EG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | O1 | doub | 1.42Å | 1.42Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | N1 | sing | 1.66Å | 1.45Å | |
| S | C4 | sing | 1.76Å | 1.63Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | doub | 1.40Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.43Å | |
| 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 | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.29Å | |
| N2 | C8 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | O4 | sing | 1.43Å | 1.46Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| O4 | C10 | sing | 1.43Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O5 | sing | 1.43Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| O5 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.44Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | N3 | sing | 1.46Å | 1.45Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| N3 | C14 | sing | 1.35Å | 1.45Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C14 | O6 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.56Å | |
| C15 | N4 | sing | 1.47Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| N4 | HN41 | sing | 1.01Å | 1.02Å | |
| N4 | HN42 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S | O2 | 111.7° | 125.4° |
| O1 | S | N1 | 109.5° | 105.8° |
| O1 | S | C4 | 112.8° | 105.7° |
| O2 | S | N1 | 115.7° | 105.8° |
| O2 | S | C4 | 102.9° | 105.8° |
| N1 | S | C4 | 103.8° | 107.4° |
| S | N1 | HN11 | 109.5° | 120.1° |
| S | N1 | HN12 | 112.2° | 120.0° |
| S | C4 | C3 | 120.0° | 119.8° |
| S | C4 | C5 | 122.9° | 119.9° |
| HN11 | N1 | HN12 | 112.2° | 119.9° |
| C2 | C1 | C6 | 121.1° | 119.7° |
| C2 | C1 | C7 | 121.0° | 120.1° |
| C1 | C2 | C3 | 118.8° | 119.8° |
| C1 | C2 | H2 | 121.7° | 120.1° |
| C6 | C1 | C7 | 117.8° | 120.2° |
| C1 | C6 | C5 | 118.6° | 119.9° |
| C1 | C6 | H6 | 119.9° | 120.1° |
| C1 | C7 | O3 | 125.5° | 120.0° |
| C1 | C7 | N2 | 116.9° | 120.0° |
| C3 | C2 | H2 | 119.5° | 120.1° |
| C2 | C3 | C4 | 121.2° | 120.1° |
| C2 | C3 | H3 | 119.1° | 119.9° |
| C4 | C3 | H3 | 119.7° | 119.9° |
| C3 | C4 | C5 | 116.6° | 120.3° |
| C4 | C5 | C6 | 123.5° | 120.1° |
| C4 | C5 | H5 | 119.1° | 119.9° |
| C6 | C5 | H5 | 117.3° | 119.9° |
| C5 | C6 | H6 | 121.5° | 120.0° |
| O3 | C7 | N2 | 117.6° | 120.0° |
| C7 | N2 | C8 | 125.2° | 120.0° |
| C7 | N2 | HN2 | 110.1° | 120.0° |
| C8 | N2 | HN2 | 124.6° | 120.0° |
| N2 | C8 | C9 | 116.5° | 109.5° |
| N2 | C8 | H81 | 109.7° | 109.5° |
| N2 | C8 | H82 | 109.6° | 109.4° |
| C9 | C8 | H81 | 109.6° | 109.5° |
| C9 | C8 | H82 | 109.7° | 109.4° |
| C8 | C9 | O4 | 108.6° | 109.5° |
| C8 | C9 | H91 | 112.5° | 109.4° |
| C8 | C9 | H92 | 112.5° | 109.5° |
| H81 | C8 | H82 | 100.5° | 109.5° |
| O4 | C9 | H91 | 112.5° | 109.5° |
| O4 | C9 | H92 | 112.6° | 109.4° |
| C9 | O4 | C10 | 109.0° | 106.8° |
| H91 | C9 | H92 | 97.9° | 109.5° |
| O4 | C10 | C11 | 108.2° | 109.5° |
| O4 | C10 | H101 | 112.6° | 109.5° |
| O4 | C10 | H102 | 112.7° | 109.5° |
| C11 | C10 | H101 | 112.7° | 109.4° |
| C11 | C10 | H102 | 112.7° | 109.4° |
| C10 | C11 | O5 | 111.4° | 109.4° |
| C10 | C11 | H111 | 111.5° | 109.4° |
| C10 | C11 | H112 | 111.5° | 109.5° |
| H101 | C10 | H102 | 97.8° | 109.5° |
| O5 | C11 | H111 | 111.5° | 109.5° |
| O5 | C11 | H112 | 111.5° | 109.5° |
| C11 | O5 | C12 | 106.9° | 106.8° |
| H111 | C11 | H112 | 98.9° | 109.5° |
| O5 | C12 | C13 | 110.7° | 109.5° |
| O5 | C12 | H121 | 111.8° | 109.5° |
| O5 | C12 | H122 | 111.8° | 109.5° |
| C13 | C12 | H121 | 111.7° | 109.5° |
| C13 | C12 | H122 | 111.7° | 109.4° |
| C12 | C13 | N3 | 109.2° | 109.4° |
| C12 | C13 | H131 | 112.3° | 109.4° |
| C12 | C13 | H132 | 112.3° | 109.4° |
| H121 | C12 | H122 | 98.7° | 109.5° |
| N3 | C13 | H131 | 112.3° | 109.5° |
| N3 | C13 | H132 | 112.3° | 109.5° |
| C13 | N3 | C14 | 110.7° | 120.0° |
| C13 | N3 | HN3 | 124.6° | 120.0° |
| H131 | C13 | H132 | 98.1° | 109.5° |
| C14 | N3 | HN3 | 124.7° | 120.0° |
| N3 | C14 | O6 | 119.4° | 119.9° |
| N3 | C14 | C15 | 117.4° | 120.0° |
| O6 | C14 | C15 | 123.1° | 120.0° |
| C14 | C15 | N4 | 105.4° | 109.5° |
| C14 | C15 | H151 | 113.7° | 109.4° |
| C14 | C15 | H152 | 113.7° | 109.5° |
| N4 | C15 | H151 | 113.8° | 109.5° |
| N4 | C15 | H152 | 113.7° | 109.5° |
| C15 | N4 | HN41 | 105.4° | 106.7° |
| C15 | N4 | HN42 | 113.7° | 106.8° |
| H151 | C15 | H152 | 96.8° | 109.5° |
| HN41 | N4 | HN42 | 113.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S | O2 | N1 | 126.3° | 123.2° |
| O1 | S | O2 | C4 | 121.3° | 123.1° |
| O1 | S | N1 | C4 | 120.7° | 112.6° |
| O1 | S | N1 | HN11 | 180.0° | 67.4° |
| O1 | S | N1 | HN12 | 54.7° | 112.5° |
| O1 | S | C4 | C3 | 81.7° | 157.5° |
| O1 | S | C4 | C5 | 106.4° | 22.6° |
| O2 | S | N1 | C4 | 111.9° | 112.6° |
| O2 | S | N1 | HN11 | 52.6° | 67.5° |
| O2 | S | N1 | HN12 | 72.7° | 112.6° |
| O2 | S | C4 | C3 | 157.7° | 22.7° |
| O2 | S | C4 | C5 | 14.2° | 157.4° |
| S | N1 | HN11 | HN12 | 125.3° | 179.9° |
| N1 | S | C4 | C3 | 36.8° | 89.9° |
| N1 | S | C4 | C5 | 135.1° | 90.0° |
| C4 | S | N1 | HN11 | 59.3° | 179.9° |
| C4 | S | N1 | HN12 | 175.4° | 0.0° |
| S | C4 | C3 | C2 | 177.7° | 180.0° |
| S | C4 | C3 | C5 | 172.4° | 179.9° |
| S | C4 | C3 | H3 | 2.2° | 0.1° |
| S | C4 | C5 | C6 | 177.0° | 179.7° |
| S | C4 | C5 | H5 | 3.0° | 0.1° |
| C2 | C1 | C6 | C7 | 178.4° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.7° | 0.1° |
| C1 | C2 | C3 | H3 | 176.3° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.6° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C2 | C1 | C7 | O3 | 179.7° | 0.0° |
| C2 | C1 | C7 | N2 | 0.4° | 180.0° |
| C6 | C1 | C2 | C3 | 1.3° | 0.2° |
| C6 | C1 | C2 | H2 | 178.8° | 179.8° |
| C1 | C6 | C5 | C4 | 2.6° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | C6 | C5 | H5 | 177.4° | 179.7° |
| C6 | C1 | C7 | O3 | 1.3° | 179.7° |
| C6 | C1 | C7 | N2 | 178.1° | 0.3° |
| C7 | C1 | C2 | C3 | 179.7° | 180.0° |
| C7 | C1 | C2 | H2 | 0.4° | 0.0° |
| C7 | C1 | C6 | C5 | 179.1° | 179.7° |
| C7 | C1 | C6 | H6 | 0.9° | 0.3° |
| C1 | C7 | O3 | N2 | 179.3° | 180.0° |
| C1 | C7 | N2 | C8 | 178.0° | 180.0° |
| C1 | C7 | N2 | HN2 | 2.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 5.3° | 0.1° |
| H2 | C2 | C3 | C4 | 176.3° | 179.9° |
| H2 | C2 | C3 | H3 | 3.7° | 0.0° |
| C3 | C4 | C5 | C6 | 4.8° | 0.2° |
| C3 | C4 | C5 | H5 | 175.1° | 180.0° |
| H3 | C3 | C4 | C5 | 174.6° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 177.5° | 180.0° |
| H5 | C5 | C6 | H6 | 2.6° | 0.2° |
| O3 | C7 | N2 | C8 | 2.7° | 0.0° |
| O3 | C7 | N2 | HN2 | 177.3° | 180.0° |
| C7 | N2 | C8 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C8 | C9 | 69.2° | 180.0° |
| C7 | N2 | C8 | H81 | 165.5° | 60.0° |
| C7 | N2 | C8 | H82 | 56.1° | 60.0° |
| N2 | C8 | C9 | H81 | 125.3° | 120.1° |
| N2 | C8 | C9 | H82 | 125.3° | 119.9° |
| N2 | C8 | H81 | H82 | 115.4° | 119.9° |
| N2 | C8 | C9 | O4 | 69.8° | 60.0° |
| N2 | C8 | C9 | H91 | 164.9° | 60.0° |
| N2 | C8 | C9 | H92 | 55.4° | 180.0° |
| HN2 | N2 | C8 | C9 | 110.8° | 0.1° |
| HN2 | N2 | C8 | H81 | 14.4° | 120.0° |
| HN2 | N2 | C8 | H82 | 123.9° | 120.0° |
| C9 | C8 | H81 | H82 | 115.4° | 120.0° |
| C8 | C9 | O4 | H91 | 125.2° | 120.0° |
| C8 | C9 | O4 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 118.5° | 120.0° |
| C8 | C9 | O4 | C10 | 144.8° | 179.9° |
| H81 | C8 | C9 | O4 | 55.5° | 179.9° |
| H81 | C8 | C9 | H91 | 69.8° | 60.0° |
| H81 | C8 | C9 | H92 | 179.3° | 60.0° |
| H82 | C8 | C9 | O4 | 164.9° | 59.9° |
| H82 | C8 | C9 | H91 | 39.7° | 179.9° |
| H82 | C8 | C9 | H92 | 69.8° | 60.0° |
| O4 | C9 | H91 | H92 | 118.5° | 120.0° |
| C9 | O4 | C10 | C11 | 81.7° | 180.0° |
| C9 | O4 | C10 | H101 | 43.5° | 60.0° |
| C9 | O4 | C10 | H102 | 153.0° | 60.1° |
| H91 | C9 | O4 | C10 | 90.0° | 59.9° |
| H92 | C9 | O4 | C10 | 19.6° | 60.0° |
| O4 | C10 | C11 | H101 | 125.2° | 120.0° |
| O4 | C10 | C11 | H102 | 125.3° | 120.0° |
| O4 | C10 | H101 | H102 | 118.6° | 120.1° |
| O4 | C10 | C11 | O5 | 162.8° | 60.0° |
| O4 | C10 | C11 | H111 | 71.9° | 60.1° |
| O4 | C10 | C11 | H112 | 37.5° | 180.0° |
| C11 | C10 | H101 | H102 | 118.6° | 119.9° |
| C10 | C11 | O5 | H111 | 125.3° | 119.9° |
| C10 | C11 | O5 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 117.4° | 120.0° |
| C10 | C11 | O5 | C12 | 178.9° | 180.0° |
| H101 | C10 | C11 | O5 | 37.6° | 180.0° |
| H101 | C10 | C11 | H111 | 162.9° | 60.0° |
| H101 | C10 | C11 | H112 | 87.7° | 60.0° |
| H102 | C10 | C11 | O5 | 71.9° | 60.0° |
| H102 | C10 | C11 | H111 | 53.3° | 179.9° |
| H102 | C10 | C11 | H112 | 162.8° | 59.9° |
| O5 | C11 | H111 | H112 | 117.4° | 120.1° |
| C11 | O5 | C12 | C13 | 24.0° | 180.0° |
| C11 | O5 | C12 | H121 | 101.2° | 60.0° |
| C11 | O5 | C12 | H122 | 149.2° | 60.0° |
| H111 | C11 | O5 | C12 | 55.8° | 60.1° |
| H112 | C11 | O5 | C12 | 53.7° | 60.0° |
| O5 | C12 | C13 | H121 | 125.3° | 120.0° |
| O5 | C12 | C13 | H122 | 125.3° | 120.0° |
| O5 | C12 | H121 | H122 | 117.7° | 120.0° |
| O5 | C12 | C13 | N3 | 147.6° | 60.0° |
| O5 | C12 | C13 | H131 | 22.3° | 60.0° |
| O5 | C12 | C13 | H132 | 87.1° | 180.0° |
| C13 | C12 | H121 | H122 | 117.6° | 120.0° |
| C12 | C13 | N3 | H131 | 125.3° | 119.9° |
| C12 | C13 | N3 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 118.2° | 119.9° |
| C12 | C13 | N3 | C14 | 179.7° | 180.0° |
| C12 | C13 | N3 | HN3 | 0.2° | 0.0° |
| H121 | C12 | C13 | N3 | 87.1° | 180.0° |
| H121 | C12 | C13 | H131 | 147.6° | 60.0° |
| H121 | C12 | C13 | H132 | 38.2° | 60.0° |
| H122 | C12 | C13 | N3 | 22.3° | 60.0° |
| H122 | C12 | C13 | H131 | 103.0° | 180.0° |
| H122 | C12 | C13 | H132 | 147.6° | 60.0° |
| N3 | C13 | H131 | H132 | 118.2° | 120.1° |
| C13 | N3 | C14 | HN3 | 180.0° | 180.0° |
| C13 | N3 | C14 | O6 | 12.1° | 0.0° |
| C13 | N3 | C14 | C15 | 166.2° | 180.0° |
| H131 | C13 | N3 | C14 | 55.0° | 60.1° |
| H131 | C13 | N3 | HN3 | 125.0° | 120.0° |
| H132 | C13 | N3 | C14 | 54.4° | 60.0° |
| H132 | C13 | N3 | HN3 | 125.5° | 119.9° |
| N3 | C14 | O6 | C15 | 178.2° | 180.0° |
| N3 | C14 | C15 | N4 | 0.5° | 180.0° |
| N3 | C14 | C15 | H151 | 124.8° | 60.0° |
| N3 | C14 | C15 | H152 | 125.7° | 60.0° |
| HN3 | N3 | C14 | O6 | 168.0° | 179.9° |
| HN3 | N3 | C14 | C15 | 13.8° | 0.0° |
| O6 | C14 | C15 | N4 | 177.7° | 0.0° |
| O6 | C14 | C15 | H151 | 57.0° | 120.0° |
| O6 | C14 | C15 | H152 | 52.5° | 120.0° |
| C14 | C15 | N4 | H151 | 125.2° | 120.0° |
| C14 | C15 | N4 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 119.6° | 120.0° |
| C14 | C15 | N4 | HN41 | 180.0° | 180.0° |
| C14 | C15 | N4 | HN42 | 54.7° | 66.2° |
| N4 | C15 | H151 | H152 | 119.7° | 120.0° |
| C15 | N4 | HN41 | HN42 | 125.3° | 113.8° |
| H151 | C15 | N4 | HN41 | 54.8° | 60.0° |
| H151 | C15 | N4 | HN42 | 70.5° | 53.7° |
| H152 | C15 | N4 | HN41 | 54.7° | 60.0° |
| H152 | C15 | N4 | HN42 | 179.9° | 173.8° |
