TD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| O3B | PB | sing | 1.61Å | 1.52Å | |
| O1A | PA | doub | 1.48Å | 1.53Å | |
| O3A | PB | sing | 1.61Å | 1.60Å | |
| O3A | PA | sing | 1.61Å | 1.59Å | |
| PB | O1B | sing | 1.61Å | 1.52Å | |
| O2A | PA | sing | 1.61Å | 1.49Å | |
| PA | O7 | sing | 1.61Å | 1.58Å | |
| O7 | C7 | sing | 1.43Å | 1.39Å | |
| C7 | C6 | sing | 1.53Å | 1.57Å | |
| C6 | C5 | sing | 1.51Å | 1.56Å | |
| C5 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C5 | C4 | doub | 1.34Å | 1.40Å | Aromatic |
| S1 | C2 | sing | 1.71Å | 1.74Å | Aromatic |
| C4 | CM4 | sing | 1.51Å | 1.56Å | |
| C4 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| OL1 | C11 | sing | 1.43Å | 1.43Å | |
| C2 | N3 | doub | 1.29Å | 1.36Å | Aromatic |
| C2 | C11 | sing | 1.51Å | 1.52Å | |
| N3 | C7' | sing | 1.46Å | 1.48Å | |
| N4' | C4' | sing | 1.39Å | 1.32Å | |
| C11 | CLB | sing | 1.53Å | 1.56Å | |
| N3' | C4' | doub | 1.33Å | 1.36Å | Aromatic |
| N3' | C2' | sing | 1.32Å | 1.33Å | Aromatic |
| C4' | C5' | sing | 1.40Å | 1.41Å | Aromatic |
| CM2 | C2' | sing | 1.51Å | 1.58Å | |
| C2' | N1' | doub | 1.32Å | 1.35Å | Aromatic |
| C5' | C7' | sing | 1.51Å | 1.55Å | |
| C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| CLB | C13 | sing | 1.53Å | 1.55Å | |
| N1' | C6' | sing | 1.33Å | 1.36Å | Aromatic |
| C13 | CLC | sing | 1.51Å | 1.50Å | |
| CLC | OL3 | doub | 1.21Å | 1.26Å | |
| CLC | OL2 | sing | 1.34Å | 1.25Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| O1B | H2 | sing | 0.97Å | 0.95Å | |
| O2A | H3 | sing | 0.97Å | 0.95Å | |
| O3B | H4 | sing | 0.97Å | 0.95Å | |
| N4' | HN4' | sing | 0.97Å | 1.00Å | |
| N4' | HN4A | sing | 0.97Å | 1.00Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | H7'A | sing | 1.09Å | 1.10Å | |
| C7' | H7' | sing | 1.09Å | 1.10Å | |
| OL1 | HOL1 | sing | 0.97Å | 0.95Å | |
| OL2 | H5 | sing | 0.97Å | 0.95Å | |
| CLB | HLB | sing | 1.09Å | 1.10Å | |
| CLB | HLBA | sing | 1.09Å | 1.10Å | |
| CM2 | HM2B | sing | 1.09Å | 1.10Å | |
| CM2 | HM2 | sing | 1.09Å | 1.10Å | |
| CM2 | HM2A | sing | 1.09Å | 1.10Å | |
| CM4 | HM4A | sing | 1.09Å | 1.10Å | |
| CM4 | HM4B | sing | 1.09Å | 1.10Å | |
| CM4 | HM4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2B | PB | O3B | 108.2° | 109.5° |
| O2B | PB | O3A | 103.0° | 109.5° |
| O2B | PB | O1B | 111.4° | 109.5° |
| O3B | PB | O3A | 109.2° | 109.4° |
| O3B | PB | O1B | 111.1° | 109.5° |
| PB | O3B | H4 | 109.5° | 114.0° |
| O1A | PA | O3A | 111.4° | 109.5° |
| O1A | PA | O2A | 112.0° | 109.5° |
| O1A | PA | O7 | 109.7° | 109.5° |
| PB | O3A | PA | 127.9° | 134.0° |
| O3A | PB | O1B | 113.5° | 109.5° |
| O3A | PA | O2A | 108.0° | 109.4° |
| O3A | PA | O7 | 107.1° | 109.5° |
| PB | O1B | H2 | 109.5° | 114.0° |
| O2A | PA | O7 | 108.5° | 109.5° |
| PA | O2A | H3 | 109.5° | 114.0° |
| PA | O7 | C7 | 117.3° | 123.0° |
| O7 | C7 | C6 | 100.9° | 109.4° |
| O7 | C7 | H7A | 111.6° | 109.4° |
| O7 | C7 | H7 | 111.6° | 109.5° |
| C7 | C6 | C5 | 116.3° | 109.5° |
| C7 | C6 | H6 | 107.7° | 109.5° |
| C7 | C6 | H6A | 107.7° | 109.5° |
| C6 | C7 | H7A | 111.6° | 109.5° |
| C6 | C7 | H7 | 111.6° | 109.5° |
| C6 | C5 | S1 | 125.6° | 126.0° |
| C6 | C5 | C4 | 128.0° | 126.1° |
| C5 | C6 | H6 | 107.7° | 109.5° |
| C5 | C6 | H6A | 107.7° | 109.5° |
| S1 | C5 | C4 | 106.3° | 107.9° |
| C5 | S1 | C2 | 94.1° | 90.3° |
| C5 | C4 | CM4 | 122.3° | 122.7° |
| C5 | C4 | N3 | 116.0° | 114.5° |
| S1 | C2 | N3 | 108.2° | 110.1° |
| S1 | C2 | C11 | 126.5° | 124.9° |
| CM4 | C4 | N3 | 121.8° | 122.7° |
| C4 | CM4 | HM4A | 109.5° | 109.5° |
| C4 | CM4 | HM4B | 109.5° | 109.5° |
| C4 | CM4 | HM4 | 109.5° | 109.5° |
| C4 | N3 | C2 | 115.3° | 117.1° |
| C4 | N3 | C7' | 122.5° | 121.4° |
| OL1 | C11 | C2 | 107.3° | 109.5° |
| OL1 | C11 | CLB | 107.4° | 109.5° |
| OL1 | C11 | H1 | 114.8° | 109.5° |
| C11 | OL1 | HOL1 | 109.5° | 114.0° |
| N3 | C2 | C11 | 125.2° | 125.0° |
| C2 | N3 | C7' | 122.2° | 121.4° |
| C2 | C11 | CLB | 100.2° | 109.5° |
| C2 | C11 | H1 | 113.3° | 109.4° |
| N3 | C7' | C5' | 110.0° | 109.4° |
| N3 | C7' | H7'A | 109.4° | 109.5° |
| N3 | C7' | H7' | 109.3° | 109.5° |
| N4' | C4' | N3' | 116.1° | 120.5° |
| N4' | C4' | C5' | 123.7° | 120.5° |
| C4' | N4' | HN4' | 109.5° | 119.9° |
| C4' | N4' | HN4A | 109.4° | 120.0° |
| C11 | CLB | C13 | 116.1° | 109.5° |
| CLB | C11 | H1 | 112.6° | 109.4° |
| C11 | CLB | HLB | 107.8° | 109.5° |
| C11 | CLB | HLBA | 107.8° | 109.4° |
| C4' | N3' | C2' | 121.1° | 120.7° |
| N3' | C4' | C5' | 120.2° | 119.0° |
| N3' | C2' | CM2 | 119.7° | 119.1° |
| N3' | C2' | N1' | 119.7° | 121.8° |
| C4' | C5' | C7' | 124.7° | 120.9° |
| C4' | C5' | C6' | 117.3° | 118.3° |
| CM2 | C2' | N1' | 120.6° | 119.1° |
| C2' | CM2 | HM2B | 109.5° | 109.5° |
| C2' | CM2 | HM2 | 109.5° | 109.5° |
| C2' | CM2 | HM2A | 109.4° | 109.4° |
| C2' | N1' | C6' | 121.9° | 121.0° |
| C7' | C5' | C6' | 117.9° | 120.8° |
| C5' | C7' | H7'A | 109.3° | 109.4° |
| C5' | C7' | H7' | 109.4° | 109.4° |
| C5' | C6' | N1' | 119.7° | 119.2° |
| C5' | C6' | H6' | 120.1° | 120.4° |
| CLB | C13 | CLC | 113.8° | 109.4° |
| CLB | C13 | H13 | 108.4° | 109.5° |
| CLB | C13 | H13A | 108.4° | 109.5° |
| C13 | CLB | HLB | 107.8° | 109.5° |
| C13 | CLB | HLBA | 107.8° | 109.5° |
| N1' | C6' | H6' | 120.1° | 120.4° |
| C13 | CLC | OL3 | 121.7° | 120.0° |
| C13 | CLC | OL2 | 118.7° | 120.0° |
| CLC | C13 | H13 | 108.4° | 109.5° |
| CLC | C13 | H13A | 108.4° | 109.4° |
| OL3 | CLC | OL2 | 119.6° | 120.0° |
| CLC | OL2 | H5 | 109.5° | 117.0° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H7A | C7 | H7 | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| HN4' | N4' | HN4A | 109.5° | 120.1° |
| H7'A | C7' | H7' | 109.5° | 109.5° |
| HLB | CLB | HLBA | 109.5° | 109.5° |
| HM2B | CM2 | HM2 | 109.5° | 109.5° |
| HM2B | CM2 | HM2A | 109.4° | 109.4° |
| HM2 | CM2 | HM2A | 109.5° | 109.5° |
| HM4A | CM4 | HM4B | 109.5° | 109.4° |
| HM4A | CM4 | HM4 | 109.5° | 109.5° |
| HM4B | CM4 | HM4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2B | PB | O3B | O3A | 111.4° | 120.0° |
| O2B | PB | O3B | O1B | 122.6° | 120.0° |
| O2B | PB | O3A | O1B | 120.6° | 120.0° |
| O2B | PB | O3A | PA | 166.1° | 39.9° |
| O2B | PB | O1B | H2 | 0.0° | 60.0° |
| O2B | PB | O3B | H4 | 0.0° | 180.0° |
| O3B | PB | O3A | O1B | 124.6° | 120.0° |
| O3B | PB | O3A | PA | 51.2° | 80.0° |
| O3B | PB | O1B | H2 | 120.7° | 60.0° |
| O1A | PA | O3A | PB | 55.4° | 44.9° |
| O1A | PA | O3A | O2A | 123.5° | 120.0° |
| O1A | PA | O3A | O7 | 119.9° | 120.0° |
| O1A | PA | O2A | O7 | 121.2° | 120.0° |
| O1A | PA | O7 | C7 | 174.3° | 55.0° |
| O1A | PA | O2A | H3 | 0.0° | 180.0° |
| PB | O3A | PA | O2A | 178.9° | 75.1° |
| PB | O3A | PA | O7 | 64.5° | 165.0° |
| O3A | PB | O1B | H2 | 115.7° | 180.0° |
| O3A | PB | O3B | H4 | 111.4° | 60.0° |
| PA | O3A | PB | O1B | 73.3° | 160.0° |
| O3A | PA | O2A | O7 | 115.7° | 120.0° |
| O3A | PA | O7 | C7 | 64.6° | 175.0° |
| O3A | PA | O2A | H3 | 123.1° | 60.0° |
| O1B | PB | O3B | H4 | 122.6° | 60.0° |
| O2A | PA | O7 | C7 | 51.7° | 65.0° |
| PA | O7 | C7 | C6 | 161.5° | 180.0° |
| PA | O7 | C7 | H7A | 42.9° | 60.0° |
| PA | O7 | C7 | H7 | 79.9° | 60.0° |
| O7 | PA | O2A | H3 | 121.2° | 60.0° |
| O7 | C7 | C6 | H7A | 118.6° | 119.9° |
| O7 | C7 | C6 | H7 | 118.6° | 120.0° |
| O7 | C7 | C6 | C5 | 177.2° | 180.0° |
| O7 | C7 | C6 | H6 | 61.8° | 60.1° |
| O7 | C7 | C6 | H6A | 56.2° | 60.0° |
| O7 | C7 | H7A | H7 | 124.0° | 120.0° |
| C7 | C6 | C5 | H6 | 121.0° | 120.0° |
| C7 | C6 | C5 | H6A | 121.0° | 120.0° |
| C7 | C6 | C5 | S1 | 65.5° | 90.0° |
| C7 | C6 | C5 | C4 | 113.7° | 90.1° |
| C7 | C6 | H6 | H6A | 116.9° | 120.0° |
| C6 | C7 | H7A | H7 | 124.0° | 120.1° |
| C6 | C5 | S1 | C4 | 179.4° | 180.0° |
| C6 | C5 | S1 | C2 | 179.1° | 180.0° |
| C6 | C5 | C4 | CM4 | 0.8° | 0.0° |
| C6 | C5 | C4 | N3 | 179.6° | 179.9° |
| C5 | C6 | H6 | H6A | 116.9° | 120.0° |
| C5 | C6 | C7 | H7A | 58.6° | 60.0° |
| C5 | C6 | C7 | H7 | 64.2° | 60.0° |
| S1 | C5 | C4 | CM4 | 178.6° | 180.0° |
| S1 | C5 | C4 | N3 | 1.0° | 0.1° |
| C5 | S1 | C2 | N3 | 1.8° | 0.0° |
| C5 | S1 | C2 | C11 | 176.3° | 180.0° |
| S1 | C5 | C6 | H6 | 173.5° | 30.0° |
| S1 | C5 | C6 | H6A | 55.5° | 150.0° |
| C4 | C5 | S1 | C2 | 1.6° | 0.0° |
| C5 | C4 | CM4 | N3 | 179.6° | 179.9° |
| C5 | C4 | N3 | C2 | 0.3° | 0.1° |
| C5 | C4 | N3 | C7' | 179.2° | 180.0° |
| C4 | C5 | C6 | H6 | 7.3° | 150.0° |
| C4 | C5 | C6 | H6A | 125.3° | 29.9° |
| C5 | C4 | CM4 | HM4A | 90.2° | 93.4° |
| C5 | C4 | CM4 | HM4B | 149.8° | 26.5° |
| C5 | C4 | CM4 | HM4 | 29.8° | 146.6° |
| S1 | C2 | N3 | C4 | 1.5° | 0.1° |
| S1 | C2 | C11 | OL1 | 14.6° | 45.0° |
| S1 | C2 | N3 | C11 | 178.1° | 180.0° |
| S1 | C2 | N3 | C7' | 178.0° | 179.9° |
| S1 | C2 | C11 | CLB | 97.4° | 75.0° |
| S1 | C2 | C11 | H1 | 142.4° | 165.0° |
| CM4 | C4 | N3 | C2 | 179.9° | 180.0° |
| CM4 | C4 | N3 | C7' | 0.5° | 0.1° |
| C4 | CM4 | HM4A | HM4B | 120.0° | 120.0° |
| C4 | CM4 | HM4A | HM4 | 120.0° | 120.0° |
| C4 | CM4 | HM4B | HM4 | 120.0° | 120.1° |
| C4 | N3 | C2 | C7' | 179.5° | 179.9° |
| C4 | N3 | C2 | C11 | 176.6° | 180.0° |
| C4 | N3 | C7' | C5' | 73.7° | 86.9° |
| C4 | N3 | C7' | H7'A | 46.4° | 33.1° |
| C4 | N3 | C7' | H7' | 166.2° | 153.2° |
| N3 | C4 | CM4 | HM4A | 90.2° | 86.5° |
| N3 | C4 | CM4 | HM4B | 29.8° | 153.5° |
| N3 | C4 | CM4 | HM4 | 149.8° | 33.5° |
| OL1 | C11 | C2 | N3 | 167.7° | 134.9° |
| OL1 | C11 | C2 | CLB | 112.0° | 120.1° |
| OL1 | C11 | C2 | H1 | 127.8° | 120.0° |
| OL1 | C11 | CLB | H1 | 127.3° | 120.0° |
| OL1 | C11 | CLB | C13 | 69.7° | 64.9° |
| OL1 | C11 | CLB | HLB | 169.3° | 175.0° |
| OL1 | C11 | CLB | HLBA | 51.2° | 55.0° |
| N3 | C2 | C11 | CLB | 80.4° | 105.0° |
| C2 | N3 | C7' | C5' | 105.7° | 93.3° |
| N3 | C2 | C11 | H1 | 39.8° | 14.9° |
| C2 | N3 | C7' | H7'A | 134.2° | 146.8° |
| C2 | N3 | C7' | H7' | 14.4° | 26.7° |
| C11 | C2 | N3 | C7' | 3.9° | 0.1° |
| C2 | C11 | CLB | H1 | 120.7° | 119.9° |
| C2 | C11 | CLB | C13 | 178.4° | 175.0° |
| C2 | C11 | OL1 | HOL1 | 180.0° | 60.0° |
| C2 | C11 | CLB | HLB | 57.4° | 54.9° |
| C2 | C11 | CLB | HLBA | 60.7° | 65.1° |
| N3 | C7' | C5' | C4' | 59.0° | 174.2° |
| N3 | C7' | C5' | H7'A | 120.1° | 120.0° |
| N3 | C7' | C5' | H7' | 120.1° | 120.0° |
| N3 | C7' | C5' | C6' | 121.1° | 5.8° |
| N3 | C7' | H7'A | H7' | 119.8° | 120.1° |
| N4' | C4' | N3' | C5' | 179.7° | 180.0° |
| N4' | C4' | N3' | C2' | 178.8° | 180.0° |
| N4' | C4' | C5' | C7' | 0.3° | 0.0° |
| N4' | C4' | C5' | C6' | 179.6° | 180.0° |
| C4' | N4' | HN4' | HN4A | 120.0° | 180.0° |
| C11 | CLB | C13 | HLB | 121.0° | 120.0° |
| C11 | CLB | C13 | HLBA | 121.0° | 119.9° |
| C11 | CLB | C13 | CLC | 106.5° | 180.0° |
| C11 | CLB | C13 | H13 | 132.8° | 60.0° |
| C11 | CLB | C13 | H13A | 14.1° | 60.1° |
| CLB | C11 | OL1 | HOL1 | 73.0° | 60.1° |
| C11 | CLB | HLB | HLBA | 117.0° | 120.0° |
| C4' | N3' | C2' | CM2 | 179.5° | 180.0° |
| C4' | N3' | C2' | N1' | 1.5° | 0.0° |
| N3' | C4' | C5' | C7' | 179.4° | 180.0° |
| N3' | C4' | C5' | C6' | 0.8° | 0.0° |
| N3' | C4' | N4' | HN4' | 0.0° | 5.9° |
| N3' | C4' | N4' | HN4A | 120.0° | 174.1° |
| C2' | N3' | C4' | C5' | 1.6° | 0.0° |
| N3' | C2' | CM2 | N1' | 178.9° | 180.0° |
| N3' | C2' | N1' | C6' | 0.7° | 0.0° |
| N3' | C2' | CM2 | HM2B | 0.0° | 90.1° |
| N3' | C2' | CM2 | HM2 | 120.0° | 30.0° |
| N3' | C2' | CM2 | HM2A | 120.0° | 150.0° |
| C4' | C5' | C7' | C6' | 179.9° | 180.0° |
| C4' | C5' | C6' | N1' | 0.0° | 0.0° |
| C5' | C4' | N4' | HN4' | 179.7° | 174.1° |
| C5' | C4' | N4' | HN4A | 60.3° | 5.9° |
| C4' | C5' | C6' | H6' | 180.0° | 180.0° |
| C4' | C5' | C7' | H7'A | 179.1° | 54.1° |
| C4' | C5' | C7' | H7' | 61.0° | 65.9° |
| CM2 | C2' | N1' | C6' | 179.7° | 180.0° |
| C2' | CM2 | HM2B | HM2 | 120.0° | 120.0° |
| C2' | CM2 | HM2B | HM2A | 120.0° | 120.0° |
| C2' | CM2 | HM2 | HM2A | 120.0° | 120.0° |
| C2' | N1' | C6' | C5' | 0.0° | 0.0° |
| C2' | N1' | C6' | H6' | 180.0° | 179.9° |
| N1' | C2' | CM2 | HM2B | 178.9° | 90.0° |
| N1' | C2' | CM2 | HM2 | 58.9° | 150.0° |
| N1' | C2' | CM2 | HM2A | 61.1° | 30.0° |
| C7' | C5' | C6' | N1' | 179.9° | 180.0° |
| C7' | C5' | C6' | H6' | 0.1° | 0.0° |
| C5' | C7' | H7'A | H7' | 119.8° | 120.0° |
| C5' | C6' | N1' | H6' | 180.0° | 179.9° |
| C6' | C5' | C7' | H7'A | 1.0° | 125.9° |
| C6' | C5' | C7' | H7' | 118.8° | 114.1° |
| CLB | C13 | CLC | H13 | 120.6° | 120.0° |
| CLB | C13 | CLC | H13A | 120.7° | 120.0° |
| CLB | C13 | CLC | OL3 | 1.5° | 0.1° |
| CLB | C13 | CLC | OL2 | 178.4° | 180.0° |
| C13 | CLB | C11 | H1 | 57.6° | 55.0° |
| CLB | C13 | H13 | H13A | 118.0° | 120.0° |
| C13 | CLB | HLB | HLBA | 116.9° | 120.0° |
| C13 | CLC | OL3 | OL2 | 179.9° | 179.9° |
| CLC | C13 | H13 | H13A | 118.0° | 120.0° |
| C13 | CLC | OL2 | H5 | 179.9° | 180.0° |
| CLC | C13 | CLB | HLB | 14.4° | 60.0° |
| CLC | C13 | CLB | HLBA | 132.5° | 60.0° |
| OL3 | CLC | C13 | H13 | 119.2° | 120.0° |
| OL3 | CLC | C13 | H13A | 122.1° | 120.0° |
| OL3 | CLC | OL2 | H5 | 0.0° | 0.1° |
| OL2 | CLC | C13 | H13 | 61.0° | 60.0° |
| OL2 | CLC | C13 | H13A | 57.8° | 60.0° |
| H6 | C6 | C7 | H7A | 179.6° | 180.0° |
| H6 | C6 | C7 | H7 | 56.8° | 59.9° |
| H6A | C6 | C7 | H7A | 62.4° | 60.0° |
| H6A | C6 | C7 | H7 | 174.8° | 180.0° |
| H1 | C11 | OL1 | HOL1 | 53.1° | 180.0° |
| H1 | C11 | CLB | HLB | 63.3° | 65.0° |
| H1 | C11 | CLB | HLBA | 178.6° | 175.0° |
| H13 | C13 | CLB | HLB | 106.2° | NaN° |
| H13 | C13 | CLB | HLBA | 11.8° | 59.9° |
| H13A | C13 | CLB | HLB | 135.1° | 59.9° |
| H13A | C13 | CLB | HLBA | 106.9° | 180.0° |
| HM2B | CM2 | HM2 | HM2A | 120.0° | 120.0° |
| HM4A | CM4 | HM4B | HM4 | 120.0° | 120.0° |
