ETM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SD | C1 | sing | 1.81Å | 1.47Å | |
| SD | HSD | sing | 1.34Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | N1 | sing | 1.47Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| N1 | C3 | sing | 1.47Å | 1.51Å | |
| N1 | C4 | sing | 1.47Å | 1.45Å | |
| N1 | C5 | sing | 1.47Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.12Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | SD | HSD | 119.6° | 100.0° |
| SD | C1 | C2 | 119.6° | 109.5° |
| SD | C1 | H11 | 108.6° | 109.5° |
| SD | C1 | H12 | 108.6° | 109.5° |
| C2 | C1 | H11 | 108.6° | 109.5° |
| C2 | C1 | H12 | 108.5° | 109.4° |
| C1 | C2 | N1 | 105.6° | 109.5° |
| C1 | C2 | H21 | 113.7° | 109.5° |
| C1 | C2 | H22 | 113.7° | 109.4° |
| H11 | C1 | H12 | 101.4° | 109.5° |
| N1 | C2 | H21 | 113.7° | 109.5° |
| N1 | C2 | H22 | 113.7° | 109.5° |
| C2 | N1 | C3 | 113.4° | 109.5° |
| C2 | N1 | C4 | 108.0° | 109.5° |
| C2 | N1 | C5 | 113.4° | 109.5° |
| H21 | C2 | H22 | 96.7° | 109.5° |
| C3 | N1 | C4 | 106.9° | 109.5° |
| C3 | N1 | C5 | 110.0° | 109.5° |
| N1 | C3 | H31 | 113.4° | 109.4° |
| N1 | C3 | H32 | 110.7° | 109.5° |
| N1 | C3 | H33 | 110.8° | 109.5° |
| C4 | N1 | C5 | 104.6° | 109.5° |
| N1 | C4 | H41 | 108.0° | 109.5° |
| N1 | C4 | H42 | 112.8° | 109.5° |
| N1 | C4 | H43 | 112.8° | 109.4° |
| N1 | C5 | H51 | 113.4° | 109.5° |
| N1 | C5 | H52 | 110.7° | 109.4° |
| N1 | C5 | H53 | 110.7° | 109.4° |
| H31 | C3 | H32 | 110.8° | 109.5° |
| H31 | C3 | H33 | 110.9° | 109.5° |
| H32 | C3 | H33 | 99.5° | 109.5° |
| H41 | C4 | H42 | 112.7° | 109.5° |
| H41 | C4 | H43 | 112.7° | 109.5° |
| H42 | C4 | H43 | 97.7° | 109.5° |
| H51 | C5 | H52 | 110.9° | 109.5° |
| H51 | C5 | H53 | 110.8° | 109.5° |
| H52 | C5 | H53 | 99.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SD | C1 | C2 | H11 | 125.3° | 120.1° |
| SD | C1 | C2 | H12 | 125.3° | 120.0° |
| SD | C1 | H11 | H12 | 114.3° | 120.0° |
| SD | C1 | C2 | N1 | 105.6° | 180.0° |
| SD | C1 | C2 | H21 | 129.1° | 59.9° |
| SD | C1 | C2 | H22 | 19.7° | 60.0° |
| HSD | SD | C1 | C2 | 180.0° | 180.0° |
| HSD | SD | C1 | H11 | 54.7° | 60.0° |
| HSD | SD | C1 | H12 | 54.8° | 60.0° |
| C2 | C1 | H11 | H12 | 114.2° | 119.9° |
| C1 | C2 | N1 | H21 | 125.3° | 120.0° |
| C1 | C2 | N1 | H22 | 125.3° | 119.9° |
| C1 | C2 | H21 | H22 | 119.5° | 119.9° |
| C1 | C2 | N1 | C3 | 57.1° | 60.0° |
| C1 | C2 | N1 | C4 | 175.3° | 60.0° |
| C1 | C2 | N1 | C5 | 69.3° | 180.0° |
| H11 | C1 | C2 | N1 | 19.7° | 59.9° |
| H11 | C1 | C2 | H21 | 105.6° | 180.0° |
| H11 | C1 | C2 | H22 | 145.0° | 60.0° |
| H12 | C1 | C2 | N1 | 129.1° | 60.0° |
| H12 | C1 | C2 | H21 | 3.8° | 60.0° |
| H12 | C1 | C2 | H22 | 105.6° | 180.0° |
| N1 | C2 | H21 | H22 | 119.6° | 120.0° |
| C2 | N1 | C3 | C4 | 118.9° | 120.0° |
| C2 | N1 | C3 | C5 | 128.1° | 120.0° |
| C2 | N1 | C4 | C5 | 121.1° | 120.0° |
| C2 | N1 | C3 | H31 | 180.0° | 60.0° |
| C2 | N1 | C3 | H32 | 54.7° | 60.0° |
| C2 | N1 | C3 | H33 | 54.7° | 180.0° |
| C2 | N1 | C4 | H41 | 180.0° | 180.0° |
| C2 | N1 | C4 | H42 | 54.7° | 60.0° |
| C2 | N1 | C4 | H43 | 54.7° | 60.0° |
| C2 | N1 | C5 | H51 | 180.0° | 60.0° |
| C2 | N1 | C5 | H52 | 54.7° | 60.0° |
| C2 | N1 | C5 | H53 | 54.7° | 179.9° |
| H21 | C2 | N1 | C3 | 177.6° | 180.0° |
| H21 | C2 | N1 | C4 | 59.4° | 60.0° |
| H21 | C2 | N1 | C5 | 56.0° | 60.0° |
| H22 | C2 | N1 | C3 | 68.2° | 60.0° |
| H22 | C2 | N1 | C4 | 50.0° | 180.0° |
| H22 | C2 | N1 | C5 | 165.4° | 60.0° |
| C3 | N1 | C4 | C5 | 116.6° | 120.0° |
| N1 | C3 | H31 | H32 | 125.2° | 120.0° |
| N1 | C3 | H31 | H33 | 125.3° | 120.0° |
| N1 | C3 | H32 | H33 | 116.6° | 120.0° |
| C3 | N1 | C4 | H41 | 57.7° | 60.0° |
| C3 | N1 | C4 | H42 | 177.0° | 180.0° |
| C3 | N1 | C4 | H43 | 67.6° | 60.0° |
| C3 | N1 | C5 | H51 | 51.9° | 60.0° |
| C3 | N1 | C5 | H52 | 73.4° | 180.0° |
| C3 | N1 | C5 | H53 | 177.2° | 60.0° |
| C4 | N1 | C3 | H31 | 61.1° | 60.0° |
| C4 | N1 | C3 | H32 | 64.1° | 180.0° |
| C4 | N1 | C3 | H33 | 173.5° | 60.0° |
| N1 | C4 | H41 | H42 | 125.3° | 120.0° |
| N1 | C4 | H41 | H43 | 125.3° | 120.0° |
| N1 | C4 | H42 | H43 | 118.7° | 119.9° |
| C4 | N1 | C5 | H51 | 62.5° | 180.0° |
| C4 | N1 | C5 | H52 | 172.1° | 60.0° |
| C4 | N1 | C5 | H53 | 62.7° | 59.9° |
| C5 | N1 | C3 | H31 | 51.9° | 180.0° |
| C5 | N1 | C3 | H32 | 177.1° | 60.0° |
| C5 | N1 | C3 | H33 | 73.4° | 60.0° |
| C5 | N1 | C4 | H41 | 58.9° | 60.0° |
| C5 | N1 | C4 | H42 | 66.4° | 60.0° |
| C5 | N1 | C4 | H43 | 175.8° | 180.0° |
| N1 | C5 | H51 | H52 | 125.3° | 120.0° |
| N1 | C5 | H51 | H53 | 125.2° | 120.0° |
| N1 | C5 | H52 | H53 | 116.6° | 119.9° |
| H31 | C3 | H32 | H33 | 116.7° | 120.0° |
| H41 | C4 | H42 | H43 | 118.6° | 120.1° |
| H51 | C5 | H52 | H53 | 116.7° | 120.1° |
