5TP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C21 | sing | 1.47Å | 1.56Å | |
| N11 | C61 | sing | 1.47Å | 1.55Å | |
| C21 | C31 | sing | 1.53Å | 1.54Å | |
| C21 | C1' | sing | 1.53Å | 1.36Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | C41 | sing | 1.53Å | 1.64Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | C51 | sing | 1.53Å | 1.61Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C51 | C61 | sing | 1.53Å | 1.51Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H62 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | sing | 1.53Å | 1.57Å | |
| C1' | H1'1 | sing | 1.09Å | 1.10Å | |
| C1' | H1'2 | sing | 1.09Å | 1.10Å | |
| C2' | H2'1 | sing | 1.09Å | 1.10Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| S1 | C52 | sing | 1.71Å | 1.73Å | Aromatic |
| S1 | C22 | sing | 1.76Å | 1.75Å | Aromatic |
| O2 | C2'1 | doub | 1.21Å | 1.20Å | |
| C52 | C42 | doub | 1.35Å | 1.38Å | Aromatic |
| C52 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | C2'1 | sing | 1.46Å | 1.52Å | |
| C22 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C42 | N3 | sing | 1.30Å | 1.35Å | Aromatic |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| C2' | C2'1 | sing | 1.51Å | 1.48Å | |
| N11 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N11 | C61 | 123.1° | 111.2° |
| N11 | C21 | C31 | 104.5° | 109.5° |
| N11 | C21 | C1' | 116.0° | 109.5° |
| N11 | C21 | H21 | 108.3° | 109.4° |
| C21 | N11 | H2 | 105.2° | 110.9° |
| N11 | C61 | C51 | 109.3° | 109.5° |
| N11 | C61 | H61 | 109.5° | 109.5° |
| N11 | C61 | H62 | 109.5° | 109.5° |
| C61 | N11 | H2 | 105.1° | 111.0° |
| C31 | C21 | C1' | 108.6° | 109.5° |
| C31 | C21 | H21 | 115.7° | 109.4° |
| C21 | C31 | C41 | 112.9° | 109.3° |
| C21 | C31 | H31 | 108.4° | 109.5° |
| C21 | C31 | H32 | 108.4° | 109.5° |
| C1' | C21 | H21 | 104.2° | 109.4° |
| C21 | C1' | C2' | 116.1° | 109.5° |
| C21 | C1' | H1'1 | 107.3° | 109.4° |
| C21 | C1' | H1'2 | 107.4° | 109.5° |
| C41 | C31 | H31 | 108.4° | 109.5° |
| C41 | C31 | H32 | 108.4° | 109.5° |
| C31 | C41 | C51 | 113.7° | 109.2° |
| C31 | C41 | H41 | 108.1° | 109.5° |
| C31 | C41 | H42 | 108.1° | 109.5° |
| H31 | C31 | H32 | 110.5° | 109.5° |
| C51 | C41 | H41 | 108.1° | 109.5° |
| C51 | C41 | H42 | 108.1° | 109.5° |
| C41 | C51 | C61 | 111.2° | 109.3° |
| C41 | C51 | H51 | 108.9° | 109.5° |
| C41 | C51 | H52 | 108.9° | 109.5° |
| H41 | C41 | H42 | 110.8° | 109.6° |
| C61 | C51 | H51 | 108.9° | 109.5° |
| C61 | C51 | H52 | 108.9° | 109.5° |
| C51 | C61 | H61 | 109.5° | 109.5° |
| C51 | C61 | H62 | 109.5° | 109.5° |
| H51 | C51 | H52 | 110.0° | 109.6° |
| H61 | C61 | H62 | 109.4° | 109.5° |
| C2' | C1' | H1'1 | 107.3° | 109.5° |
| C2' | C1' | H1'2 | 107.3° | 109.5° |
| C1' | C2' | H2'1 | 110.3° | 109.5° |
| C1' | C2' | H2'2 | 110.3° | 109.5° |
| C1' | C2' | C2'1 | 106.9° | 109.5° |
| H1'1 | C1' | H1'2 | 111.5° | 109.5° |
| H2'1 | C2' | H2'2 | 108.6° | 109.5° |
| H2'1 | C2' | C2'1 | 110.3° | 109.4° |
| H2'2 | C2' | C2'1 | 110.3° | 109.5° |
| C52 | S1 | C22 | 86.3° | 90.3° |
| S1 | C52 | C42 | 111.2° | 109.0° |
| S1 | C52 | H5 | 124.4° | 125.5° |
| S1 | C22 | C2'1 | 117.4° | 125.5° |
| S1 | C22 | N3 | 118.0° | 108.9° |
| O2 | C2'1 | C22 | 118.3° | 120.0° |
| O2 | C2'1 | C2' | 120.6° | 120.0° |
| C42 | C52 | H5 | 124.4° | 125.5° |
| C52 | C42 | N3 | 117.4° | 115.8° |
| C52 | C42 | H43 | 121.3° | 122.1° |
| C2'1 | C22 | N3 | 116.6° | 125.6° |
| C22 | C2'1 | C2' | 121.0° | 120.0° |
| C22 | N3 | C42 | 106.9° | 115.9° |
| N3 | C42 | H43 | 121.3° | 122.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | N11 | C61 | H2 | 120.0° | 124.0° |
| N11 | C21 | C31 | C1' | 124.4° | 120.1° |
| N11 | C21 | C31 | H21 | 119.0° | 120.0° |
| N11 | C21 | C1' | H21 | 118.9° | 120.0° |
| N11 | C21 | C31 | C41 | 49.8° | 59.1° |
| N11 | C21 | C31 | H31 | 70.2° | 179.1° |
| N11 | C21 | C31 | H32 | 169.8° | 60.8° |
| C21 | N11 | C61 | C51 | 55.1° | 61.7° |
| C21 | N11 | C61 | H61 | 64.9° | 178.3° |
| C21 | N11 | C61 | H62 | 175.1° | 58.3° |
| N11 | C21 | C1' | C2' | 162.0° | 65.0° |
| N11 | C21 | C1' | H1'1 | 42.0° | 55.0° |
| N11 | C21 | C1' | H1'2 | 78.0° | 175.0° |
| C61 | N11 | C21 | C31 | 54.9° | 61.7° |
| C61 | N11 | C21 | C1' | 64.6° | 178.2° |
| C61 | N11 | C21 | H21 | 178.8° | 58.3° |
| N11 | C61 | C51 | C41 | 47.5° | 59.2° |
| N11 | C61 | C51 | H61 | 120.0° | 120.0° |
| N11 | C61 | C51 | H62 | 120.0° | 120.0° |
| N11 | C61 | C51 | H51 | 72.5° | 179.1° |
| N11 | C61 | C51 | H52 | 167.5° | 60.7° |
| N11 | C61 | H61 | H62 | 120.1° | 120.0° |
| C31 | C21 | C1' | H21 | 123.8° | 119.9° |
| C21 | C31 | C41 | H31 | 120.0° | 120.0° |
| C21 | C31 | C41 | H32 | 120.0° | 120.0° |
| C21 | C31 | H31 | H32 | 118.6° | 120.1° |
| C21 | C31 | C41 | C51 | 53.9° | 57.6° |
| C21 | C31 | C41 | H41 | 173.9° | 62.3° |
| C21 | C31 | C41 | H42 | 66.1° | 177.5° |
| C31 | C21 | C1' | C2' | 80.7° | 174.9° |
| C31 | C21 | C1' | H1'1 | 159.3° | 65.1° |
| C31 | C21 | C1' | H1'2 | 39.2° | 54.9° |
| C31 | C21 | N11 | H2 | 174.9° | 62.4° |
| C1' | C21 | C31 | C41 | 74.6° | 179.2° |
| C1' | C21 | C31 | H31 | 165.4° | 60.8° |
| C1' | C21 | C31 | H32 | 45.4° | 59.3° |
| C21 | C1' | C2' | H1'1 | 120.0° | 120.0° |
| C21 | C1' | C2' | H1'2 | 120.0° | 120.0° |
| C21 | C1' | H1'1 | H1'2 | 117.3° | 120.0° |
| C21 | C1' | C2' | H2'1 | 5.8° | 60.0° |
| C21 | C1' | C2' | H2'2 | 125.8° | 60.0° |
| C21 | C1' | C2' | C2'1 | 114.2° | 180.0° |
| C1' | C21 | N11 | H2 | 55.4° | 57.7° |
| H21 | C21 | C31 | C41 | 168.8° | 60.8° |
| H21 | C21 | C31 | H31 | 48.8° | 59.1° |
| H21 | C21 | C31 | H32 | 71.2° | 179.2° |
| H21 | C21 | C1' | C2' | 43.1° | 55.0° |
| H21 | C21 | C1' | H1'1 | 76.9° | 175.0° |
| H21 | C21 | C1' | H1'2 | 163.1° | 65.1° |
| H21 | C21 | N11 | H2 | 61.2° | 177.6° |
| C41 | C31 | H31 | H32 | 118.6° | 120.0° |
| C31 | C41 | C51 | H41 | 120.0° | 119.9° |
| C31 | C41 | C51 | H42 | 120.0° | 119.9° |
| C31 | C41 | H41 | H42 | 118.3° | 120.2° |
| C31 | C41 | C51 | C61 | 51.0° | 57.6° |
| C31 | C41 | C51 | H51 | 69.0° | 177.6° |
| C31 | C41 | C51 | H52 | 171.0° | 62.3° |
| H31 | C31 | C41 | C51 | 66.1° | 177.6° |
| H31 | C31 | C41 | H41 | 53.9° | 57.7° |
| H31 | C31 | C41 | H42 | 173.8° | 62.5° |
| H32 | C31 | C41 | C51 | 173.9° | 62.3° |
| H32 | C31 | C41 | H41 | 66.1° | 177.7° |
| H32 | C31 | C41 | H42 | 53.9° | 57.6° |
| C51 | C41 | H41 | H42 | 118.2° | 120.1° |
| C41 | C51 | C61 | H51 | 120.0° | 120.0° |
| C41 | C51 | C61 | H52 | 120.0° | 119.9° |
| C41 | C51 | H51 | H52 | 119.3° | 120.1° |
| C41 | C51 | C61 | H61 | 72.5° | 179.2° |
| C41 | C51 | C61 | H62 | 167.5° | 60.8° |
| H41 | C41 | C51 | C61 | 171.0° | 62.3° |
| H41 | C41 | C51 | H51 | 51.0° | 57.7° |
| H41 | C41 | C51 | H52 | 69.0° | 177.8° |
| H42 | C41 | C51 | C61 | 69.0° | 177.6° |
| H42 | C41 | C51 | H51 | 171.0° | 62.5° |
| H42 | C41 | C51 | H52 | 51.0° | 57.7° |
| C61 | C51 | H51 | H52 | 119.3° | 120.1° |
| C51 | C61 | H61 | H62 | 120.1° | 120.0° |
| C51 | C61 | N11 | H2 | 175.1° | 62.3° |
| H51 | C51 | C61 | H61 | 167.5° | 60.9° |
| H51 | C51 | C61 | H62 | 47.5° | 59.1° |
| H52 | C51 | C61 | H61 | 47.5° | 59.3° |
| H52 | C51 | C61 | H62 | 72.5° | 179.3° |
| H61 | C61 | N11 | H2 | 55.1° | 57.7° |
| H62 | C61 | N11 | H2 | 64.9° | 177.7° |
| C2' | C1' | H1'1 | H1'2 | 117.2° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 121.0° | 120.0° |
| C1' | C2' | H2'1 | C2'1 | 117.9° | 120.0° |
| C1' | C2' | H2'2 | C2'1 | 117.9° | 120.0° |
| C1' | C2' | C2'1 | O2 | 28.7° | 0.0° |
| C1' | C2' | C2'1 | C22 | 154.2° | 180.0° |
| H1'1 | C1' | C2' | H2'1 | 114.2° | 180.0° |
| H1'1 | C1' | C2' | H2'2 | 5.9° | 60.0° |
| H1'1 | C1' | C2' | C2'1 | 125.8° | 60.0° |
| H1'2 | C1' | C2' | H2'1 | 125.9° | 60.0° |
| H1'2 | C1' | C2' | H2'2 | 114.1° | 180.0° |
| H1'2 | C1' | C2' | C2'1 | 5.9° | 60.0° |
| H2'1 | C2' | H2'2 | C2'1 | 121.1° | 119.9° |
| H2'1 | C2' | C2'1 | O2 | 148.6° | 120.0° |
| H2'1 | C2' | C2'1 | C22 | 34.3° | 60.0° |
| H2'2 | C2' | C2'1 | O2 | 91.3° | 120.0° |
| H2'2 | C2' | C2'1 | C22 | 85.8° | 59.9° |
| S1 | C52 | C42 | H5 | 180.0° | 179.9° |
| C52 | S1 | C22 | C2'1 | 143.7° | 180.0° |
| C52 | S1 | C22 | N3 | 4.2° | 0.0° |
| S1 | C52 | C42 | N3 | 0.5° | 0.0° |
| S1 | C52 | C42 | H43 | 179.5° | 180.0° |
| S1 | C22 | C2'1 | O2 | 174.8° | 0.0° |
| C22 | S1 | C52 | C42 | 1.9° | 0.0° |
| C22 | S1 | C52 | H5 | 178.1° | 180.0° |
| S1 | C22 | C2'1 | N3 | 148.4° | 180.0° |
| S1 | C22 | N3 | C42 | 5.1° | 0.0° |
| S1 | C22 | C2'1 | C2' | 2.3° | 180.0° |
| O2 | C2'1 | C22 | C2' | 177.2° | 180.0° |
| O2 | C2'1 | C22 | N3 | 36.8° | 179.9° |
| C52 | C42 | N3 | C22 | 3.4° | 0.0° |
| C52 | C42 | N3 | H43 | 180.0° | 180.0° |
| H5 | C52 | C42 | N3 | 179.5° | 180.0° |
| H5 | C52 | C42 | H43 | 0.5° | 0.0° |
| C2'1 | C22 | N3 | C42 | 143.1° | 180.0° |
| C22 | N3 | C42 | H43 | 176.6° | 180.0° |
| N3 | C22 | C2'1 | C2' | 146.0° | 0.0° |
