EG2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O1 | doub | 1.42Å | 1.36Å | |
| S | O2 | doub | 1.42Å | 1.47Å | |
| S | N1 | sing | 1.66Å | 1.48Å | |
| S | C4 | sing | 1.76Å | 1.65Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.46Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O3 | doub | 1.22Å | 1.19Å | |
| C7 | N2 | sing | 1.35Å | 1.41Å | |
| N2 | C8 | sing | 1.47Å | 1.44Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C8 | C9 | sing | 1.53Å | 1.47Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | O4 | sing | 1.43Å | 1.45Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| O4 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | O5 | sing | 1.43Å | 1.46Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| O5 | C12 | sing | 1.43Å | 1.41Å | |
| C12 | C13 | sing | 1.53Å | 1.44Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | N3 | sing | 1.47Å | 1.45Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| N3 | HN31 | sing | 1.01Å | 1.02Å | |
| N3 | HN32 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O2 | 116.2° | 125.3° |
| O1 | S | N1 | 106.9° | 105.7° |
| O1 | S | C4 | 115.1° | 105.7° |
| O2 | S | N1 | 114.5° | 105.8° |
| O2 | S | C4 | 101.3° | 105.8° |
| N1 | S | C4 | 102.1° | 107.4° |
| S | N1 | HN11 | 106.9° | 120.0° |
| S | N1 | HN12 | 113.2° | 120.0° |
| S | C4 | C3 | 119.8° | 119.8° |
| S | C4 | C5 | 123.0° | 119.9° |
| HN11 | N1 | HN12 | 113.2° | 120.1° |
| C2 | C1 | C6 | 124.0° | 119.7° |
| C2 | C1 | C7 | 118.8° | 120.1° |
| C1 | C2 | C3 | 115.9° | 119.9° |
| C1 | C2 | H2 | 122.0° | 120.1° |
| C6 | C1 | C7 | 117.2° | 120.2° |
| C1 | C6 | C5 | 118.5° | 119.9° |
| C1 | C6 | H6 | 119.9° | 120.1° |
| C1 | C7 | O3 | 127.7° | 120.0° |
| C1 | C7 | N2 | 116.9° | 119.9° |
| C3 | C2 | H2 | 122.1° | 120.0° |
| C2 | C3 | C4 | 122.7° | 120.2° |
| C2 | C3 | H3 | 118.4° | 120.0° |
| C4 | C3 | H3 | 118.9° | 119.9° |
| C3 | C4 | C5 | 117.3° | 120.2° |
| C4 | C5 | C6 | 121.5° | 120.2° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C6 | C5 | H5 | 118.5° | 119.9° |
| C5 | C6 | H6 | 121.5° | 120.0° |
| O3 | C7 | N2 | 115.4° | 120.0° |
| C7 | N2 | C8 | 122.8° | 120.0° |
| C7 | N2 | HN2 | 117.7° | 120.1° |
| C8 | N2 | HN2 | 119.5° | 119.9° |
| N2 | C8 | C9 | 119.3° | 109.5° |
| N2 | C8 | H81 | 108.7° | 109.5° |
| N2 | C8 | H82 | 108.7° | 109.4° |
| C9 | C8 | H81 | 108.7° | 109.6° |
| C9 | C8 | H82 | 108.7° | 109.5° |
| C8 | C9 | O4 | 112.0° | 109.5° |
| C8 | C9 | H91 | 111.2° | 109.4° |
| C8 | C9 | H92 | 111.2° | 109.5° |
| H81 | C8 | H82 | 101.3° | 109.4° |
| O4 | C9 | H91 | 111.3° | 109.5° |
| O4 | C9 | H92 | 111.3° | 109.5° |
| C9 | O4 | C10 | 111.4° | 106.8° |
| H91 | C9 | H92 | 99.1° | 109.5° |
| O4 | C10 | C11 | 112.4° | 109.5° |
| O4 | C10 | H101 | 111.1° | 109.5° |
| O4 | C10 | H102 | 111.1° | 109.5° |
| C11 | C10 | H101 | 111.1° | 109.5° |
| C11 | C10 | H102 | 111.2° | 109.4° |
| C10 | C11 | O5 | 108.4° | 109.5° |
| C10 | C11 | H111 | 112.6° | 109.4° |
| C10 | C11 | H112 | 112.6° | 109.5° |
| H101 | C10 | H102 | 99.2° | 109.4° |
| O5 | C11 | H111 | 112.6° | 109.5° |
| O5 | C11 | H112 | 112.6° | 109.4° |
| C11 | O5 | C12 | 107.1° | 106.8° |
| H111 | C11 | H112 | 97.8° | 109.5° |
| O5 | C12 | C13 | 110.5° | 109.5° |
| O5 | C12 | H121 | 111.8° | 109.4° |
| O5 | C12 | H122 | 111.8° | 109.5° |
| C13 | C12 | H121 | 111.9° | 109.5° |
| C13 | C12 | H122 | 111.9° | 109.5° |
| C12 | C13 | N3 | 111.1° | 109.4° |
| C12 | C13 | H131 | 111.6° | 109.5° |
| C12 | C13 | H132 | 111.6° | 109.5° |
| H121 | C12 | H122 | 98.5° | 109.4° |
| N3 | C13 | H131 | 111.6° | 109.5° |
| N3 | C13 | H132 | 111.6° | 109.5° |
| C13 | N3 | HN31 | 111.1° | 106.7° |
| C13 | N3 | HN32 | 111.6° | 106.7° |
| H131 | C13 | H132 | 98.8° | 109.5° |
| HN31 | N3 | HN32 | 111.6° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O2 | N1 | 125.5° | 123.1° |
| O1 | S | O2 | C4 | 125.5° | 123.1° |
| O1 | S | N1 | C4 | 121.2° | 112.5° |
| O1 | S | N1 | HN11 | 180.0° | 67.4° |
| O1 | S | N1 | HN12 | 54.7° | 112.6° |
| O1 | S | C4 | C3 | 74.1° | 157.5° |
| O1 | S | C4 | C5 | 107.2° | 22.6° |
| O2 | S | N1 | C4 | 108.5° | 112.7° |
| O2 | S | N1 | HN11 | 49.8° | 67.3° |
| O2 | S | N1 | HN12 | 75.5° | 112.6° |
| O2 | S | C4 | C3 | 159.6° | 22.7° |
| O2 | S | C4 | C5 | 19.1° | 157.4° |
| S | N1 | HN11 | HN12 | 125.3° | 180.0° |
| N1 | S | C4 | C3 | 41.3° | 90.0° |
| N1 | S | C4 | C5 | 137.4° | 89.9° |
| C4 | S | N1 | HN11 | 58.7° | 180.0° |
| C4 | S | N1 | HN12 | 175.9° | 0.1° |
| S | C4 | C3 | C2 | 179.2° | 180.0° |
| S | C4 | C3 | C5 | 178.8° | 180.0° |
| S | C4 | C3 | H3 | 0.8° | 0.0° |
| S | C4 | C5 | C6 | 179.8° | 179.7° |
| S | C4 | C5 | H5 | 0.2° | 0.0° |
| C2 | C1 | C6 | C7 | 177.0° | 179.6° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 1.0° | 0.6° |
| C2 | C1 | C6 | H6 | 178.9° | 180.0° |
| C2 | C1 | C7 | O3 | 178.9° | 0.1° |
| C2 | C1 | C7 | N2 | 3.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.3° |
| C6 | C1 | C2 | H2 | 179.5° | 179.8° |
| C1 | C6 | C5 | C4 | NaN° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C6 | C5 | H5 | 180.0° | 179.7° |
| C6 | C1 | C7 | O3 | 1.7° | 179.7° |
| C6 | C1 | C7 | N2 | 179.5° | 0.3° |
| C7 | C1 | C2 | C3 | 177.5° | 180.0° |
| C7 | C1 | C2 | H2 | 2.5° | 0.1° |
| C7 | C1 | C6 | C5 | 178.1° | 179.7° |
| C7 | C1 | C6 | H6 | 1.9° | 0.3° |
| C1 | C7 | O3 | N2 | 177.8° | 180.0° |
| C1 | C7 | N2 | C8 | 179.4° | 179.9° |
| C1 | C7 | N2 | HN2 | 0.6° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.1° | 0.0° |
| H2 | C2 | C3 | C4 | 178.9° | 179.9° |
| H2 | C2 | C3 | H3 | 1.1° | 0.1° |
| C3 | C4 | C5 | C6 | 1.5° | 0.3° |
| C3 | C4 | C5 | H5 | 178.5° | 180.0° |
| H3 | C3 | C4 | C5 | 177.9° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.3° |
| O3 | C7 | N2 | C8 | 2.6° | 0.0° |
| O3 | C7 | N2 | HN2 | 177.5° | 180.0° |
| C7 | N2 | C8 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C8 | C9 | 74.2° | 180.0° |
| C7 | N2 | C8 | H81 | 160.5° | 59.8° |
| C7 | N2 | C8 | H82 | 51.1° | 60.0° |
| N2 | C8 | C9 | H81 | 125.3° | 120.1° |
| N2 | C8 | C9 | H82 | 125.3° | 119.9° |
| N2 | C8 | H81 | H82 | 114.3° | 119.8° |
| N2 | C8 | C9 | O4 | 57.1° | 59.9° |
| N2 | C8 | C9 | H91 | 177.7° | 60.1° |
| N2 | C8 | C9 | H92 | 68.2° | 180.0° |
| HN2 | N2 | C8 | C9 | 105.8° | 0.1° |
| HN2 | N2 | C8 | H81 | 19.5° | 120.1° |
| HN2 | N2 | C8 | H82 | 128.9° | 120.0° |
| C9 | C8 | H81 | H82 | 114.3° | 120.1° |
| C8 | C9 | O4 | H91 | 125.2° | 120.0° |
| C8 | C9 | O4 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 117.1° | 120.0° |
| C8 | C9 | O4 | C10 | 156.7° | 180.0° |
| H81 | C8 | C9 | O4 | 68.2° | 180.0° |
| H81 | C8 | C9 | H91 | 57.1° | 60.0° |
| H81 | C8 | C9 | H92 | 166.5° | 59.9° |
| H82 | C8 | C9 | O4 | 177.7° | 60.0° |
| H82 | C8 | C9 | H91 | 52.4° | 180.0° |
| H82 | C8 | C9 | H92 | 57.1° | 60.1° |
| O4 | C9 | H91 | H92 | 117.2° | 120.0° |
| C9 | O4 | C10 | C11 | 105.4° | 180.0° |
| C9 | O4 | C10 | H101 | 19.9° | 60.0° |
| C9 | O4 | C10 | H102 | 129.4° | 60.0° |
| H91 | C9 | O4 | C10 | 78.1° | 60.0° |
| H92 | C9 | O4 | C10 | 31.4° | 60.0° |
| O4 | C10 | C11 | H101 | 125.2° | 120.0° |
| O4 | C10 | C11 | H102 | 125.3° | 120.0° |
| O4 | C10 | H101 | H102 | 117.0° | 120.0° |
| O4 | C10 | C11 | O5 | 164.3° | 60.0° |
| O4 | C10 | C11 | H111 | 70.4° | 60.0° |
| O4 | C10 | C11 | H112 | 39.0° | 180.0° |
| C11 | C10 | H101 | H102 | 117.1° | 120.0° |
| C10 | C11 | O5 | H111 | 125.3° | 120.0° |
| C10 | C11 | O5 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 118.5° | 120.0° |
| C10 | C11 | O5 | C12 | 150.3° | 180.0° |
| H101 | C10 | C11 | O5 | 39.1° | 180.0° |
| H101 | C10 | C11 | H111 | 164.3° | 60.0° |
| H101 | C10 | C11 | H112 | 86.2° | 60.0° |
| H102 | C10 | C11 | O5 | 70.4° | 60.0° |
| H102 | C10 | C11 | H111 | 54.8° | NaN° |
| H102 | C10 | C11 | H112 | 164.3° | 60.0° |
| O5 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | O5 | C12 | C13 | 145.2° | 180.0° |
| C11 | O5 | C12 | H121 | 19.9° | 60.0° |
| C11 | O5 | C12 | H122 | 89.5° | 60.0° |
| H111 | C11 | O5 | C12 | 84.4° | 60.0° |
| H112 | C11 | O5 | C12 | 25.1° | 60.0° |
| O5 | C12 | C13 | H121 | 125.2° | 120.0° |
| O5 | C12 | C13 | H122 | 125.3° | 120.1° |
| O5 | C12 | H121 | H122 | 117.7° | 120.0° |
| O5 | C12 | C13 | N3 | 160.4° | 60.0° |
| O5 | C12 | C13 | H131 | 35.1° | 60.0° |
| O5 | C12 | C13 | H132 | 74.4° | 180.0° |
| C13 | C12 | H121 | H122 | 117.8° | 120.0° |
| C12 | C13 | N3 | H131 | 125.3° | 120.0° |
| C12 | C13 | N3 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 117.5° | 120.0° |
| C12 | C13 | N3 | HN31 | 180.0° | 180.0° |
| C12 | C13 | N3 | HN32 | 54.7° | 66.2° |
| H121 | C12 | C13 | N3 | 74.4° | 180.0° |
| H121 | C12 | C13 | H131 | 160.3° | 60.0° |
| H121 | C12 | C13 | H132 | 50.9° | 60.0° |
| H122 | C12 | C13 | N3 | 35.1° | 60.1° |
| H122 | C12 | C13 | H131 | 90.2° | 180.0° |
| H122 | C12 | C13 | H132 | 160.3° | 59.9° |
| N3 | C13 | H131 | H132 | 117.5° | 120.0° |
| C13 | N3 | HN31 | HN32 | 125.3° | 113.8° |
| H131 | C13 | N3 | HN31 | 54.7° | 60.0° |
| H131 | C13 | N3 | HN32 | 70.6° | 53.8° |
| H132 | C13 | N3 | HN31 | 54.8° | 60.0° |
| H132 | C13 | N3 | HN32 | 179.9° | 173.8° |
