O2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | P24 | doub | 1.55Å | 1.51Å | |
| P24 | O23 | sing | 1.61Å | 1.61Å | |
| P24 | O28 | sing | 1.61Å | 1.51Å | |
| P24 | O30 | sing | 1.54Å | 1.51Å | |
| O23 | P22 | sing | 1.61Å | 1.61Å | |
| O17 | C16 | sing | 1.43Å | 1.43Å | |
| S13 | C12 | sing | 1.71Å | 1.79Å | Aromatic |
| S13 | C14 | sing | 1.76Å | 1.82Å | Aromatic |
| N9 | C8 | sing | 1.39Å | 1.48Å | |
| O27 | P22 | doub | 1.48Å | 1.51Å | |
| O18 | C16 | sing | 1.43Å | 1.42Å | |
| P22 | O25 | sing | 1.61Å | 1.51Å | |
| P22 | O21 | sing | 1.61Å | 1.62Å | |
| C16 | C12 | sing | 1.51Å | 1.53Å | |
| C16 | C5 | sing | 1.51Å | 1.59Å | |
| C19 | C14 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C12 | N11 | doub | 1.29Å | 1.35Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.36Å | Aromatic |
| N7 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| N7 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C8 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | O7 | doub | 1.21Å | 1.28Å | |
| C5 | O6 | sing | 1.34Å | 1.28Å | |
| N11 | C15 | sing | 1.32Å | 1.42Å | Aromatic |
| N11 | C1 | sing | 1.46Å | 1.49Å | |
| C15 | C2 | sing | 1.51Å | 1.50Å | |
| C10 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N9 | H4 | sing | 0.97Å | 1.00Å | |
| N9 | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| O25 | H13 | sing | 0.97Å | 0.95Å | |
| O28 | H14 | sing | 0.97Å | 0.95Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| O17 | H19 | sing | 0.97Å | 0.95Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | P24 | O23 | 102.2° | 109.4° |
| O29 | P24 | O28 | 114.0° | 109.5° |
| O29 | P24 | O30 | 114.0° | 109.5° |
| O23 | P24 | O28 | 105.3° | 109.5° |
| O23 | P24 | O30 | 106.0° | 109.5° |
| P24 | O23 | P22 | 124.4° | 134.0° |
| O28 | P24 | O30 | 113.9° | 109.5° |
| P24 | O28 | H14 | 109.5° | 114.0° |
| O23 | P22 | O27 | 108.3° | 109.5° |
| O23 | P22 | O25 | 108.6° | 109.5° |
| O23 | P22 | O21 | 103.8° | 109.4° |
| O17 | C16 | O18 | 114.4° | 109.4° |
| O17 | C16 | C12 | 101.0° | 109.5° |
| O17 | C16 | C5 | 105.3° | 109.5° |
| C16 | O17 | H19 | 109.5° | 113.9° |
| C12 | S13 | C14 | 89.3° | 90.3° |
| S13 | C12 | C16 | 118.9° | 124.9° |
| S13 | C12 | N11 | 111.3° | 110.2° |
| S13 | C14 | C19 | 120.4° | 126.1° |
| S13 | C14 | C15 | 110.9° | 107.9° |
| N9 | C8 | N7 | 118.7° | 120.6° |
| N9 | C8 | C3 | 121.5° | 120.5° |
| C8 | N9 | H4 | 109.5° | 119.9° |
| C8 | N9 | H5 | 109.5° | 120.0° |
| O27 | P22 | O25 | 117.8° | 109.5° |
| O27 | P22 | O21 | 109.5° | 109.5° |
| O18 | C16 | C12 | 103.0° | 109.5° |
| O18 | C16 | C5 | 117.8° | 109.5° |
| C16 | O18 | H20 | 109.5° | 113.9° |
| O25 | P22 | O21 | 108.0° | 109.4° |
| P22 | O25 | H13 | 109.5° | 114.0° |
| P22 | O21 | C20 | 125.3° | 123.0° |
| C12 | C16 | C5 | 114.2° | 109.5° |
| C16 | C12 | N11 | 129.8° | 125.0° |
| C16 | C5 | O7 | 115.3° | 120.1° |
| C16 | C5 | O6 | 117.9° | 120.0° |
| C14 | C19 | C20 | 112.0° | 109.5° |
| C19 | C14 | C15 | 128.7° | 126.0° |
| C14 | C19 | H9 | 108.8° | 109.4° |
| C14 | C19 | H10 | 108.8° | 109.5° |
| C19 | C20 | O21 | 110.2° | 109.5° |
| C20 | C19 | H9 | 108.8° | 109.5° |
| C20 | C19 | H10 | 108.8° | 109.5° |
| C19 | C20 | H11 | 109.3° | 109.4° |
| C19 | C20 | H12 | 109.3° | 109.5° |
| C12 | N11 | C15 | 115.0° | 117.1° |
| C12 | N11 | C1 | 121.5° | 121.4° |
| C14 | C15 | N11 | 113.5° | 114.5° |
| C14 | C15 | C2 | 126.0° | 122.8° |
| C8 | N7 | C6 | 120.5° | 120.7° |
| N7 | C8 | C3 | 119.8° | 118.9° |
| N7 | C6 | C10 | 120.0° | 119.1° |
| N7 | C6 | N5 | 120.4° | 121.8° |
| O21 | C20 | H11 | 109.3° | 109.5° |
| O21 | C20 | H12 | 109.3° | 109.5° |
| C8 | C3 | C1 | 122.9° | 120.8° |
| C8 | C3 | C4 | 118.3° | 118.3° |
| O7 | C5 | O6 | 126.8° | 120.0° |
| C5 | O6 | H21 | 109.5° | 117.0° |
| C15 | N11 | C1 | 123.5° | 121.4° |
| N11 | C15 | C2 | 120.4° | 122.7° |
| N11 | C1 | C3 | 113.2° | 109.5° |
| N11 | C1 | H1 | 108.5° | 109.5° |
| N11 | C1 | H2 | 108.5° | 109.5° |
| C15 | C2 | H16 | 109.5° | 109.5° |
| C15 | C2 | H17 | 109.5° | 109.5° |
| C15 | C2 | H18 | 109.5° | 109.5° |
| C10 | C6 | N5 | 119.7° | 119.1° |
| C6 | C10 | H6 | 109.5° | 109.5° |
| C6 | C10 | H7 | 109.5° | 109.5° |
| C6 | C10 | H8 | 109.5° | 109.5° |
| C6 | N5 | C4 | 121.0° | 121.1° |
| C1 | C3 | C4 | 118.8° | 120.8° |
| C3 | C1 | H1 | 108.5° | 109.5° |
| C3 | C1 | H2 | 108.5° | 109.5° |
| C3 | C4 | N5 | 120.0° | 119.1° |
| C3 | C4 | H3 | 120.0° | 120.4° |
| N5 | C4 | H3 | 120.0° | 120.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | N9 | H5 | 109.5° | 120.1° |
| H6 | C10 | H7 | 109.5° | 109.4° |
| H6 | C10 | H8 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H16 | C2 | H18 | 109.4° | 109.4° |
| H17 | C2 | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | P24 | O23 | O28 | 119.4° | 120.0° |
| O29 | P24 | O23 | O30 | 119.6° | 120.0° |
| O29 | P24 | O28 | O30 | 133.2° | 120.0° |
| O29 | P24 | O23 | P22 | 170.1° | 40.0° |
| O29 | P24 | O28 | H14 | 0.0° | 60.0° |
| O23 | P24 | O28 | O30 | 115.7° | 120.0° |
| P24 | O23 | P22 | O27 | 175.4° | 40.0° |
| P24 | O23 | P22 | O25 | 46.4° | 80.0° |
| P24 | O23 | P22 | O21 | 68.3° | 160.0° |
| O23 | P24 | O28 | H14 | 111.2° | 179.9° |
| O28 | P24 | O23 | P22 | 50.7° | 160.0° |
| O30 | P24 | O23 | P22 | 70.3° | 80.0° |
| O30 | P24 | O28 | H14 | 133.2° | 60.0° |
| O23 | P22 | O27 | O25 | 123.6° | 120.0° |
| O23 | P22 | O27 | O21 | 112.5° | 120.0° |
| O23 | P22 | O25 | O21 | 111.9° | 120.0° |
| O23 | P22 | O21 | C20 | 43.4° | 175.0° |
| O23 | P22 | O25 | H13 | 123.4° | 60.0° |
| O17 | C16 | C12 | S13 | 0.4° | 94.6° |
| O17 | C16 | O18 | C12 | 108.7° | 120.0° |
| O17 | C16 | O18 | C5 | 124.5° | 119.9° |
| O17 | C16 | C12 | C5 | 112.5° | 120.0° |
| O17 | C16 | C12 | N11 | 179.6° | 85.4° |
| O17 | C16 | C5 | O7 | 31.9° | 4.9° |
| O17 | C16 | C5 | O6 | 148.4° | 175.0° |
| O17 | C16 | O18 | H20 | 180.0° | 174.8° |
| S13 | C12 | C16 | O18 | 118.1° | 145.4° |
| S13 | C12 | C16 | N11 | 180.0° | 180.0° |
| S13 | C12 | C16 | C5 | 112.9° | 25.4° |
| C12 | S13 | C14 | C19 | 179.4° | 180.0° |
| C12 | S13 | C14 | C15 | 0.1° | 0.0° |
| S13 | C12 | N11 | C15 | 0.3° | 0.0° |
| S13 | C12 | N11 | C1 | 179.8° | 179.7° |
| C14 | S13 | C12 | C16 | 179.7° | 180.0° |
| S13 | C14 | C19 | C15 | 179.2° | 180.0° |
| S13 | C14 | C19 | C20 | 83.5° | 90.0° |
| C14 | S13 | C12 | N11 | 0.2° | 0.0° |
| S13 | C14 | C15 | N11 | 0.1° | 0.0° |
| S13 | C14 | C15 | C2 | 179.6° | 179.7° |
| S13 | C14 | C19 | H9 | 156.1° | 30.0° |
| S13 | C14 | C19 | H10 | 36.9° | 150.0° |
| N9 | C8 | N7 | C3 | 179.4° | 179.4° |
| N9 | C8 | N7 | C6 | 179.8° | 180.0° |
| N9 | C8 | C3 | C1 | 0.8° | 0.3° |
| N9 | C8 | C3 | C4 | 179.8° | 180.0° |
| C8 | N9 | H4 | H5 | 120.0° | 180.0° |
| O27 | P22 | O25 | O21 | 124.7° | 120.0° |
| O27 | P22 | O21 | C20 | 72.0° | 55.0° |
| O27 | P22 | O25 | H13 | 0.0° | 180.0° |
| O18 | C16 | C12 | C5 | 129.0° | 120.0° |
| O18 | C16 | C12 | N11 | 61.9° | 34.6° |
| O18 | C16 | C5 | O7 | 160.9° | 115.0° |
| O18 | C16 | C5 | O6 | 19.5° | 65.1° |
| O18 | C16 | O17 | H19 | 145.8° | 180.0° |
| O25 | P22 | O21 | C20 | 158.6° | 65.1° |
| P22 | O21 | C20 | C19 | 50.3° | 180.0° |
| P22 | O21 | C20 | H11 | 69.8° | 60.0° |
| P22 | O21 | C20 | H12 | 170.4° | 59.9° |
| O21 | P22 | O25 | H13 | 124.7° | 60.0° |
| C12 | C16 | C5 | O7 | 78.0° | 125.0° |
| C12 | C16 | C5 | O6 | 101.7° | 54.9° |
| C16 | C12 | N11 | C15 | 179.7° | 180.0° |
| C16 | C12 | N11 | C1 | 0.1° | 0.3° |
| C12 | C16 | O17 | H19 | 104.3° | 60.0° |
| C12 | C16 | O18 | H20 | 71.3° | 65.2° |
| C5 | C16 | C12 | N11 | 67.1° | 154.6° |
| C16 | C5 | O7 | O6 | 179.7° | 179.9° |
| C5 | C16 | O17 | H19 | 14.8° | 60.0° |
| C5 | C16 | O18 | H20 | 55.5° | 54.9° |
| C16 | C5 | O6 | H21 | 179.7° | 180.0° |
| C14 | C19 | C20 | H9 | 120.4° | 120.0° |
| C14 | C19 | C20 | H10 | 120.4° | 120.1° |
| C14 | C19 | C20 | O21 | 154.1° | 180.0° |
| C19 | C14 | C15 | N11 | 179.2° | 180.0° |
| C19 | C14 | C15 | C2 | 1.1° | 0.3° |
| C14 | C19 | H9 | H10 | 118.8° | 120.0° |
| C14 | C19 | C20 | H11 | 85.8° | 60.0° |
| C14 | C19 | C20 | H12 | 34.1° | 59.9° |
| C20 | C19 | C14 | C15 | 97.3° | 90.0° |
| C19 | C20 | O21 | H11 | 120.1° | 120.0° |
| C19 | C20 | O21 | H12 | 120.1° | 120.0° |
| C20 | C19 | H9 | H10 | 118.8° | 120.0° |
| C19 | C20 | H11 | H12 | 119.7° | 119.9° |
| C12 | N11 | C15 | C14 | 0.2° | 0.0° |
| C12 | N11 | C15 | C1 | 179.5° | 179.7° |
| C12 | N11 | C15 | C2 | 179.5° | 179.7° |
| C12 | N11 | C1 | C3 | 114.1° | 83.7° |
| C12 | N11 | C1 | H1 | 125.4° | 36.3° |
| C12 | N11 | C1 | H2 | 6.5° | 156.2° |
| C14 | C15 | N11 | C2 | 179.7° | 179.7° |
| C14 | C15 | N11 | C1 | 179.8° | 179.7° |
| C15 | C14 | C19 | H9 | 23.1° | 150.0° |
| C15 | C14 | C19 | H10 | 142.3° | 30.0° |
| C14 | C15 | C2 | H16 | 89.8° | 89.4° |
| C14 | C15 | C2 | H17 | 150.2° | 30.6° |
| C14 | C15 | C2 | H18 | 30.2° | 150.6° |
| C8 | N7 | C6 | C10 | 179.9° | 179.7° |
| C8 | N7 | C6 | N5 | 0.1° | 0.4° |
| N7 | C8 | C3 | C1 | 179.8° | 179.7° |
| N7 | C8 | C3 | C4 | 0.8° | 0.5° |
| N7 | C8 | N9 | H4 | 0.0° | 20.6° |
| N7 | C8 | N9 | H5 | 120.0° | 159.4° |
| C6 | N7 | C8 | C3 | 0.4° | 0.6° |
| N7 | C6 | C10 | N5 | 179.8° | 179.9° |
| N7 | C6 | N5 | C4 | 0.2° | 0.1° |
| N7 | C6 | C10 | H6 | 0.0° | 90.1° |
| N7 | C6 | C10 | H7 | 120.0° | 29.9° |
| N7 | C6 | C10 | H8 | 120.0° | 150.0° |
| O21 | C20 | C19 | H9 | 33.8° | 60.0° |
| O21 | C20 | C19 | H10 | 85.5° | 59.9° |
| O21 | C20 | H11 | H12 | 119.7° | 120.0° |
| C8 | C3 | C1 | N11 | 50.8° | 89.2° |
| C8 | C3 | C1 | C4 | 179.0° | 179.7° |
| C8 | C3 | C4 | N5 | 0.6° | 0.2° |
| C8 | C3 | C1 | H1 | 171.3° | 150.8° |
| C8 | C3 | C1 | H2 | 69.8° | 30.8° |
| C8 | C3 | C4 | H3 | 179.4° | 179.8° |
| C3 | C8 | N9 | H4 | 179.4° | 160.0° |
| C3 | C8 | N9 | H5 | 59.4° | 20.0° |
| O7 | C5 | O6 | H21 | 0.0° | 0.1° |
| C15 | N11 | C1 | C3 | 66.4° | 96.5° |
| C15 | N11 | C1 | H1 | 54.1° | 143.4° |
| C15 | N11 | C1 | H2 | 173.0° | 23.5° |
| N11 | C15 | C2 | H16 | 89.9° | 90.9° |
| N11 | C15 | C2 | H17 | 30.2° | 149.0° |
| N11 | C15 | C2 | H18 | 150.1° | 29.1° |
| C1 | N11 | C15 | C2 | 0.1° | 0.1° |
| N11 | C1 | C3 | H1 | 120.5° | 120.0° |
| N11 | C1 | C3 | H2 | 120.5° | 120.0° |
| N11 | C1 | C3 | C4 | 128.2° | 90.5° |
| N11 | C1 | H1 | H2 | 118.3° | 120.0° |
| C15 | C2 | H16 | H17 | 120.0° | 120.0° |
| C15 | C2 | H16 | H18 | 120.0° | 120.1° |
| C15 | C2 | H17 | H18 | 120.0° | 120.0° |
| C10 | C6 | N5 | C4 | 180.0° | 180.0° |
| C6 | C10 | H6 | H7 | 120.0° | 120.0° |
| C6 | C10 | H6 | H8 | 120.0° | 120.0° |
| C6 | C10 | H7 | H8 | 120.0° | 120.0° |
| C6 | N5 | C4 | C3 | 0.1° | 0.0° |
| C6 | N5 | C4 | H3 | 179.9° | 179.9° |
| N5 | C6 | C10 | H6 | 179.8° | 90.0° |
| N5 | C6 | C10 | H7 | 59.8° | 150.0° |
| N5 | C6 | C10 | H8 | 60.2° | 29.9° |
| C1 | C3 | C4 | N5 | 179.6° | 180.0° |
| C3 | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | C3 | C4 | H3 | 0.4° | 0.1° |
| C3 | C4 | N5 | H3 | 180.0° | 179.9° |
| C4 | C3 | C1 | H1 | 7.7° | 29.5° |
| C4 | C3 | C1 | H2 | 111.2° | 149.4° |
| H6 | C10 | H7 | H8 | 120.0° | 119.9° |
| H9 | C19 | C20 | H11 | 153.8° | 180.0° |
| H9 | C19 | C20 | H12 | 86.3° | 60.0° |
| H10 | C19 | C20 | H11 | 34.6° | 60.1° |
| H10 | C19 | C20 | H12 | 154.4° | 180.0° |
| H16 | C2 | H17 | H18 | 120.0° | 119.9° |
