T2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| N2 | N3 | sing | 1.40Å | 1.40Å | |
| N2 | C11 | sing | 1.35Å | 1.46Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O5 | doub | 1.22Å | 1.25Å | |
| C4 | O6 | sing | 1.34Å | 1.38Å | |
| O6 | C7 | sing | 1.45Å | 1.41Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C11 | N12 | trip | 1.14Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H11 | 112.3° | 109.4° |
| N2 | C1 | H12 | 109.2° | 109.5° |
| N2 | C1 | H13 | 112.3° | 109.5° |
| C1 | N2 | N3 | 109.2° | 120.0° |
| C1 | N2 | C11 | 110.8° | 119.9° |
| H11 | C1 | H12 | 112.3° | 109.5° |
| H11 | C1 | H13 | 98.1° | 109.4° |
| H12 | C1 | H13 | 112.3° | 109.5° |
| N3 | N2 | C11 | 109.3° | 120.1° |
| N2 | N3 | C4 | 120.3° | 120.0° |
| N2 | N3 | HN3 | 122.6° | 120.0° |
| N2 | C11 | N12 | 119.4° | 180.0° |
| C4 | N3 | HN3 | 117.1° | 120.0° |
| N3 | C4 | O5 | 119.3° | 120.0° |
| N3 | C4 | O6 | 118.3° | 120.1° |
| O5 | C4 | O6 | 122.4° | 120.0° |
| C4 | O6 | C7 | 116.0° | 120.1° |
| O6 | C7 | C8 | 111.1° | 109.5° |
| O6 | C7 | C9 | 107.9° | 109.5° |
| O6 | C7 | C10 | 109.3° | 109.5° |
| C8 | C7 | C9 | 108.3° | 109.5° |
| C8 | C7 | C10 | 110.8° | 109.4° |
| C7 | C8 | H81 | 111.6° | 109.4° |
| C7 | C8 | H82 | 111.1° | 109.5° |
| C7 | C8 | H83 | 111.6° | 109.4° |
| C9 | C7 | C10 | 109.3° | 109.5° |
| C7 | C9 | H91 | 112.8° | 109.5° |
| C7 | C9 | H92 | 107.9° | 109.5° |
| C7 | C9 | H93 | 112.8° | 109.5° |
| C7 | C10 | H101 | 112.3° | 109.5° |
| C7 | C10 | H102 | 109.3° | 109.4° |
| C7 | C10 | H103 | 112.3° | 109.4° |
| H81 | C8 | H82 | 111.6° | 109.5° |
| H81 | C8 | H83 | 98.8° | 109.5° |
| H82 | C8 | H83 | 111.6° | 109.5° |
| H91 | C9 | H92 | 112.7° | 109.4° |
| H91 | C9 | H93 | 97.6° | 109.5° |
| H92 | C9 | H93 | 112.8° | 109.4° |
| H101 | C10 | H102 | 112.3° | 109.5° |
| H101 | C10 | H103 | 98.2° | 109.5° |
| H102 | C10 | H103 | 112.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H11 | H12 | 123.5° | 120.0° |
| N2 | C1 | H11 | H13 | 118.3° | 120.0° |
| N2 | C1 | H12 | H13 | 125.3° | 120.1° |
| C1 | N2 | N3 | C11 | 121.4° | 180.0° |
| C1 | N2 | N3 | C4 | 117.1° | 90.0° |
| C1 | N2 | N3 | HN3 | 62.9° | 90.0° |
| C1 | N2 | C11 | N12 | 11.0° | 132.4° |
| H11 | C1 | H12 | H13 | 109.4° | 120.0° |
| H11 | C1 | N2 | N3 | 54.7° | 0.0° |
| H11 | C1 | N2 | C11 | 65.7° | 180.0° |
| H12 | C1 | N2 | N3 | 180.0° | 120.0° |
| H12 | C1 | N2 | C11 | 59.5° | 60.0° |
| H13 | C1 | N2 | N3 | 54.7° | 119.9° |
| H13 | C1 | N2 | C11 | 175.2° | 60.0° |
| N2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| N2 | N3 | C4 | O5 | 4.6° | 179.9° |
| N2 | N3 | C4 | O6 | 175.3° | 0.0° |
| N3 | N2 | C11 | N12 | 131.4° | 47.6° |
| C11 | N2 | N3 | C4 | 121.6° | 90.0° |
| C11 | N2 | N3 | HN3 | 58.4° | 90.0° |
| N3 | C4 | O5 | O6 | 179.9° | 180.0° |
| N3 | C4 | O6 | C7 | 176.3° | 180.0° |
| HN3 | N3 | C4 | O5 | 175.4° | 0.0° |
| HN3 | N3 | C4 | O6 | 4.7° | 180.0° |
| O5 | C4 | O6 | C7 | 3.8° | 0.0° |
| C4 | O6 | C7 | C8 | 55.7° | 179.9° |
| C4 | O6 | C7 | C9 | 174.3° | 60.0° |
| C4 | O6 | C7 | C10 | 66.9° | 60.0° |
| O6 | C7 | C8 | C9 | 118.4° | 120.0° |
| O6 | C7 | C8 | C10 | 121.8° | 120.0° |
| O6 | C7 | C9 | C10 | 118.8° | 120.0° |
| O6 | C7 | C8 | H81 | 54.7° | 180.0° |
| O6 | C7 | C8 | H82 | 180.0° | 60.0° |
| O6 | C7 | C8 | H83 | 54.8° | 60.0° |
| O6 | C7 | C9 | H91 | 54.7° | 60.0° |
| O6 | C7 | C9 | H92 | 180.0° | 60.0° |
| O6 | C7 | C9 | H93 | 54.7° | 179.9° |
| O6 | C7 | C10 | H101 | 54.7° | 60.0° |
| O6 | C7 | C10 | H102 | 180.0° | 180.0° |
| O6 | C7 | C10 | H103 | 54.7° | 60.1° |
| C8 | C7 | C9 | C10 | 120.8° | 120.0° |
| C7 | C8 | H81 | H82 | 125.0° | 120.0° |
| C7 | C8 | H81 | H83 | 117.5° | 120.0° |
| C7 | C8 | H82 | H83 | 125.2° | 120.0° |
| C8 | C7 | C9 | H91 | 65.6° | 60.0° |
| C8 | C7 | C9 | H92 | 59.6° | 180.0° |
| C8 | C7 | C9 | H93 | 175.1° | 60.0° |
| C8 | C7 | C10 | H101 | 177.6° | 60.0° |
| C8 | C7 | C10 | H102 | 57.2° | 60.1° |
| C8 | C7 | C10 | H103 | 68.1° | 180.0° |
| C9 | C7 | C8 | H81 | 173.1° | 60.0° |
| C9 | C7 | C8 | H82 | 61.6° | 180.0° |
| C9 | C7 | C8 | H83 | 63.6° | 60.0° |
| C7 | C9 | H91 | H92 | 122.6° | 120.0° |
| C7 | C9 | H91 | H93 | 118.7° | 120.0° |
| C7 | C9 | H92 | H93 | 125.3° | 120.0° |
| C9 | C7 | C10 | H101 | 63.2° | 180.0° |
| C9 | C7 | C10 | H102 | 62.1° | 59.9° |
| C9 | C7 | C10 | H103 | 172.7° | 60.0° |
| C10 | C7 | C8 | H81 | 67.0° | 60.0° |
| C10 | C7 | C8 | H82 | 58.2° | 59.9° |
| C10 | C7 | C8 | H83 | 176.5° | 180.0° |
| C10 | C7 | C9 | H91 | 173.6° | 180.0° |
| C10 | C7 | C9 | H92 | 61.2° | 60.0° |
| C10 | C7 | C9 | H93 | 64.1° | 59.9° |
| C7 | C10 | H101 | H102 | 123.6° | 120.0° |
| C7 | C10 | H101 | H103 | 118.2° | 120.0° |
| C7 | C10 | H102 | H103 | 125.3° | 119.9° |
| H81 | C8 | H82 | H83 | 109.5° | 120.1° |
| H91 | C9 | H92 | H93 | 109.4° | 120.0° |
| H101 | C10 | H102 | H103 | 109.5° | 120.1° |
