GYG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | S02 | doub | 1.42Å | 1.51Å | |
| O01 | S02 | doub | 1.42Å | 1.51Å | |
| S02 | O24 | sing | 1.52Å | 1.51Å | |
| S02 | C2 | sing | 1.81Å | 1.77Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| O7 | C7 | sing | 1.43Å | 1.40Å | |
| O6 | C2 | sing | 1.43Å | 1.45Å | |
| O6 | C6 | sing | 1.43Å | 1.48Å | |
| N06 | C4 | sing | 1.46Å | 1.52Å | |
| N06 | C07 | sing | 1.37Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.48Å | |
| O10 | C10 | doub | 1.21Å | 1.19Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | N5 | sing | 1.47Å | 1.49Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| N08 | C07 | doub | 1.30Å | 1.44Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | O9 | sing | 1.43Å | 1.40Å | |
| C8 | O8 | sing | 1.43Å | 1.40Å | |
| C07 | N09 | sing | 1.38Å | 1.25Å | |
| C10 | N5 | sing | 1.35Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C2 | H031 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N09 | H1 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O24 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | S02 | O01 | 110.9° | 121.1° |
| O23 | S02 | O24 | 112.9° | 104.2° |
| O23 | S02 | C2 | 108.7° | 110.5° |
| O01 | S02 | O24 | 104.6° | 104.3° |
| O01 | S02 | C2 | 110.3° | 110.6° |
| O24 | S02 | C2 | 109.5° | 104.4° |
| S02 | O24 | H2 | 109.5° | 113.9° |
| S02 | C2 | C3 | 110.2° | 109.4° |
| S02 | C2 | O6 | 107.5° | 109.5° |
| S02 | C2 | H031 | 106.7° | 109.5° |
| C2 | C3 | C4 | 109.8° | 109.1° |
| C3 | C2 | O6 | 112.2° | 109.4° |
| C3 | C2 | H031 | 109.6° | 109.5° |
| C2 | C3 | H32 | 109.4° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.5° |
| C3 | C4 | N06 | 108.2° | 109.5° |
| C3 | C4 | C5 | 112.2° | 109.0° |
| C4 | C3 | H32 | 109.4° | 109.5° |
| C4 | C3 | H31 | 109.4° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.6° |
| O7 | C7 | C6 | 107.5° | 109.5° |
| O7 | C7 | C8 | 107.3° | 109.5° |
| O7 | C7 | H7 | 112.1° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C2 | O6 | C6 | 107.4° | 114.1° |
| O6 | C2 | H031 | 110.6° | 109.5° |
| O6 | C6 | C5 | 108.0° | 109.4° |
| O6 | C6 | C7 | 104.8° | 109.5° |
| O6 | C6 | H6 | 109.9° | 109.5° |
| C4 | N06 | C07 | 118.5° | 120.0° |
| N06 | C4 | C5 | 109.9° | 109.6° |
| N06 | C4 | H4 | 108.6° | 109.6° |
| C4 | N06 | H061 | 120.8° | 120.0° |
| N06 | C07 | N08 | 118.3° | 120.0° |
| N06 | C07 | N09 | 121.0° | 120.0° |
| C07 | N06 | H061 | 120.8° | 120.0° |
| C4 | C5 | C6 | 112.6° | 109.2° |
| C4 | C5 | N5 | 107.7° | 109.6° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | H5 | 109.6° | 109.5° |
| O10 | C10 | N5 | 120.5° | 120.0° |
| O10 | C10 | C11 | 121.0° | 120.0° |
| C6 | C5 | N5 | 108.3° | 109.5° |
| C5 | C6 | C7 | 115.3° | 109.5° |
| C6 | C5 | H5 | 109.1° | 109.6° |
| C5 | C6 | H6 | 109.1° | 109.5° |
| C5 | N5 | C10 | 119.4° | 120.0° |
| N5 | C5 | H5 | 109.6° | 109.5° |
| C5 | N5 | HN5 | 120.3° | 120.0° |
| C6 | C7 | C8 | 109.3° | 109.5° |
| C7 | C6 | H6 | 109.7° | 109.5° |
| C6 | C7 | H7 | 110.7° | 109.4° |
| C7 | C8 | C9 | 110.4° | 109.4° |
| C7 | C8 | O8 | 109.5° | 109.5° |
| C8 | C7 | H7 | 109.9° | 109.5° |
| C7 | C8 | H8 | 108.5° | 109.4° |
| N08 | C07 | N09 | 120.7° | 120.0° |
| C07 | N08 | H081 | 112.0° | 120.0° |
| C8 | C9 | O9 | 108.6° | 109.4° |
| C9 | C8 | O8 | 109.2° | 109.5° |
| C9 | C8 | H8 | 108.6° | 109.5° |
| C8 | C9 | H92 | 109.7° | 109.5° |
| C8 | C9 | H91 | 109.7° | 109.5° |
| O9 | C9 | H92 | 109.7° | 109.4° |
| O9 | C9 | H91 | 109.7° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 113.9° |
| O8 | C8 | H8 | 110.5° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| C07 | N09 | H1 | 120.0° | 120.0° |
| C07 | N09 | H091 | 120.0° | 120.0° |
| N5 | C10 | C11 | 118.5° | 120.0° |
| C10 | N5 | HN5 | 120.3° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| H32 | C3 | H31 | 109.5° | 109.6° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.4° | 109.5° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| H1 | N09 | H091 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | S02 | O01 | O24 | 122.0° | 116.7° |
| O23 | S02 | O01 | C2 | 120.4° | 131.5° |
| O23 | S02 | O24 | C2 | 121.2° | 116.0° |
| O23 | S02 | C2 | C3 | 67.4° | 68.4° |
| O23 | S02 | C2 | O6 | 55.1° | 51.5° |
| O23 | S02 | C2 | H031 | 173.7° | 171.6° |
| O23 | S02 | O24 | H2 | 120.7° | 64.0° |
| O01 | S02 | O24 | C2 | 118.1° | 116.1° |
| O01 | S02 | C2 | C3 | 54.3° | 68.4° |
| O01 | S02 | C2 | O6 | 176.9° | 171.7° |
| O01 | S02 | C2 | H031 | 64.5° | 51.6° |
| O01 | S02 | O24 | H2 | 0.0° | 63.9° |
| O24 | S02 | C2 | C3 | 168.9° | 180.0° |
| O24 | S02 | C2 | O6 | 68.6° | 60.0° |
| O24 | S02 | C2 | H031 | 50.0° | 60.1° |
| S02 | C2 | C3 | O6 | 119.7° | 120.0° |
| S02 | C2 | C3 | H031 | 117.1° | 120.0° |
| S02 | C2 | C3 | C4 | 176.4° | 177.6° |
| S02 | C2 | O6 | H031 | 116.1° | 120.1° |
| S02 | C2 | O6 | C6 | 173.7° | 178.8° |
| S02 | C2 | C3 | H32 | 56.3° | 57.7° |
| S02 | C2 | C3 | H31 | 63.6° | 62.5° |
| C2 | S02 | O24 | H2 | 118.1° | 180.0° |
| C2 | C3 | C4 | H32 | 120.1° | 119.9° |
| C2 | C3 | C4 | H31 | 120.0° | 119.9° |
| C3 | C2 | O6 | H031 | 122.7° | 120.0° |
| C3 | C2 | O6 | C6 | 65.1° | 61.2° |
| C2 | C3 | C4 | N06 | 169.8° | 176.9° |
| C2 | C3 | C4 | C5 | 48.4° | 57.0° |
| C2 | C3 | H32 | H31 | 119.9° | 120.2° |
| C2 | C3 | C4 | H4 | 72.4° | 62.9° |
| C4 | C3 | C2 | O6 | 56.7° | 57.6° |
| C3 | C4 | N06 | C5 | 122.8° | 119.6° |
| C3 | C4 | N06 | H4 | 118.0° | 120.3° |
| C3 | C4 | N06 | C07 | 144.5° | 85.0° |
| C3 | C4 | C5 | H4 | 120.6° | 119.9° |
| C3 | C4 | C5 | C6 | 51.1° | 57.0° |
| C3 | C4 | C5 | N5 | 170.4° | 176.9° |
| C4 | C3 | C2 | H031 | 66.5° | 62.4° |
| C4 | C3 | H32 | H31 | 119.8° | 120.2° |
| C3 | C4 | C5 | H5 | 70.4° | 63.0° |
| C3 | C4 | N06 | H061 | 35.5° | 95.0° |
| O7 | C7 | C6 | O6 | 51.5° | 64.9° |
| O7 | C7 | C6 | C5 | 67.0° | 55.0° |
| O7 | C7 | C6 | C8 | 116.2° | 120.0° |
| O7 | C7 | C6 | H7 | 122.7° | 120.0° |
| O7 | C7 | C8 | H7 | 122.1° | 120.0° |
| O7 | C7 | C8 | C9 | 60.3° | 60.0° |
| O7 | C7 | C8 | O8 | 179.4° | 180.0° |
| O7 | C7 | C6 | H6 | 169.3° | 175.0° |
| O7 | C7 | C8 | H8 | 58.6° | 60.0° |
| C2 | O6 | C6 | C5 | 63.7° | 61.2° |
| C2 | O6 | C6 | C7 | 172.9° | 178.8° |
| O6 | C2 | C3 | H32 | 63.4° | 62.3° |
| O6 | C2 | C3 | H31 | 176.7° | 177.5° |
| C2 | O6 | C6 | H6 | 55.2° | 58.8° |
| O6 | C6 | C5 | C4 | 58.4° | 57.6° |
| O6 | C6 | C5 | C7 | 116.7° | 119.9° |
| O6 | C6 | C5 | H6 | 119.4° | 120.1° |
| O6 | C6 | C5 | N5 | 177.3° | 177.6° |
| O6 | C6 | C7 | H6 | 117.9° | 120.1° |
| O6 | C6 | C7 | C8 | 64.7° | 55.1° |
| C6 | O6 | C2 | H031 | 57.6° | 58.8° |
| O6 | C6 | C5 | H5 | 63.5° | 62.3° |
| O6 | C6 | C7 | H7 | 174.1° | 175.1° |
| C4 | N06 | C07 | H061 | 180.0° | 180.0° |
| N06 | C4 | C5 | H4 | 118.9° | 120.2° |
| N06 | C4 | C5 | C6 | 171.6° | 176.9° |
| N06 | C4 | C5 | N5 | 69.1° | 63.2° |
| C4 | N06 | C07 | N08 | 180.0° | 0.0° |
| C4 | N06 | C07 | N09 | 0.4° | 180.0° |
| N06 | C4 | C3 | H32 | 49.7° | 56.9° |
| N06 | C4 | C3 | H31 | 70.2° | 63.3° |
| N06 | C4 | C5 | H5 | 50.0° | 56.9° |
| C07 | N06 | C4 | C5 | 92.7° | 155.4° |
| N06 | C07 | N08 | N09 | 179.6° | 179.9° |
| C07 | N06 | C4 | H4 | 26.5° | 35.3° |
| N06 | C07 | N08 | H081 | 179.6° | 180.0° |
| N06 | C07 | N09 | H1 | 179.6° | 0.1° |
| N06 | C07 | N09 | H091 | 0.4° | 180.0° |
| C4 | C5 | C6 | N5 | 118.9° | 119.9° |
| C4 | C5 | C6 | H5 | 121.9° | 119.9° |
| C4 | C5 | N5 | H5 | 119.1° | 120.1° |
| C4 | C5 | C6 | C7 | 175.1° | 177.6° |
| C4 | C5 | N5 | C10 | 102.6° | 84.9° |
| C5 | C4 | C3 | H32 | 71.7° | 63.0° |
| C5 | C4 | C3 | H31 | 168.4° | 176.8° |
| C4 | C5 | C6 | H6 | 61.0° | 62.4° |
| C5 | C4 | N06 | H061 | 87.3° | 24.6° |
| C4 | C5 | N5 | HN5 | 77.4° | 95.0° |
| O10 | C10 | N5 | C5 | 0.5° | 0.1° |
| O10 | C10 | N5 | C11 | 179.7° | 179.9° |
| O10 | C10 | C11 | H111 | 0.0° | 120.0° |
| O10 | C10 | C11 | H113 | 120.0° | 0.0° |
| O10 | C10 | C11 | H112 | 120.0° | 120.1° |
| O10 | C10 | N5 | HN5 | 179.5° | 180.0° |
| C6 | C5 | N5 | H5 | 118.9° | 120.1° |
| C5 | C6 | C7 | H6 | 123.6° | 120.1° |
| C5 | C6 | C7 | C8 | 176.8° | 175.0° |
| C6 | C5 | N5 | C10 | 135.4° | 155.4° |
| C6 | C5 | C4 | H4 | 69.5° | 62.9° |
| C5 | C6 | C7 | H7 | 55.6° | 65.0° |
| C6 | C5 | N5 | HN5 | 44.6° | 24.7° |
| N5 | C5 | C6 | C7 | 66.0° | 62.5° |
| C5 | N5 | C10 | HN5 | 180.0° | 179.9° |
| C5 | N5 | C10 | C11 | 179.1° | 180.0° |
| N5 | C5 | C4 | H4 | 49.8° | 57.0° |
| N5 | C5 | C6 | H6 | 57.9° | 57.5° |
| C6 | C7 | C8 | H7 | 121.6° | 120.0° |
| C6 | C7 | C8 | C9 | 176.6° | 180.0° |
| C6 | C7 | C8 | O8 | 63.1° | 60.0° |
| C7 | C6 | C5 | H5 | 53.2° | 57.6° |
| C6 | C7 | C8 | H8 | 57.6° | 60.0° |
| C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C7 | C8 | C9 | O8 | 120.5° | 120.0° |
| C7 | C8 | C9 | H8 | 118.9° | 120.0° |
| C7 | C8 | C9 | O9 | 61.9° | 175.0° |
| C7 | C8 | O8 | H8 | 119.5° | 120.0° |
| C8 | C7 | C6 | H6 | 53.2° | 65.0° |
| C7 | C8 | C9 | H92 | 178.2° | 55.0° |
| C7 | C8 | C9 | H91 | 57.9° | 65.0° |
| C8 | C7 | O7 | HO7 | 62.5° | 60.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| N08 | C07 | N06 | H061 | 0.0° | 180.0° |
| N08 | C07 | N09 | H1 | 0.0° | 180.0° |
| N08 | C07 | N09 | H091 | 180.0° | 0.1° |
| C8 | C9 | O9 | H92 | 119.9° | 120.0° |
| C8 | C9 | O9 | H91 | 119.9° | 120.0° |
| C9 | C8 | O8 | H8 | 119.4° | 120.1° |
| C9 | C8 | C7 | H7 | 61.8° | 60.0° |
| C8 | C9 | H92 | H91 | 120.4° | 120.1° |
| C9 | C8 | O8 | HO8 | 59.0° | 59.9° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| O9 | C9 | C8 | O8 | 58.6° | 65.0° |
| O9 | C9 | C8 | H8 | 179.2° | 55.0° |
| O9 | C9 | H92 | H91 | 120.4° | 120.0° |
| O8 | C8 | C7 | H7 | 58.5° | 60.0° |
| O8 | C8 | C9 | H92 | 61.3° | 175.0° |
| O8 | C8 | C9 | H91 | 178.4° | 55.0° |
| N09 | C07 | N06 | H061 | 179.6° | 0.0° |
| N09 | C07 | N08 | H081 | 0.0° | 0.1° |
| C07 | N09 | H1 | H091 | 180.0° | 179.9° |
| C10 | N5 | C5 | H5 | 16.5° | 35.2° |
| N5 | C10 | C11 | H111 | 179.7° | 60.0° |
| N5 | C10 | C11 | H113 | 60.3° | 180.0° |
| N5 | C10 | C11 | H112 | 59.7° | 60.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C11 | C10 | N5 | HN5 | 0.9° | 0.1° |
| H031 | C2 | C3 | H32 | 173.4° | 177.7° |
| H031 | C2 | C3 | H31 | 53.5° | 57.5° |
| H32 | C3 | C4 | H4 | 167.6° | 177.2° |
| H31 | C3 | C4 | H4 | 47.7° | 57.0° |
| H4 | C4 | C5 | H5 | 168.9° | 177.1° |
| H4 | C4 | N06 | H061 | 153.5° | 144.7° |
| H5 | C5 | C6 | H6 | 177.1° | 177.6° |
| H5 | C5 | N5 | HN5 | 163.5° | 144.9° |
| H111 | C11 | H113 | H112 | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 68.0° | 55.0° |
| H7 | C7 | C8 | H8 | 179.3° | 180.0° |
| H7 | C7 | O7 | HO7 | 58.2° | 179.9° |
| H8 | C8 | C9 | H92 | 59.3° | 64.9° |
| H8 | C8 | C9 | H91 | 61.0° | 175.0° |
| H8 | C8 | O8 | HO8 | 60.5° | 180.0° |
| H92 | C9 | O9 | HO9 | 60.1° | 60.0° |
| H91 | C9 | O9 | HO9 | 60.1° | 60.0° |
