SMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O61 | C6 | sing | 1.34Å | 1.25Å | |
| O61 | H61 | sing | 0.97Å | 0.95Å | |
| O62 | C6 | doub | 1.21Å | 1.26Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.51Å | 1.46Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| O31 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| O11 | C2 | doub | 1.21Å | 1.25Å | |
| O12 | C2 | sing | 1.34Å | 1.25Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | CB | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | SD | sing | 1.81Å | 1.80Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| SD | CE | sing | 1.81Å | 1.80Å | |
| CE | HE1 | sing | 1.09Å | 1.12Å | |
| CE | HE2 | sing | 1.09Å | 1.11Å | |
| CE | HE3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O61 | H61 | 120.0° | 120.1° |
| O61 | C6 | O62 | 120.0° | 119.9° |
| O61 | C6 | C5 | 117.7° | 120.0° |
| O62 | C6 | C5 | 122.2° | 120.0° |
| C6 | C5 | C4 | 109.1° | 109.5° |
| C6 | C5 | H51 | 112.3° | 109.5° |
| C6 | C5 | H52 | 112.3° | 109.5° |
| C4 | C5 | H51 | 112.3° | 109.5° |
| C4 | C5 | H52 | 112.4° | 109.4° |
| C5 | C4 | C3 | 113.3° | 109.5° |
| C5 | C4 | H41 | 110.8° | 109.5° |
| C5 | C4 | H42 | 110.7° | 109.5° |
| H51 | C5 | H52 | 98.1° | 109.5° |
| C3 | C4 | H41 | 110.8° | 109.4° |
| C3 | C4 | H42 | 110.8° | 109.5° |
| C4 | C3 | O31 | 119.2° | 119.9° |
| C4 | C3 | N1 | 120.4° | 120.0° |
| H41 | C4 | H42 | 99.5° | 109.5° |
| O31 | C3 | N1 | 120.3° | 120.0° |
| C3 | N1 | C1 | 119.4° | 120.1° |
| C3 | N1 | HN1 | 115.9° | 120.0° |
| C1 | N1 | HN1 | 124.7° | 120.0° |
| N1 | C1 | C2 | 107.5° | 109.5° |
| N1 | C1 | CB | 111.2° | 109.5° |
| N1 | C1 | H1 | 109.1° | 109.4° |
| O11 | C2 | O12 | 121.9° | 120.0° |
| O11 | C2 | C1 | 119.1° | 120.1° |
| C2 | O12 | H12 | 121.8° | 120.0° |
| O12 | C2 | C1 | 118.9° | 120.0° |
| C2 | C1 | CB | 107.7° | 109.5° |
| C2 | C1 | H1 | 112.5° | 109.4° |
| CB | C1 | H1 | 108.8° | 109.5° |
| C1 | CB | CG | 108.4° | 109.5° |
| C1 | CB | HB1 | 112.7° | 109.5° |
| C1 | CB | HB2 | 112.7° | 109.5° |
| CG | CB | HB1 | 112.6° | 109.4° |
| CG | CB | HB2 | 112.6° | 109.5° |
| CB | CG | SD | 113.8° | 109.5° |
| CB | CG | HG1 | 110.6° | 109.4° |
| CB | CG | HG2 | 110.6° | 109.5° |
| HB1 | CB | HB2 | 97.8° | 109.4° |
| SD | CG | HG1 | 110.6° | 109.5° |
| SD | CG | HG2 | 110.6° | 109.5° |
| CG | SD | CE | 114.7° | 100.0° |
| HG1 | CG | HG2 | 99.7° | 109.4° |
| SD | CE | HE1 | 114.7° | 109.5° |
| SD | CE | HE2 | 110.3° | 109.5° |
| SD | CE | HE3 | 110.3° | 109.4° |
| HE1 | CE | HE2 | 110.3° | 109.5° |
| HE1 | CE | HE3 | 110.3° | 109.5° |
| HE2 | CE | HE3 | 100.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O61 | C6 | O62 | C5 | 178.1° | 179.9° |
| O61 | C6 | C5 | C4 | 76.0° | 180.0° |
| O61 | C6 | C5 | H51 | 158.7° | 59.9° |
| O61 | C6 | C5 | H52 | 49.3° | 60.1° |
| H61 | O61 | C6 | O62 | 180.0° | 0.0° |
| H61 | O61 | C6 | C5 | 1.8° | 180.0° |
| O62 | C6 | C5 | C4 | 102.1° | 0.1° |
| O62 | C6 | C5 | H51 | 23.1° | 120.0° |
| O62 | C6 | C5 | H52 | 132.6° | 120.0° |
| C6 | C5 | C4 | H51 | 125.2° | 120.1° |
| C6 | C5 | C4 | H52 | 125.3° | 120.0° |
| C6 | C5 | H51 | H52 | 118.2° | 120.0° |
| C6 | C5 | C4 | C3 | 162.8° | 180.0° |
| C6 | C5 | C4 | H41 | 71.9° | 60.0° |
| C6 | C5 | C4 | H42 | 37.5° | 60.0° |
| C4 | C5 | H51 | H52 | 118.3° | 119.9° |
| C5 | C4 | C3 | H41 | 125.3° | 120.0° |
| C5 | C4 | C3 | H42 | 125.2° | 120.0° |
| C5 | C4 | H41 | H42 | 116.6° | 120.0° |
| C5 | C4 | C3 | O31 | 90.1° | 0.0° |
| C5 | C4 | C3 | N1 | 93.5° | 180.0° |
| H51 | C5 | C4 | C3 | 37.5° | 60.0° |
| H51 | C5 | C4 | H41 | 162.9° | 179.9° |
| H51 | C5 | C4 | H42 | 87.7° | 60.1° |
| H52 | C5 | C4 | C3 | 71.9° | 60.0° |
| H52 | C5 | C4 | H41 | 53.4° | 60.0° |
| H52 | C5 | C4 | H42 | 162.8° | 180.0° |
| C3 | C4 | H41 | H42 | 116.7° | 120.0° |
| C4 | C3 | O31 | N1 | 176.3° | 180.0° |
| C4 | C3 | N1 | C1 | 174.1° | 180.0° |
| C4 | C3 | N1 | HN1 | 5.9° | 0.0° |
| H41 | C4 | C3 | O31 | 35.2° | 120.0° |
| H41 | C4 | C3 | N1 | 141.2° | 60.0° |
| H42 | C4 | C3 | O31 | 144.6° | 120.0° |
| H42 | C4 | C3 | N1 | 31.7° | 60.0° |
| O31 | C3 | N1 | C1 | 2.2° | 0.0° |
| O31 | C3 | N1 | HN1 | 177.8° | 180.0° |
| C3 | N1 | C1 | HN1 | 180.0° | 179.9° |
| C3 | N1 | C1 | C2 | 99.3° | 89.9° |
| C3 | N1 | C1 | CB | 143.0° | 150.0° |
| C3 | N1 | C1 | H1 | 22.9° | 30.0° |
| N1 | C1 | C2 | O11 | 5.1° | 150.0° |
| N1 | C1 | C2 | O12 | 177.6° | 30.1° |
| N1 | C1 | C2 | CB | 120.0° | 120.1° |
| N1 | C1 | C2 | H1 | 120.1° | 119.9° |
| N1 | C1 | CB | H1 | 120.2° | 119.9° |
| N1 | C1 | CB | CG | 11.8° | 59.9° |
| N1 | C1 | CB | HB1 | 137.0° | 60.1° |
| N1 | C1 | CB | HB2 | 113.5° | 180.0° |
| HN1 | N1 | C1 | C2 | 80.7° | 90.0° |
| HN1 | N1 | C1 | CB | 37.0° | 30.1° |
| HN1 | N1 | C1 | H1 | 157.0° | 150.1° |
| O11 | C2 | O12 | C1 | 177.2° | 179.9° |
| O11 | C2 | O12 | H12 | 179.9° | 0.0° |
| O11 | C2 | C1 | CB | 125.1° | 89.9° |
| O11 | C2 | C1 | H1 | 115.0° | 30.1° |
| O12 | C2 | C1 | CB | 57.6° | 90.0° |
| O12 | C2 | C1 | H1 | 62.3° | 150.0° |
| H12 | O12 | C2 | C1 | 2.9° | 179.9° |
| C2 | C1 | CB | H1 | 122.3° | 120.0° |
| C2 | C1 | CB | CG | 129.3° | 180.0° |
| C2 | C1 | CB | HB1 | 105.4° | 60.0° |
| C2 | C1 | CB | HB2 | 4.1° | 59.9° |
| C1 | CB | CG | HB1 | 125.3° | 120.0° |
| C1 | CB | CG | HB2 | 125.3° | 120.1° |
| C1 | CB | HB1 | HB2 | 118.6° | 120.0° |
| C1 | CB | CG | SD | 129.9° | 180.0° |
| C1 | CB | CG | HG1 | 104.9° | 60.0° |
| C1 | CB | CG | HG2 | 4.6° | 59.9° |
| H1 | C1 | CB | CG | 108.4° | 60.0° |
| H1 | C1 | CB | HB1 | 16.9° | 180.0° |
| H1 | C1 | CB | HB2 | 126.4° | 60.0° |
| CG | CB | HB1 | HB2 | 118.5° | 119.9° |
| CB | CG | SD | HG1 | 125.2° | 120.0° |
| CB | CG | SD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 116.5° | 119.9° |
| CB | CG | SD | CE | 40.0° | 180.0° |
| HB1 | CB | CG | SD | 4.6° | 60.0° |
| HB1 | CB | CG | HG1 | 129.8° | 180.0° |
| HB1 | CB | CG | HG2 | 120.7° | 60.1° |
| HB2 | CB | CG | SD | 104.8° | 60.0° |
| HB2 | CB | CG | HG1 | 20.4° | 60.1° |
| HB2 | CB | CG | HG2 | 129.9° | 180.0° |
| SD | CG | HG1 | HG2 | 116.4° | 120.0° |
| CG | SD | CE | HE1 | 180.0° | 180.0° |
| CG | SD | CE | HE2 | 54.7° | 60.0° |
| CG | SD | CE | HE3 | 54.7° | 60.0° |
| HG1 | CG | SD | CE | 165.2° | 60.0° |
| HG2 | CG | SD | CE | 85.3° | 60.0° |
| SD | CE | HE1 | HE2 | 125.2° | 120.0° |
| SD | CE | HE1 | HE3 | 125.2° | 120.0° |
| SD | CE | HE2 | HE3 | 116.1° | 120.0° |
| HE1 | CE | HE2 | HE3 | 116.2° | 120.0° |
