S5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.49Å | |
| S04 | C03 | doub | 1.71Å | 1.62Å | |
| N02 | C03 | sing | 1.33Å | 1.43Å | |
| N02 | C09 | sing | 1.45Å | 1.81Å | |
| C03 | S05 | sing | 1.77Å | 1.75Å | |
| C11 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C09 | C06 | sing | 1.53Å | 1.43Å | |
| S05 | C06 | sing | 1.82Å | 1.71Å | |
| C06 | N07 | sing | 1.47Å | 1.54Å | |
| N07 | O08 | sing | 1.46Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N07 | H11 | sing | 1.01Å | 1.00Å | |
| O08 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 124.6° | 120.6° |
| C01 | N02 | C09 | 128.1° | 120.6° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| S04 | C03 | N02 | 124.6° | 125.2° |
| S04 | C03 | S05 | 123.8° | 125.2° |
| C03 | N02 | C09 | 107.3° | 118.8° |
| N02 | C03 | S05 | 105.0° | 109.6° |
| N02 | C09 | C11 | 113.2° | 108.9° |
| N02 | C09 | C10 | 108.3° | 109.0° |
| N02 | C09 | C06 | 98.6° | 111.7° |
| C03 | S05 | C06 | 100.3° | 96.0° |
| C11 | C09 | C10 | 110.8° | 109.0° |
| C11 | C09 | C06 | 110.6° | 109.1° |
| C09 | C11 | H8 | 109.5° | 109.5° |
| C09 | C11 | H9 | 109.5° | 109.5° |
| C09 | C11 | H10 | 109.5° | 109.4° |
| C10 | C09 | C06 | 114.9° | 109.1° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.4° |
| C09 | C06 | S05 | 102.8° | 104.0° |
| C09 | C06 | N07 | 115.6° | 110.5° |
| C09 | C06 | H7 | 110.7° | 110.5° |
| S05 | C06 | N07 | 110.9° | 110.5° |
| S05 | C06 | H7 | 107.2° | 110.7° |
| C06 | N07 | O08 | 112.1° | 111.0° |
| N07 | C06 | H7 | 109.1° | 110.5° |
| C06 | N07 | H11 | 108.8° | 111.0° |
| O08 | N07 | H11 | 108.8° | 111.0° |
| N07 | O08 | H12 | 109.5° | 114.1° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | S04 | 12.5° | 0.3° |
| C01 | N02 | C03 | C09 | 179.6° | 180.0° |
| C01 | N02 | C03 | S05 | 164.6° | 180.0° |
| C01 | N02 | C09 | C11 | 19.1° | 59.4° |
| C01 | N02 | C09 | C10 | 104.2° | 59.4° |
| C01 | N02 | C09 | C06 | 135.9° | 180.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| S04 | C03 | N02 | S05 | 152.1° | 179.7° |
| S04 | C03 | N02 | C09 | 167.1° | 179.7° |
| S04 | C03 | S05 | C06 | 139.9° | 179.7° |
| C03 | N02 | C09 | C11 | 160.5° | 120.6° |
| C03 | N02 | C09 | C10 | 76.2° | 120.6° |
| C03 | N02 | C09 | C06 | 43.7° | 0.0° |
| N02 | C03 | S05 | C06 | 12.5° | 0.0° |
| C03 | N02 | C01 | H4 | 180.0° | 0.0° |
| C03 | N02 | C01 | H5 | 60.0° | 120.0° |
| C03 | N02 | C01 | H6 | 60.0° | 120.0° |
| C09 | N02 | C03 | S05 | 15.1° | 0.0° |
| N02 | C09 | C11 | C10 | 121.9° | 118.8° |
| N02 | C09 | C11 | C06 | 109.5° | 122.2° |
| N02 | C09 | C10 | C06 | 109.0° | 122.2° |
| N02 | C09 | C06 | S05 | 49.1° | 0.0° |
| N02 | C09 | C06 | N07 | 170.1° | 118.6° |
| N02 | C09 | C10 | H1 | 180.0° | 62.2° |
| N02 | C09 | C10 | H2 | 60.0° | 57.8° |
| N02 | C09 | C10 | H3 | 60.0° | 177.8° |
| C09 | N02 | C01 | H4 | 0.5° | 180.0° |
| C09 | N02 | C01 | H5 | 120.5° | 60.0° |
| C09 | N02 | C01 | H6 | 119.5° | 60.0° |
| N02 | C09 | C06 | H7 | 65.1° | 118.8° |
| N02 | C09 | C11 | H8 | 180.0° | 59.6° |
| N02 | C09 | C11 | H9 | 60.0° | 60.5° |
| N02 | C09 | C11 | H10 | 60.0° | 179.6° |
| C03 | S05 | C06 | C09 | 42.5° | 0.0° |
| C03 | S05 | C06 | N07 | 166.7° | 118.6° |
| C03 | S05 | C06 | H7 | 74.2° | 118.7° |
| C11 | C09 | C10 | C06 | 126.3° | 119.0° |
| C11 | C09 | C06 | S05 | 167.9° | 120.5° |
| C11 | C09 | C06 | N07 | 71.1° | 120.9° |
| C11 | C09 | C10 | H1 | 55.3° | 179.0° |
| C11 | C09 | C10 | H2 | 175.3° | 61.0° |
| C11 | C09 | C10 | H3 | 64.8° | 59.0° |
| C11 | C09 | C06 | H7 | 53.7° | 1.7° |
| C09 | C11 | H8 | H9 | 120.0° | 120.0° |
| C09 | C11 | H8 | H10 | 120.0° | 120.0° |
| C09 | C11 | H9 | H10 | 120.0° | 119.9° |
| C10 | C09 | C06 | S05 | 65.7° | 120.5° |
| C10 | C09 | C06 | N07 | 55.3° | 2.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 119.9° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C06 | H7 | 179.9° | 120.7° |
| C10 | C09 | C11 | H8 | 58.1° | 59.3° |
| C10 | C09 | C11 | H9 | 61.9° | 179.3° |
| C10 | C09 | C11 | H10 | 178.1° | 60.8° |
| C09 | C06 | S05 | N07 | 124.2° | 118.6° |
| C09 | C06 | S05 | H7 | 116.7° | 118.7° |
| C09 | C06 | N07 | H7 | 125.5° | 122.7° |
| C09 | C06 | N07 | O08 | 134.0° | 151.9° |
| C06 | C09 | C10 | H1 | 71.0° | 60.0° |
| C06 | C09 | C10 | H2 | 49.0° | 180.0° |
| C06 | C09 | C10 | H3 | 169.0° | 60.0° |
| C06 | C09 | C11 | H8 | 70.5° | 178.3° |
| C06 | C09 | C11 | H9 | 169.5° | 61.7° |
| C06 | C09 | C11 | H10 | 49.5° | 58.2° |
| C09 | C06 | N07 | H11 | 105.6° | 84.1° |
| S05 | C06 | N07 | H7 | 117.9° | 122.8° |
| S05 | C06 | N07 | O08 | 109.5° | 93.5° |
| S05 | C06 | N07 | H11 | 10.9° | 30.4° |
| C06 | N07 | O08 | H11 | 120.4° | 124.0° |
| C06 | N07 | O08 | H12 | 180.0° | 180.0° |
| O08 | N07 | C06 | H7 | 8.4° | 29.3° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C06 | N07 | H11 | 128.8° | 153.3° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | N07 | O08 | H12 | 59.6° | 56.0° |
