TP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C6' | sing | 1.35Å | 1.38Å | Aromatic |
| N1' | C2' | doub | 1.35Å | 1.38Å | Aromatic |
| C2' | N3' | sing | 1.35Å | 1.38Å | Aromatic |
| C2' | CM2 | sing | 1.49Å | 1.50Å | |
| CM2 | HM21 | sing | 1.10Å | 1.10Å | |
| CM2 | HM22 | sing | 1.10Å | 1.10Å | |
| CM2 | HM23 | sing | 1.10Å | 1.10Å | |
| N3' | C4' | doub | 1.35Å | 1.39Å | Aromatic |
| C4' | C5' | sing | 1.37Å | 1.40Å | Aromatic |
| C4' | N4' | sing | 1.42Å | 1.34Å | |
| N4' | H4'1 | sing | 1.00Å | 1.00Å | |
| N4' | H4'2 | sing | 1.00Å | 1.00Å | |
| C5' | C7' | sing | 1.50Å | 1.52Å | |
| C5' | C6' | doub | 1.37Å | 1.39Å | Aromatic |
| C6' | H6' | sing | 1.09Å | 1.08Å | |
| C7' | N3 | sing | 1.43Å | 1.44Å | |
| C7' | H7'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7'2 | sing | 1.10Å | 1.10Å | |
| N3 | C4 | sing | 1.37Å | 1.35Å | |
| N3 | HN3 | sing | 0.99Å | 1.00Å | |
| S1 | C5 | sing | 1.76Å | 1.62Å | |
| S1 | HS1 | sing | 1.34Å | 1.30Å | |
| C5 | C6 | sing | 1.52Å | 1.50Å | |
| C5 | C4 | doub | 1.36Å | 1.40Å | |
| C4 | CM4 | sing | 1.51Å | 1.51Å | |
| CM4 | HM41 | sing | 1.10Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å | |
| CM4 | HM43 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | O7 | sing | 1.42Å | 1.42Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O7 | PA | sing | 1.63Å | 1.60Å | |
| PA | O3A | sing | 1.63Å | 1.61Å | |
| PA | O1A | sing | 1.51Å | 1.51Å | |
| PA | O2A | doub | 1.51Å | 1.51Å | |
| O3A | PB | sing | 1.63Å | 1.61Å | |
| PB | O1B | sing | 1.63Å | 1.50Å | |
| PB | O2B | sing | 1.51Å | 1.51Å | |
| PB | O3B | doub | 1.51Å | 1.52Å | |
| O1B | H1B | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6' | N1' | C2' | 120.5° | 114.9° |
| N1' | C6' | C5' | 120.1° | 123.2° |
| N1' | C6' | H6' | 120.0° | 114.8° |
| N1' | C2' | N3' | 120.0° | 127.0° |
| N1' | C2' | CM2 | 120.6° | 116.5° |
| N3' | C2' | CM2 | 119.4° | 116.5° |
| C2' | N3' | C4' | 120.5° | 114.9° |
| C2' | CM2 | HM21 | 109.5° | 110.4° |
| C2' | CM2 | HM22 | 109.5° | 111.3° |
| C2' | CM2 | HM23 | 109.5° | 111.3° |
| HM21 | CM2 | HM22 | 109.5° | 108.5° |
| HM21 | CM2 | HM23 | 109.5° | 108.5° |
| HM22 | CM2 | HM23 | 109.5° | 106.8° |
| N3' | C4' | C5' | 119.6° | 123.2° |
| N3' | C4' | N4' | 117.9° | 118.0° |
| C5' | C4' | N4' | 122.5° | 118.8° |
| C4' | C5' | C7' | 122.3° | 123.0° |
| C4' | C5' | C6' | 119.4° | 116.8° |
| C4' | N4' | H4'1 | 109.5° | 118.9° |
| C4' | N4' | H4'2 | 109.5° | 118.8° |
| H4'1 | N4' | H4'2 | 109.5° | 122.0° |
| C7' | C5' | C6' | 118.3° | 120.3° |
| C5' | C7' | N3 | 109.9° | 112.0° |
| C5' | C7' | H7'1 | 109.4° | 110.7° |
| C5' | C7' | H7'2 | 109.3° | 111.0° |
| C5' | C6' | H6' | 120.0° | 122.0° |
| N3 | C7' | H7'1 | 109.3° | 108.0° |
| N3 | C7' | H7'2 | 109.3° | 107.7° |
| C7' | N3 | C4 | 125.6° | 120.3° |
| C7' | N3 | HN3 | 104.5° | 123.3° |
| H7'1 | C7' | H7'2 | 109.8° | 107.3° |
| C4 | N3 | HN3 | 104.4° | 116.4° |
| N3 | C4 | C5 | 111.0° | 124.2° |
| N3 | C4 | CM4 | 125.7° | 113.1° |
| C5 | S1 | HS1 | 109.5° | 96.2° |
| S1 | C5 | C6 | 117.2° | 116.0° |
| S1 | C5 | C4 | 117.4° | 119.6° |
| C6 | C5 | C4 | 125.4° | 124.4° |
| C5 | C6 | C7 | 117.1° | 113.0° |
| C5 | C6 | H61 | 107.0° | 110.0° |
| C5 | C6 | H62 | 105.3° | 109.8° |
| C5 | C4 | CM4 | 123.4° | 122.7° |
| C4 | CM4 | HM41 | 109.5° | 110.3° |
| C4 | CM4 | HM42 | 109.5° | 113.8° |
| C4 | CM4 | HM43 | 109.5° | 110.0° |
| HM41 | CM4 | HM42 | 109.4° | 106.1° |
| HM41 | CM4 | HM43 | 109.4° | 108.1° |
| HM42 | CM4 | HM43 | 109.5° | 108.2° |
| C7 | C6 | H61 | 107.0° | 109.7° |
| C7 | C6 | H62 | 105.2° | 109.2° |
| C6 | C7 | O7 | 106.4° | 111.1° |
| C6 | C7 | H71 | 110.5° | 112.3° |
| C6 | C7 | H72 | 111.2° | 109.5° |
| H61 | C6 | H62 | 115.7° | 104.9° |
| O7 | C7 | H71 | 110.5° | 108.9° |
| O7 | C7 | H72 | 111.2° | 107.1° |
| C7 | O7 | PA | 118.9° | 119.1° |
| H71 | C7 | H72 | 107.1° | 107.8° |
| O7 | PA | O3A | 102.1° | 99.7° |
| O7 | PA | O1A | 110.0° | 108.2° |
| O7 | PA | O2A | 111.9° | 109.5° |
| O3A | PA | O1A | 111.2° | 108.4° |
| O3A | PA | O2A | 107.8° | 108.5° |
| PA | O3A | PB | 124.0° | 130.7° |
| O1A | PA | O2A | 113.4° | 120.6° |
| O3A | PB | O1B | 104.6° | 98.6° |
| O3A | PB | O2B | 112.0° | 109.0° |
| O3A | PB | O3B | 110.3° | 109.2° |
| O1B | PB | O2B | 107.3° | 108.4° |
| O1B | PB | O3B | 110.2° | 108.4° |
| PB | O1B | H1B | 109.5° | 118.5° |
| O2B | PB | O3B | 112.1° | 120.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6' | N1' | C2' | N3' | 0.2° | 0.0° |
| C6' | N1' | C2' | CM2 | 179.9° | 179.9° |
| N1' | C6' | C5' | C4' | 0.4° | 0.0° |
| N1' | C6' | C5' | C7' | 179.1° | 180.0° |
| N1' | C6' | C5' | H6' | 180.0° | 179.9° |
| N1' | C2' | N3' | CM2 | 179.9° | 179.9° |
| N1' | C2' | CM2 | HM21 | 26.7° | 165.4° |
| N1' | C2' | CM2 | HM22 | 146.7° | 74.0° |
| N1' | C2' | CM2 | HM23 | 93.3° | 45.0° |
| N1' | C2' | N3' | C4' | 1.3° | 0.1° |
| C2' | N1' | C6' | C5' | 0.3° | 0.0° |
| C2' | N1' | C6' | H6' | 179.7° | 180.0° |
| N3' | C2' | CM2 | HM21 | 153.5° | 14.7° |
| N3' | C2' | CM2 | HM22 | 33.5° | 105.9° |
| N3' | C2' | CM2 | HM23 | 86.5° | 135.1° |
| C2' | N3' | C4' | C5' | 2.0° | 0.1° |
| C2' | N3' | C4' | N4' | 179.0° | 180.0° |
| C2' | CM2 | HM21 | HM22 | 120.0° | 122.2° |
| C2' | CM2 | HM21 | HM23 | 120.0° | 122.1° |
| C2' | CM2 | HM22 | HM23 | 120.0° | 121.6° |
| CM2 | C2' | N3' | C4' | 178.8° | 180.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 116.7° |
| N3' | C4' | C5' | N4' | 179.0° | 179.9° |
| N3' | C4' | N4' | H4'1 | 66.6° | 5.1° |
| N3' | C4' | N4' | H4'2 | 173.4° | 168.6° |
| N3' | C4' | C5' | C7' | 179.8° | 179.9° |
| N3' | C4' | C5' | C6' | 1.5° | 0.1° |
| C5' | C4' | N4' | H4'1 | 114.4° | 175.0° |
| C5' | C4' | N4' | H4'2 | 5.6° | 11.2° |
| C4' | C5' | C7' | C6' | 178.7° | 180.0° |
| C4' | C5' | C6' | H6' | 179.6° | 180.0° |
| C4' | C5' | C7' | N3 | 66.4° | 90.0° |
| C4' | C5' | C7' | H7'1 | 53.6° | 30.5° |
| C4' | C5' | C7' | H7'2 | 173.7° | 149.5° |
| C4' | N4' | H4'1 | H4'2 | 120.0° | 173.6° |
| N4' | C4' | C5' | C7' | 0.8° | 0.1° |
| N4' | C4' | C5' | C6' | 179.5° | 179.9° |
| C7' | C5' | C6' | H6' | 0.9° | 0.0° |
| C5' | C7' | N3 | H7'1 | 120.0° | 122.1° |
| C5' | C7' | N3 | H7'2 | 119.8° | 122.4° |
| C5' | C7' | H7'1 | H7'2 | 119.9° | 121.3° |
| C5' | C7' | N3 | C4 | 81.5° | 120.0° |
| C5' | C7' | N3 | HN3 | 38.5° | 59.9° |
| C6' | C5' | C7' | N3 | 114.8° | 90.0° |
| C6' | C5' | C7' | H7'1 | 125.2° | 149.5° |
| C6' | C5' | C7' | H7'2 | 5.0° | 30.5° |
| N3 | C7' | H7'1 | H7'2 | 119.8° | 115.9° |
| C7' | N3 | C4 | HN3 | 120.0° | 179.9° |
| C7' | N3 | C4 | C5 | 179.7° | 149.9° |
| C7' | N3 | C4 | CM4 | 0.2° | 30.9° |
| H7'1 | C7' | N3 | C4 | 158.4° | 2.1° |
| H7'1 | C7' | N3 | HN3 | 81.6° | 178.0° |
| H7'2 | C7' | N3 | C4 | 38.3° | 117.7° |
| H7'2 | C7' | N3 | HN3 | 158.3° | 62.4° |
| N3 | C4 | C5 | S1 | 0.8° | 3.1° |
| N3 | C4 | C5 | C6 | 179.4° | 179.1° |
| N3 | C4 | C5 | CM4 | 179.9° | 179.2° |
| N3 | C4 | CM4 | HM41 | 167.6° | 44.8° |
| N3 | C4 | CM4 | HM42 | 47.6° | 163.9° |
| N3 | C4 | CM4 | HM43 | 72.4° | 74.5° |
| HN3 | N3 | C4 | C5 | 59.6° | 30.0° |
| HN3 | N3 | C4 | CM4 | 120.2° | 149.2° |
| S1 | C5 | C6 | C4 | 178.6° | 177.8° |
| S1 | C5 | C4 | CM4 | 179.3° | 177.7° |
| S1 | C5 | C6 | C7 | 16.9° | 84.9° |
| S1 | C5 | C6 | H61 | 103.1° | 152.2° |
| S1 | C5 | C6 | H62 | 133.4° | 37.3° |
| HS1 | S1 | C5 | C6 | 167.2° | 11.6° |
| HS1 | S1 | C5 | C4 | 14.1° | 170.5° |
| C6 | C5 | C4 | CM4 | 0.7° | 0.0° |
| C5 | C6 | C7 | H61 | 120.0° | 123.1° |
| C5 | C6 | C7 | H62 | 116.5° | 122.5° |
| C5 | C6 | H61 | H62 | 116.9° | 118.0° |
| C5 | C6 | C7 | O7 | 177.1° | 62.2° |
| C5 | C6 | C7 | H71 | 57.1° | 60.1° |
| C5 | C6 | C7 | H72 | 61.7° | 179.7° |
| C5 | C4 | CM4 | HM41 | 12.5° | 134.5° |
| C5 | C4 | CM4 | HM42 | 132.5° | 15.3° |
| C5 | C4 | CM4 | HM43 | 107.5° | 106.3° |
| C4 | C5 | C6 | C7 | 164.5° | 92.9° |
| C4 | C5 | C6 | H61 | 75.6° | 30.0° |
| C4 | C5 | C6 | H62 | 48.0° | 144.9° |
| C4 | CM4 | HM41 | HM42 | 120.0° | 123.7° |
| C4 | CM4 | HM41 | HM43 | 120.0° | 120.4° |
| C4 | CM4 | HM42 | HM43 | 120.0° | 122.6° |
| HM41 | CM4 | HM42 | HM43 | 119.9° | 115.9° |
| C7 | C6 | H61 | H62 | 116.8° | 117.1° |
| C6 | C7 | O7 | H71 | 120.0° | 124.2° |
| C6 | C7 | O7 | H72 | 121.2° | 119.5° |
| C6 | C7 | H71 | H72 | 121.2° | 120.7° |
| C6 | C7 | O7 | PA | 153.6° | 180.0° |
| H61 | C6 | C7 | O7 | 62.9° | 60.9° |
| H61 | C6 | C7 | H71 | 177.1° | 176.8° |
| H61 | C6 | C7 | H72 | 58.3° | 57.1° |
| H62 | C6 | C7 | O7 | 60.6° | 175.3° |
| H62 | C6 | C7 | H71 | 59.4° | 62.4° |
| H62 | C6 | C7 | H72 | 178.2° | 57.2° |
| O7 | C7 | H71 | H72 | 121.3° | 115.8° |
| C7 | O7 | PA | O3A | 60.9° | 66.8° |
| C7 | O7 | PA | O1A | 179.0° | 180.0° |
| C7 | O7 | PA | O2A | 54.1° | 46.8° |
| H71 | C7 | O7 | PA | 33.5° | 55.8° |
| H72 | C7 | O7 | PA | 85.3° | 60.5° |
| O7 | PA | O3A | O1A | 117.3° | 113.0° |
| O7 | PA | O3A | O2A | 117.9° | 114.4° |
| O7 | PA | O1A | O2A | 126.0° | 127.0° |
| O7 | PA | O3A | PB | 61.7° | 180.0° |
| O3A | PA | O1A | O2A | 121.6° | 125.8° |
| PA | O3A | PB | O1B | 148.6° | 180.0° |
| PA | O3A | PB | O2B | 95.5° | 67.0° |
| PA | O3A | PB | O3B | 30.0° | 67.0° |
| O1A | PA | O3A | PB | 55.6° | 67.1° |
| O2A | PA | O3A | PB | 179.6° | 65.5° |
| O3A | PB | O1B | O2B | 119.1° | 113.4° |
| O3A | PB | O1B | O3B | 118.6° | 113.6° |
| O3A | PB | O2B | O3B | 124.6° | 127.6° |
| O3A | PB | O1B | H1B | 11.7° | 78.1° |
| O1B | PB | O2B | O3B | 121.1° | 126.0° |
| O2B | PB | O1B | H1B | 130.9° | 35.3° |
| O3B | PB | O1B | H1B | 106.8° | 168.4° |
