C2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| N1 | N2 | sing | 1.45Å | 1.42Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| N2 | C5 | sing | 1.47Å | 1.48Å | |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C10 | sing | 1.53Å | 1.45Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| N1 | HA | sing | 1.01Å | 1.00Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.6° | 120.0° |
| O1 | C1 | O2 | 122.5° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C2 | C1 | O2 | 116.8° | 120.0° |
| C1 | C2 | C3 | 115.6° | 109.5° |
| C1 | C2 | H21C | 107.9° | 109.5° |
| C1 | C2 | H22C | 107.9° | 109.4° |
| N2 | N1 | C3 | 122.7° | 111.0° |
| N1 | N2 | C4 | 110.6° | 109.5° |
| N1 | N2 | C5 | 112.1° | 109.5° |
| N1 | N2 | C6 | 111.7° | 109.4° |
| N2 | N1 | HA | 106.0° | 111.0° |
| N1 | C3 | C2 | 112.3° | 109.4° |
| C3 | N1 | HA | 106.1° | 111.0° |
| N1 | C3 | H31C | 108.8° | 109.5° |
| N1 | C3 | H32C | 108.7° | 109.5° |
| C3 | C2 | H21C | 107.9° | 109.5° |
| C3 | C2 | H22C | 107.9° | 109.5° |
| C2 | C3 | H31C | 108.7° | 109.4° |
| C2 | C3 | H32C | 108.8° | 109.5° |
| C4 | N2 | C5 | 107.3° | 109.5° |
| C4 | N2 | C6 | 99.0° | 109.5° |
| N2 | C4 | H41C | 109.5° | 109.4° |
| N2 | C4 | H42C | 109.4° | 109.5° |
| N2 | C4 | H43C | 109.5° | 109.5° |
| C5 | N2 | C6 | 115.2° | 109.5° |
| N2 | C5 | H51C | 109.5° | 109.5° |
| N2 | C5 | H52C | 109.5° | 109.5° |
| N2 | C5 | H53C | 109.5° | 109.5° |
| N2 | C6 | C10 | 115.3° | 109.4° |
| N2 | C6 | H61C | 108.0° | 109.5° |
| N2 | C6 | H62C | 108.0° | 109.5° |
| C10 | C6 | H61C | 108.0° | 109.5° |
| C10 | C6 | H62C | 108.0° | 109.5° |
| C6 | C10 | H101 | 109.5° | 109.4° |
| C6 | C10 | H102 | 109.5° | 109.5° |
| C6 | C10 | H103 | 109.4° | 109.4° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H41C | C4 | H43C | 109.4° | 109.4° |
| H42C | C4 | H43C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.4° | 109.4° |
| H51C | C5 | H53C | 109.5° | 109.5° |
| H52C | C5 | H53C | 109.4° | 109.4° |
| H61C | C6 | H62C | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 176.7° | 179.8° |
| O1 | C1 | C2 | C3 | 11.4° | 180.0° |
| O1 | C1 | C2 | H21C | 132.3° | 60.0° |
| O1 | C1 | C2 | H22C | 109.4° | 60.0° |
| C1 | C2 | C3 | N1 | 84.6° | 180.0° |
| C1 | C2 | C3 | H21C | 120.9° | 120.0° |
| C1 | C2 | C3 | H22C | 120.9° | 120.0° |
| C2 | C1 | O1 | H1 | 176.5° | 180.0° |
| C1 | C2 | H21C | H22C | 117.2° | 119.9° |
| C1 | C2 | C3 | H31C | 35.8° | 60.0° |
| C1 | C2 | C3 | H32C | 155.0° | 59.9° |
| O2 | C1 | C2 | C3 | 171.9° | 0.2° |
| O2 | C1 | O1 | H1 | 0.0° | 0.3° |
| O2 | C1 | C2 | H21C | 51.0° | 120.3° |
| O2 | C1 | C2 | H22C | 67.2° | 119.8° |
| N2 | N1 | C3 | HA | 121.8° | 124.0° |
| N2 | N1 | C3 | C2 | 176.1° | 180.0° |
| N1 | N2 | C4 | C5 | 122.6° | 120.0° |
| N1 | N2 | C4 | C6 | 117.4° | 120.0° |
| N1 | N2 | C5 | C6 | 129.2° | 120.0° |
| N1 | N2 | C6 | C10 | 72.9° | 180.0° |
| N2 | N1 | C3 | H31C | 63.5° | 60.0° |
| N2 | N1 | C3 | H32C | 55.7° | 60.0° |
| N1 | N2 | C4 | H41C | 180.0° | 60.0° |
| N1 | N2 | C4 | H42C | 60.0° | 180.0° |
| N1 | N2 | C4 | H43C | 60.0° | 59.9° |
| N1 | N2 | C5 | H51C | 180.0° | 60.0° |
| N1 | N2 | C5 | H52C | 60.0° | 180.0° |
| N1 | N2 | C5 | H53C | 60.0° | 60.1° |
| N1 | N2 | C6 | H61C | 166.3° | 60.0° |
| N1 | N2 | C6 | H62C | 47.9° | 60.0° |
| N1 | C3 | C2 | H31C | 120.4° | 120.0° |
| N1 | C3 | C2 | H32C | 120.4° | 120.0° |
| C3 | N1 | N2 | C4 | 173.0° | 60.0° |
| C3 | N1 | N2 | C5 | 67.2° | 60.0° |
| C3 | N1 | N2 | C6 | 63.8° | 180.0° |
| N1 | C3 | C2 | H21C | 36.2° | 60.0° |
| N1 | C3 | C2 | H22C | 154.5° | 60.0° |
| N1 | C3 | H31C | H32C | 118.7° | 120.1° |
| C3 | C2 | H21C | H22C | 117.2° | 120.0° |
| C2 | C3 | N1 | HA | 54.3° | 56.1° |
| C2 | C3 | H31C | H32C | 118.7° | 120.0° |
| C4 | N2 | C5 | C6 | 109.1° | 120.0° |
| C4 | N2 | C6 | C10 | 170.5° | 60.0° |
| C4 | N2 | N1 | HA | 51.2° | 63.9° |
| N2 | C4 | H41C | H42C | 120.0° | 120.0° |
| N2 | C4 | H41C | H43C | 120.0° | 120.0° |
| N2 | C4 | H42C | H43C | 120.0° | 120.0° |
| C4 | N2 | C5 | H51C | 58.3° | 180.0° |
| C4 | N2 | C5 | H52C | 178.3° | 60.0° |
| C4 | N2 | C5 | H53C | 61.7° | 60.0° |
| C4 | N2 | C6 | H61C | 49.7° | 180.0° |
| C4 | N2 | C6 | H62C | 68.6° | 60.0° |
| C5 | N2 | C6 | C10 | 56.5° | 60.0° |
| C5 | N2 | N1 | HA | 171.0° | 176.0° |
| C5 | N2 | C4 | H41C | 57.4° | 60.0° |
| C5 | N2 | C4 | H42C | 62.6° | 60.0° |
| C5 | N2 | C4 | H43C | 177.4° | 179.9° |
| N2 | C5 | H51C | H52C | 120.0° | 120.0° |
| N2 | C5 | H51C | H53C | 120.0° | 120.1° |
| N2 | C5 | H52C | H53C | 120.0° | 120.0° |
| C5 | N2 | C6 | H61C | 64.3° | 60.0° |
| C5 | N2 | C6 | H62C | 177.4° | 180.0° |
| N2 | C6 | C10 | H61C | 120.8° | 120.0° |
| N2 | C6 | C10 | H62C | 120.8° | 120.0° |
| C6 | N2 | N1 | HA | 58.0° | 56.1° |
| C6 | N2 | C4 | H41C | 62.6° | 180.0° |
| C6 | N2 | C4 | H42C | 177.4° | 60.0° |
| C6 | N2 | C4 | H43C | 57.4° | 60.0° |
| C6 | N2 | C5 | H51C | 50.7° | 60.0° |
| C6 | N2 | C5 | H52C | 69.3° | 60.0° |
| C6 | N2 | C5 | H53C | 170.8° | 180.0° |
| N2 | C6 | H61C | H62C | 117.3° | 120.0° |
| N2 | C6 | C10 | H101 | 180.0° | 180.0° |
| N2 | C6 | C10 | H102 | 60.0° | 60.0° |
| N2 | C6 | C10 | H103 | 60.0° | 60.1° |
| C10 | C6 | H61C | H62C | 117.3° | 120.0° |
| C6 | C10 | H101 | H102 | 120.0° | 120.0° |
| C6 | C10 | H101 | H103 | 120.0° | 119.9° |
| C6 | C10 | H102 | H103 | 120.0° | 120.0° |
| H21C | C2 | C3 | H31C | 156.7° | 60.0° |
| H21C | C2 | C3 | H32C | 84.2° | 180.0° |
| H22C | C2 | C3 | H31C | 85.1° | 180.0° |
| H22C | C2 | C3 | H32C | 34.1° | 60.0° |
| HA | N1 | C3 | H31C | 174.7° | 176.0° |
| HA | N1 | C3 | H32C | 66.1° | 63.9° |
| H41C | C4 | H42C | H43C | 120.0° | 120.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
| H61C | C6 | C10 | H101 | 59.1° | 60.0° |
| H61C | C6 | C10 | H102 | 179.2° | 180.0° |
| H61C | C6 | C10 | H103 | 60.8° | 60.0° |
| H62C | C6 | C10 | H101 | 59.2° | 60.0° |
| H62C | C6 | C10 | H102 | 60.9° | 60.0° |
| H62C | C6 | C10 | H103 | 179.2° | 180.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
