
| C38 | C39 | C40 | 119.9° | 120.0° |
| C39 | C38 | H25 | 120.0° | 120.0° |
| C38 | C39 | H23 | 120.0° | 120.0° |
| C40 | C39 | H23 | 120.1° | 120.0° |
| C39 | C40 | H24 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H11 | N10 | H13 | 109.5° | 111.1° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | P11 | C11 | O12 | 121.0° | 120.0° |
| C3 | P11 | C11 | O13 | 118.7° | 119.9° |
| C3 | P11 | O12 | O13 | 121.9° | 120.0° |
| P11 | C3 | C1 | N10 | 121.5° | 120.0° |
| P11 | C3 | C1 | H12 | 117.0° | 120.0° |
| P11 | C3 | C1 | C6 | 168.8° | 60.0° |
| P11 | C3 | N10 | H12 | 115.4° | 120.0° |
| C3 | P11 | C11 | C13 | 98.4° | 175.0° |
| P11 | C3 | C1 | H1 | 70.4° | 180.0° |
| P11 | C3 | C1 | H2 | 48.1° | 60.0° |
| P11 | C3 | N10 | H11 | 180.0° | 59.9° |
| P11 | C3 | N10 | H13 | 60.0° | 176.1° |
| C3 | P11 | C11 | H16 | 140.7° | 65.0° |
| C3 | P11 | C11 | H17 | 22.5° | 55.0° |
| C3 | P11 | O12 | H4 | 121.9° | 60.0° |
| C11 | P11 | O12 | O13 | 114.9° | 120.1° |
| C11 | P11 | C3 | C1 | 60.7° | 180.0° |
| C11 | P11 | C3 | N10 | 176.1° | 60.0° |
| P11 | C11 | C13 | H16 | 120.9° | 120.0° |
| P11 | C11 | C13 | H17 | 120.9° | 120.0° |
| P11 | C11 | C13 | C15 | 102.0° | 75.0° |
| P11 | C11 | C13 | C16 | 145.8° | 165.0° |
| C11 | P11 | C3 | H12 | 58.2° | 60.0° |
| P11 | C11 | H16 | H17 | 117.1° | 120.0° |
| C11 | P11 | O12 | H4 | 114.9° | 60.0° |
| P11 | C11 | C13 | H18 | 22.5° | 45.0° |
| O12 | P11 | C3 | C1 | 179.2° | 60.0° |
| O12 | P11 | C3 | N10 | 56.0° | 60.0° |
| O12 | P11 | C11 | C13 | 140.6° | 65.0° |
| O12 | P11 | C3 | H12 | 61.9° | 180.0° |
| O12 | P11 | C11 | H16 | 19.7° | 55.0° |
| O12 | P11 | C11 | H17 | 98.5° | 175.0° |
| O13 | P11 | C3 | C1 | 55.2° | 60.0° |
| O13 | P11 | C3 | N10 | 67.9° | 180.0° |
| O13 | P11 | C11 | C13 | 20.4° | 55.1° |
| O13 | P11 | C3 | H12 | 174.1° | 60.0° |
| O13 | P11 | C11 | H16 | 100.6° | 175.1° |
| O13 | P11 | C11 | H17 | 141.3° | 65.0° |
| O13 | P11 | O12 | H4 | 0.0° | 180.0° |
| C3 | C1 | C6 | H1 | 120.7° | 120.0° |
| C3 | C1 | C6 | H2 | 120.7° | 120.1° |
| C1 | C3 | N10 | H12 | 121.1° | 120.0° |
| C3 | C1 | C6 | C8 | 179.1° | 180.0° |
| C3 | C1 | H1 | H2 | 117.8° | 120.0° |
| C3 | C1 | C6 | H6 | 60.7° | 60.0° |
| C3 | C1 | C6 | H7 | 58.9° | 59.9° |
| C1 | C3 | N10 | H11 | 56.5° | 60.0° |
| C1 | C3 | N10 | H13 | 176.5° | 64.0° |
| C6 | C1 | C3 | N10 | 69.7° | 180.0° |
| C1 | C6 | C8 | H6 | 120.2° | 120.0° |
| C1 | C6 | C8 | H7 | 120.2° | 120.0° |
| C1 | C6 | C8 | C01 | 152.8° | 89.9° |
| C1 | C6 | C8 | C21 | 28.3° | 90.3° |
| C6 | C1 | H1 | H2 | 117.8° | 120.0° |
| C6 | C1 | C3 | H12 | 51.8° | 60.0° |
| C1 | C6 | H6 | H7 | 119.4° | 119.9° |
| N10 | C3 | C1 | H1 | 51.1° | 60.0° |
| N10 | C3 | C1 | H2 | 169.6° | 60.0° |
| C3 | N10 | H11 | H13 | 120.0° | 124.0° |
| C6 | C8 | C01 | C21 | 179.0° | 179.8° |
| C6 | C8 | C01 | N18 | 179.8° | 180.0° |
| C6 | C8 | C21 | C20 | 179.2° | 179.8° |
| C8 | C6 | C1 | H1 | 58.4° | 60.0° |
| C8 | C6 | C1 | H2 | 60.2° | 59.9° |
| C8 | C6 | H6 | H7 | 119.4° | 120.1° |
| C6 | C8 | C01 | H8 | 0.2° | 0.0° |
| C6 | C8 | C21 | H15 | 0.8° | 0.0° |
| C8 | C01 | N18 | H8 | 180.0° | 180.0° |
| C8 | C01 | N18 | C19 | 0.0° | 0.0° |
| C01 | C8 | C21 | C20 | 0.2° | 0.5° |
| C01 | C8 | C6 | H6 | 87.0° | 30.0° |
| C01 | C8 | C6 | H7 | 32.6° | 150.1° |
| C01 | C8 | C21 | H15 | 179.8° | 179.8° |
| C21 | C8 | C01 | N18 | 0.8° | 0.2° |
| C8 | C21 | C20 | C19 | 1.1° | 0.5° |
| C8 | C21 | C20 | H15 | 180.0° | 179.7° |
| C21 | C8 | C6 | H6 | 92.0° | 149.7° |
| C21 | C8 | C6 | H7 | 148.4° | 29.7° |
| C21 | C8 | C01 | H8 | 179.2° | 179.7° |
| C8 | C21 | C20 | H14 | 178.9° | 179.8° |
| C11 | C13 | C15 | C16 | 116.9° | 119.9° |
| C11 | C13 | C15 | H18 | 124.4° | 120.1° |
| C11 | C13 | C16 | H18 | 123.2° | 120.0° |
| C11 | C13 | C15 | O23 | 144.7° | 0.0° |
| C11 | C13 | C15 | O24 | 34.4° | 180.0° |
| C11 | C13 | C16 | C17 | 96.8° | 175.0° |
| C13 | C11 | H16 | H17 | 117.1° | 120.0° |
| C11 | C13 | C16 | H19 | 23.8° | 55.1° |
| C11 | C13 | C16 | H20 | 142.7° | 65.0° |
| C15 | C13 | C16 | H18 | 118.7° | 120.0° |
| C13 | C15 | O23 | O24 | 179.1° | 180.0° |
| C15 | C13 | C16 | C17 | 145.2° | 65.1° |
| C15 | C13 | C11 | H16 | 137.0° | 165.0° |
| C15 | C13 | C11 | H17 | 18.9° | 44.9° |
| C15 | C13 | C16 | H19 | 94.3° | 175.0° |
| C15 | C13 | C16 | H20 | 24.6° | 54.9° |
| C13 | C15 | O24 | H9 | 179.2° | 180.0° |
| C16 | C13 | C15 | O23 | 98.5° | 120.0° |
| C16 | C13 | C15 | O24 | 82.4° | 60.1° |
| C13 | C16 | C17 | H19 | 120.5° | 119.9° |
| C13 | C16 | C17 | H20 | 120.6° | 120.0° |
| C13 | C16 | C17 | C36 | 107.0° | 90.0° |
| C13 | C16 | C17 | C40 | 74.5° | 90.4° |
| C16 | C13 | C11 | H16 | 24.9° | 45.0° |
| C16 | C13 | C11 | H17 | 93.3° | 75.0° |
| C13 | C16 | H19 | H20 | 118.3° | 120.0° |
| O23 | C15 | C13 | H18 | 20.3° | 120.0° |
| O23 | C15 | O24 | H9 | 0.0° | 0.0° |
| O24 | C15 | C13 | H18 | 158.8° | 60.0° |
| C16 | C17 | C36 | C40 | 178.5° | 179.6° |
| C16 | C17 | C36 | C37 | 178.8° | 179.9° |
| C16 | C17 | C40 | C39 | 178.9° | 179.8° |
| C17 | C16 | C13 | H18 | 26.5° | 55.0° |
| C17 | C16 | H19 | H20 | 118.3° | 120.1° |
| C16 | C17 | C36 | H21 | 1.2° | 0.1° |
| C16 | C17 | C40 | H24 | 1.1° | 0.1° |
| C01 | N18 | C19 | C20 | 1.3° | 0.0° |
| C01 | N18 | C19 | H10 | 178.7° | 179.9° |
| C17 | C36 | C37 | H21 | 180.0° | 180.0° |
| C17 | C36 | C37 | C38 | 0.0° | 0.0° |
| C36 | C17 | C40 | C39 | 0.4° | 0.6° |
| C36 | C17 | C16 | H19 | 13.6° | 29.9° |
| C36 | C17 | C16 | H20 | 132.5° | 150.0° |
| C17 | C36 | C37 | H22 | 180.0° | 179.9° |
| C36 | C17 | C40 | H24 | 179.6° | 179.7° |
| C40 | C17 | C36 | C37 | 0.3° | 0.3° |
| C17 | C40 | C39 | C38 | 0.2° | 0.5° |
| C17 | C40 | C39 | H24 | 180.0° | 179.7° |
| C40 | C17 | C16 | H19 | 164.9° | 149.7° |
| C40 | C17 | C16 | H20 | 46.0° | 29.6° |
| C40 | C17 | C36 | H21 | 179.7° | 179.7° |
| C17 | C40 | C39 | H23 | 179.7° | 179.7° |
| N18 | C19 | C20 | H10 | 180.0° | 179.9° |
| N18 | C19 | C20 | C21 | 1.9° | 0.3° |
| C19 | N18 | C01 | H8 | 180.0° | 180.0° |
| N18 | C19 | C20 | H14 | 178.1° | 180.0° |
| C19 | C20 | C21 | H14 | 180.0° | 179.7° |
| C19 | C20 | C21 | H15 | 178.9° | 179.8° |
| C21 | C20 | C19 | H10 | 178.1° | 179.8° |
| C36 | C37 | C38 | H22 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.2° | 0.0° |
| C36 | C37 | C38 | H25 | 179.8° | 180.0° |
| C37 | C38 | C39 | H25 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.2° |
| C38 | C37 | C36 | H21 | 180.0° | 180.0° |
| C37 | C38 | C39 | H23 | 180.0° | 180.0° |
| C38 | C39 | C40 | H23 | 180.0° | 179.8° |
| C39 | C38 | C37 | H22 | 179.8° | 179.9° |
| C38 | C39 | C40 | H24 | 179.7° | 179.8° |
| C40 | C39 | C38 | H25 | 180.0° | 179.8° |
| H1 | C1 | C3 | H12 | 172.6° | 60.0° |
| H1 | C1 | C6 | H6 | 178.6° | NaN° |
| H1 | C1 | C6 | H7 | 61.8° | 60.1° |
| H2 | C1 | C3 | H12 | 68.9° | 180.0° |
| H2 | C1 | C6 | H6 | 60.0° | 60.1° |
| H2 | C1 | C6 | H7 | 179.6° | 180.0° |
| H12 | C3 | N10 | H11 | 64.6° | 180.0° |
| H12 | C3 | N10 | H13 | 55.4° | 56.0° |
| H16 | C11 | C13 | H18 | 98.5° | 75.0° |
| H17 | C11 | C13 | H18 | 143.4° | 165.0° |
| H18 | C13 | C16 | H19 | 147.0° | 65.0° |
| H18 | C13 | C16 | H20 | 94.1° | 175.0° |
| H10 | C19 | C20 | H14 | 1.9° | 0.1° |
| H14 | C20 | C21 | H15 | 1.1° | 0.0° |
| H21 | C36 | C37 | H22 | 0.0° | 0.1° |
| H22 | C37 | C38 | H25 | 0.2° | 0.0° |
| H25 | C38 | C39 | H23 | 0.0° | 0.0° |
| H23 | C39 | C40 | H24 | 0.3° | 0.0° |
