7V9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C8 | doub | 1.21Å | 1.21Å | |
| P | O1P | sing | 1.61Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.61Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | O4 | doub | 1.21Å | 1.21Å | |
| C4 | N5 | sing | 1.35Å | 1.30Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | CE1 | sing | 1.53Å | 1.53Å | |
| C2 | CE2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O3P | C1 | sing | 1.43Å | 1.43Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | N9 | sing | 1.35Å | 1.30Å | |
| N9 | C10 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | S12 | sing | 1.81Å | 1.81Å | |
| S12 | C13 | sing | 1.76Å | 1.81Å | |
| C13 | O13 | doub | 1.22Å | 1.21Å | |
| C13 | C14 | sing | 1.48Å | 1.40Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| N16 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| O1P | H1 | sing | 0.97Å | 0.95Å | |
| O2P | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| CE1 | H5 | sing | 1.09Å | 1.10Å | |
| CE1 | H6 | sing | 1.09Å | 1.10Å | |
| CE1 | H7 | sing | 1.09Å | 1.10Å | |
| CE2 | H8 | sing | 1.09Å | 1.10Å | |
| CE2 | H9 | sing | 1.09Å | 1.10Å | |
| CE2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| N9 | H18 | sing | 0.97Å | 1.00Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C18 | H27 | sing | 1.08Å | 1.08Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| P | O1 | doub | 1.48Å | 0.89Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C8 | C7 | 121.0° | 120.0° |
| O8 | C8 | N9 | 121.1° | 120.0° |
| O1P | P | O2P | 119.6° | 109.5° |
| O1P | P | O3P | 107.8° | 109.5° |
| P | O1P | H1 | 109.5° | 114.0° |
| O1P | P | O1 | 82.8° | 109.5° |
| O2P | P | O3P | 108.0° | 109.5° |
| P | O2P | H2 | 109.5° | 114.0° |
| O2P | P | O1 | 136.9° | 109.5° |
| P | O3P | C1 | 107.1° | 123.0° |
| O3P | P | O1 | 97.3° | 109.5° |
| C3 | C4 | O4 | 121.2° | 120.0° |
| C3 | C4 | N5 | 117.5° | 120.0° |
| C4 | C3 | C2 | 109.6° | 109.4° |
| C4 | C3 | O3 | 109.3° | 109.5° |
| C4 | C3 | H11 | 109.0° | 109.5° |
| O4 | C4 | N5 | 121.3° | 120.0° |
| C4 | N5 | C6 | 120.1° | 120.0° |
| C4 | N5 | H13 | 119.9° | 120.0° |
| C1 | C2 | CE1 | 109.5° | 109.4° |
| C1 | C2 | CE2 | 110.3° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.4° |
| C2 | C1 | O3P | 109.8° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | C1 | H4 | 109.4° | 109.5° |
| CE1 | C2 | CE2 | 109.3° | 109.5° |
| CE1 | C2 | C3 | 109.3° | 109.5° |
| C2 | CE1 | H5 | 109.5° | 109.5° |
| C2 | CE1 | H6 | 109.5° | 109.5° |
| C2 | CE1 | H7 | 109.5° | 109.5° |
| CE2 | C2 | C3 | 109.2° | 109.5° |
| C2 | CE2 | H8 | 109.5° | 109.5° |
| C2 | CE2 | H9 | 109.5° | 109.5° |
| C2 | CE2 | H10 | 109.4° | 109.5° |
| C2 | C3 | O3 | 109.3° | 109.5° |
| C2 | C3 | H11 | 109.1° | 109.4° |
| O3P | C1 | H3 | 109.4° | 109.5° |
| O3P | C1 | H4 | 109.4° | 109.5° |
| O3 | C3 | H11 | 110.5° | 109.5° |
| C3 | O3 | H12 | 109.5° | 114.0° |
| N5 | C6 | C7 | 109.3° | 109.5° |
| C6 | N5 | H13 | 120.0° | 120.0° |
| N5 | C6 | H14 | 109.5° | 109.5° |
| N5 | C6 | H15 | 109.5° | 109.5° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C7 | C6 | H14 | 109.5° | 109.5° |
| C7 | C6 | H15 | 109.5° | 109.5° |
| C6 | C7 | H16 | 109.4° | 109.5° |
| C6 | C7 | H17 | 109.3° | 109.5° |
| C7 | C8 | N9 | 117.6° | 120.0° |
| C8 | C7 | H16 | 109.4° | 109.5° |
| C8 | C7 | H17 | 109.4° | 109.5° |
| C8 | N9 | C10 | 120.0° | 120.0° |
| C8 | N9 | H18 | 120.0° | 120.0° |
| N9 | C10 | C11 | 109.5° | 109.5° |
| C10 | N9 | H18 | 120.0° | 120.0° |
| N9 | C10 | H19 | 109.5° | 109.5° |
| N9 | C10 | H20 | 109.5° | 109.5° |
| C10 | C11 | S12 | 109.6° | 109.4° |
| C11 | C10 | H19 | 109.4° | 109.5° |
| C11 | C10 | H20 | 109.5° | 109.5° |
| C10 | C11 | H21 | 109.4° | 109.5° |
| C10 | C11 | H22 | 109.5° | 109.4° |
| C11 | S12 | C13 | 97.3° | 100.0° |
| S12 | C11 | H21 | 109.4° | 109.5° |
| S12 | C11 | H22 | 109.4° | 109.5° |
| S12 | C13 | O13 | 119.9° | 120.0° |
| S12 | C13 | C14 | 97.1° | 120.0° |
| O13 | C13 | C14 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.6° |
| C13 | C14 | C19 | 120.0° | 120.6° |
| C15 | C14 | C19 | 119.4° | 118.8° |
| C14 | C15 | N16 | 120.4° | 120.6° |
| C14 | C15 | H25 | 119.8° | 119.7° |
| C14 | C19 | C18 | 118.8° | 118.3° |
| C14 | C19 | H28 | 120.6° | 120.8° |
| C15 | N16 | C17 | 121.3° | 121.9° |
| N16 | C15 | H25 | 119.8° | 119.7° |
| N16 | C17 | C18 | 120.6° | 121.1° |
| N16 | C17 | H26 | 119.7° | 119.5° |
| C17 | C18 | C19 | 119.2° | 119.3° |
| C18 | C17 | H26 | 119.7° | 119.5° |
| C17 | C18 | H27 | 120.4° | 120.3° |
| C19 | C18 | H27 | 120.4° | 120.4° |
| C18 | C19 | H28 | 120.6° | 120.8° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H5 | CE1 | H6 | 109.5° | 109.4° |
| H5 | CE1 | H7 | 109.5° | 109.5° |
| H6 | CE1 | H7 | 109.5° | 109.5° |
| H8 | CE2 | H9 | 109.5° | 109.4° |
| H8 | CE2 | H10 | 109.5° | 109.4° |
| H9 | CE2 | H10 | 109.5° | 109.5° |
| H14 | C6 | H15 | 109.4° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.4° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C8 | C7 | C6 | 149.6° | 0.1° |
| O8 | C8 | C7 | N9 | 173.5° | 179.9° |
| O8 | C8 | N9 | C10 | 75.2° | 0.1° |
| O8 | C8 | C7 | H16 | 90.3° | 120.0° |
| O8 | C8 | C7 | H17 | 29.5° | 120.1° |
| O8 | C8 | N9 | H18 | 104.8° | 180.0° |
| O1P | P | O2P | O3P | 123.7° | 120.0° |
| O1P | P | O2P | O1 | 113.4° | 120.0° |
| O1P | P | O3P | O1 | 84.8° | 120.0° |
| O1P | P | O3P | C1 | 36.5° | 65.0° |
| O1P | P | O2P | H2 | 113.4° | 60.0° |
| O2P | P | O3P | O1 | 144.7° | 120.0° |
| O2P | P | O3P | C1 | 94.0° | 175.0° |
| O2P | P | O1P | H1 | 140.8° | 60.0° |
| P | O3P | C1 | C2 | 155.5° | 180.0° |
| O3P | P | O1P | H1 | 95.5° | 60.0° |
| O3P | P | O2P | H2 | 123.0° | 180.0° |
| P | O3P | C1 | H3 | 84.5° | 59.9° |
| P | O3P | C1 | H4 | 35.4° | 60.0° |
| C3 | C4 | O4 | N5 | 177.0° | 179.9° |
| C4 | C3 | C2 | C1 | 61.0° | 54.6° |
| C4 | C3 | C2 | CE1 | 179.2° | 174.6° |
| C4 | C3 | C2 | CE2 | 59.7° | 65.4° |
| C4 | C3 | C2 | O3 | 119.8° | 120.0° |
| C4 | C3 | C2 | H11 | 119.3° | 120.0° |
| C4 | C3 | O3 | H11 | 120.0° | 120.1° |
| C3 | C4 | N5 | C6 | 126.6° | 175.1° |
| C4 | C3 | O3 | H12 | 180.0° | 59.9° |
| C3 | C4 | N5 | H13 | 53.3° | 5.0° |
| O4 | C4 | C3 | C2 | 85.7° | 107.2° |
| O4 | C4 | C3 | O3 | 154.6° | 12.8° |
| O4 | C4 | N5 | C6 | 50.5° | 4.8° |
| O4 | C4 | C3 | H11 | 33.7° | 132.8° |
| O4 | C4 | N5 | H13 | 129.5° | 175.1° |
| N5 | C4 | C3 | C2 | 91.5° | 72.9° |
| N5 | C4 | C3 | O3 | 28.3° | 167.2° |
| C4 | N5 | C6 | H13 | 180.0° | 179.9° |
| C4 | N5 | C6 | C7 | 166.3° | 180.0° |
| N5 | C4 | C3 | H11 | 149.2° | 47.1° |
| C4 | N5 | C6 | H14 | 46.2° | 59.9° |
| C4 | N5 | C6 | H15 | 73.8° | 60.0° |
| C1 | C2 | CE1 | CE2 | 120.9° | 120.0° |
| C1 | C2 | CE1 | C3 | 119.7° | 119.9° |
| C1 | C2 | CE2 | C3 | 120.1° | 120.0° |
| C2 | C1 | O3P | H3 | 120.0° | 120.1° |
| C2 | C1 | O3P | H4 | 120.1° | 120.0° |
| C1 | C2 | C3 | O3 | 179.2° | 65.4° |
| C2 | C1 | H3 | H4 | 119.8° | 120.0° |
| C1 | C2 | CE1 | H5 | 180.0° | 65.2° |
| C1 | C2 | CE1 | H6 | 60.0° | 174.8° |
| C1 | C2 | CE1 | H7 | 60.0° | 54.8° |
| C1 | C2 | CE2 | H8 | 180.0° | 52.9° |
| C1 | C2 | CE2 | H9 | 60.0° | 172.9° |
| C1 | C2 | CE2 | H10 | 60.0° | 67.1° |
| C1 | C2 | C3 | H11 | 58.3° | 174.6° |
| CE1 | C2 | CE2 | C3 | 119.5° | 120.0° |
| CE1 | C2 | C1 | O3P | 48.5° | 60.0° |
| CE1 | C2 | C3 | O3 | 59.4° | 54.6° |
| CE1 | C2 | C1 | H3 | 168.5° | 60.0° |
| CE1 | C2 | C1 | H4 | 71.6° | 180.0° |
| C2 | CE1 | H5 | H6 | 120.0° | 120.0° |
| C2 | CE1 | H5 | H7 | 120.0° | 120.0° |
| C2 | CE1 | H6 | H7 | 120.0° | 120.0° |
| CE1 | C2 | CE2 | H8 | 59.6° | 172.9° |
| CE1 | C2 | CE2 | H9 | 179.6° | 67.1° |
| CE1 | C2 | CE2 | H10 | 60.4° | 52.9° |
| CE1 | C2 | C3 | H11 | 61.5° | 65.4° |
| CE2 | C2 | C1 | O3P | 71.7° | 60.0° |
| CE2 | C2 | C3 | O3 | 60.1° | 174.6° |
| CE2 | C2 | C1 | H3 | 48.3° | 180.0° |
| CE2 | C2 | C1 | H4 | 168.2° | 60.0° |
| CE2 | C2 | CE1 | H5 | 59.2° | 54.8° |
| CE2 | C2 | CE1 | H6 | 60.8° | 65.1° |
| CE2 | C2 | CE1 | H7 | 179.2° | 174.9° |
| C2 | CE2 | H8 | H9 | 120.0° | 120.0° |
| C2 | CE2 | H8 | H10 | 120.0° | 120.0° |
| C2 | CE2 | H9 | H10 | 120.0° | 120.1° |
| CE2 | C2 | C3 | H11 | 179.0° | 54.6° |
| C3 | C2 | C1 | O3P | 168.2° | 180.0° |
| C2 | C3 | O3 | H11 | 120.0° | 120.0° |
| C3 | C2 | C1 | H3 | 71.8° | 60.0° |
| C3 | C2 | C1 | H4 | 48.1° | 60.0° |
| C3 | C2 | CE1 | H5 | 60.3° | 174.8° |
| C3 | C2 | CE1 | H6 | 179.7° | 54.9° |
| C3 | C2 | CE1 | H7 | 59.7° | 65.1° |
| C3 | C2 | CE2 | H8 | 59.9° | 67.1° |
| C3 | C2 | CE2 | H9 | 60.1° | 52.9° |
| C3 | C2 | CE2 | H10 | 179.9° | 172.9° |
| C2 | C3 | O3 | H12 | 60.1° | 60.0° |
| O3P | C1 | H3 | H4 | 119.8° | 120.0° |
| C1 | O3P | P | O1 | 121.4° | 55.0° |
| N5 | C6 | C7 | H14 | 120.0° | 120.0° |
| N5 | C6 | C7 | H15 | 120.0° | 120.0° |
| N5 | C6 | C7 | C8 | 84.2° | 180.0° |
| N5 | C6 | H14 | H15 | 120.1° | 120.0° |
| N5 | C6 | C7 | H16 | 155.7° | 60.0° |
| N5 | C6 | C7 | H17 | 35.9° | 59.9° |
| C6 | C7 | C8 | H16 | 120.1° | 120.0° |
| C6 | C7 | C8 | H17 | 120.0° | 120.0° |
| C6 | C7 | C8 | N9 | 36.9° | 180.0° |
| C7 | C6 | N5 | H13 | 13.8° | 0.0° |
| C7 | C6 | H14 | H15 | 120.1° | 120.0° |
| C6 | C7 | H16 | H17 | 119.7° | 119.9° |
| C7 | C8 | N9 | C10 | 98.3° | 180.0° |
| C8 | C7 | C6 | H14 | 35.8° | 60.0° |
| C8 | C7 | C6 | H15 | 155.8° | 60.0° |
| C8 | C7 | H16 | H17 | 119.8° | 120.0° |
| C7 | C8 | N9 | H18 | 81.7° | 0.1° |
| C8 | N9 | C10 | H18 | 180.0° | 179.9° |
| C8 | N9 | C10 | C11 | 90.2° | 180.0° |
| N9 | C8 | C7 | H16 | 83.2° | 59.9° |
| N9 | C8 | C7 | H17 | 157.0° | 60.0° |
| C8 | N9 | C10 | H19 | 149.8° | 59.9° |
| C8 | N9 | C10 | H20 | 29.8° | 60.0° |
| N9 | C10 | C11 | H19 | 120.0° | 120.0° |
| N9 | C10 | C11 | H20 | 120.0° | 120.0° |
| N9 | C10 | C11 | S12 | 141.9° | 180.0° |
| N9 | C10 | H19 | H20 | 120.0° | 120.0° |
| N9 | C10 | C11 | H21 | 21.8° | 60.0° |
| N9 | C10 | C11 | H22 | 98.1° | 60.1° |
| C10 | C11 | S12 | H21 | 120.0° | 120.0° |
| C10 | C11 | S12 | H22 | 120.0° | 119.9° |
| C10 | C11 | S12 | C13 | 107.6° | 180.0° |
| C11 | C10 | N9 | H18 | 89.8° | 0.0° |
| C11 | C10 | H19 | H20 | 120.0° | 120.0° |
| C10 | C11 | H21 | H22 | 119.9° | 120.0° |
| C11 | S12 | C13 | O13 | 60.2° | 0.0° |
| C11 | S12 | C13 | C14 | 169.0° | 180.0° |
| S12 | C11 | C10 | H19 | 98.1° | 60.0° |
| S12 | C11 | C10 | H20 | 21.9° | 60.0° |
| S12 | C11 | H21 | H22 | 119.9° | 120.1° |
| S12 | C13 | O13 | C14 | 119.9° | 180.0° |
| S12 | C13 | C14 | C15 | 54.2° | 0.0° |
| S12 | C13 | C14 | C19 | 116.9° | 179.7° |
| C13 | S12 | C11 | H21 | 132.4° | 60.0° |
| C13 | S12 | C11 | H22 | 12.5° | 60.1° |
| O13 | C13 | C14 | C15 | 76.5° | 180.0° |
| O13 | C13 | C14 | C19 | 112.4° | 0.3° |
| C13 | C14 | C15 | C19 | 171.2° | 179.7° |
| C13 | C14 | C15 | N16 | 173.7° | 180.0° |
| C13 | C14 | C19 | C18 | 176.2° | 179.7° |
| C13 | C14 | C15 | H25 | 6.3° | 0.0° |
| C13 | C14 | C19 | H28 | 3.8° | 0.0° |
| C14 | C15 | N16 | H25 | 180.0° | 180.0° |
| C14 | C15 | N16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C19 | C18 | 5.0° | 0.5° |
| C15 | C14 | C19 | H28 | 175.0° | 179.8° |
| C19 | C14 | C15 | N16 | 2.5° | 0.2° |
| C14 | C19 | C18 | C17 | 5.1° | 0.6° |
| C14 | C19 | C18 | H28 | 180.0° | 179.7° |
| C19 | C14 | C15 | H25 | 177.5° | 179.8° |
| C14 | C19 | C18 | H27 | 174.9° | 179.8° |
| C15 | N16 | C17 | C18 | 0.0° | 0.0° |
| C15 | N16 | C17 | H26 | 180.0° | 180.0° |
| N16 | C17 | C18 | H26 | 180.0° | 180.0° |
| N16 | C17 | C18 | C19 | 2.6° | 0.3° |
| C17 | N16 | C15 | H25 | 180.0° | 180.0° |
| N16 | C17 | C18 | H27 | 177.4° | 180.0° |
| C17 | C18 | C19 | H27 | 180.0° | 179.7° |
| C17 | C18 | C19 | H28 | 174.9° | 179.7° |
| C19 | C18 | C17 | H26 | 177.4° | 179.6° |
| H1 | O1P | P | O1 | 0.0° | 180.0° |
| H2 | O2P | P | O1 | 0.0° | 60.0° |
| H5 | CE1 | H6 | H7 | 120.0° | 120.0° |
| H8 | CE2 | H9 | H10 | 120.0° | 119.9° |
| H11 | C3 | O3 | H12 | 60.0° | 180.0° |
| H13 | N5 | C6 | H14 | 133.8° | 120.0° |
| H13 | N5 | C6 | H15 | 106.2° | 120.1° |
| H14 | C6 | C7 | H16 | 84.3° | 180.0° |
| H14 | C6 | C7 | H17 | 155.9° | 60.1° |
| H15 | C6 | C7 | H16 | 35.7° | 60.0° |
| H15 | C6 | C7 | H17 | 84.1° | 179.9° |
| H18 | N9 | C10 | H19 | 30.2° | 120.0° |
| H18 | N9 | C10 | H20 | 150.2° | 120.1° |
| H19 | C10 | C11 | H21 | 141.9° | 180.0° |
| H19 | C10 | C11 | H22 | 21.9° | 59.9° |
| H20 | C10 | C11 | H21 | 98.1° | 60.0° |
| H20 | C10 | C11 | H22 | 141.9° | 180.0° |
| H26 | C17 | C18 | H27 | 2.6° | 0.0° |
| H27 | C18 | C19 | H28 | 5.1° | 0.1° |
