FG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C27 | sing | 1.34Å | 1.26Å | |
| O30 | H30 | sing | 0.98Å | 0.95Å | |
| C27 | O28 | doub | 1.21Å | 1.25Å | |
| C27 | C26 | sing | 1.52Å | 1.34Å | |
| C26 | O29 | doub | 1.22Å | 1.22Å | |
| C26 | N25 | sing | 1.39Å | 1.34Å | |
| N25 | C22 | sing | 1.40Å | 1.37Å | |
| N25 | H25 | sing | 1.03Å | 1.02Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.10Å | 1.11Å | |
| C18 | H182 | sing | 1.10Å | 1.11Å | |
| C17 | N16 | sing | 1.44Å | 1.45Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| N16 | C12 | sing | 1.39Å | 1.34Å | |
| N16 | H16 | sing | 1.02Å | 1.02Å | |
| C12 | O13 | doub | 1.23Å | 1.24Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | N10 | sing | 1.44Å | 1.45Å | |
| C11 | C14 | sing | 1.52Å | 1.52Å | |
| C11 | H11 | sing | 1.10Å | 1.11Å | |
| N10 | C8 | sing | 1.39Å | 1.34Å | |
| N10 | H10 | sing | 1.02Å | 1.02Å | |
| C8 | O9 | doub | 1.23Å | 1.23Å | |
| C8 | C7 | sing | 1.52Å | 1.53Å | |
| C7 | C6 | sing | 1.52Å | 1.53Å | |
| C7 | H71 | sing | 1.10Å | 1.11Å | |
| C7 | H72 | sing | 1.10Å | 1.12Å | |
| C6 | N5 | sing | 1.44Å | 1.47Å | |
| C6 | H61 | sing | 1.10Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| N5 | C3 | sing | 1.39Å | 1.35Å | |
| N5 | HN5 | sing | 1.02Å | 1.02Å | |
| C3 | O4 | doub | 1.23Å | 1.24Å | |
| C3 | C2 | sing | 1.50Å | 1.51Å | |
| C2 | BR1 | sing | 1.94Å | 77.14Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C14 | O15 | sing | 1.42Å | 1.43Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.10Å | 1.12Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O30 | H30 | 120.8° | 112.3° |
| O30 | C27 | O28 | 120.8° | 126.6° |
| O30 | C27 | C26 | 120.8° | 110.2° |
| O28 | C27 | C26 | 118.4° | 123.2° |
| C27 | C26 | O29 | 120.7° | 118.3° |
| C27 | C26 | N25 | 116.1° | 112.4° |
| O29 | C26 | N25 | 123.1° | 129.3° |
| C26 | N25 | C22 | 126.5° | 127.9° |
| C26 | N25 | H25 | 115.6° | 116.1° |
| C22 | N25 | H25 | 117.9° | 116.0° |
| N25 | C22 | C23 | 118.1° | 120.0° |
| N25 | C22 | C21 | 123.4° | 120.0° |
| C23 | C22 | C21 | 118.5° | 120.0° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C22 | C23 | H23 | 119.5° | 120.7° |
| C22 | C21 | C20 | 120.4° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.6° |
| C24 | C23 | H23 | 119.3° | 119.3° |
| C23 | C24 | C19 | 120.1° | 119.3° |
| C23 | C24 | H24 | 120.1° | 119.5° |
| C19 | C24 | H24 | 119.8° | 121.2° |
| C24 | C19 | C20 | 119.4° | 121.3° |
| C24 | C19 | C18 | 120.3° | 119.3° |
| C20 | C19 | C18 | 120.3° | 119.4° |
| C19 | C20 | C21 | 120.5° | 119.3° |
| C19 | C20 | H20 | 119.6° | 121.1° |
| C19 | C18 | C17 | 109.7° | 112.9° |
| C19 | C18 | H181 | 112.1° | 108.4° |
| C19 | C18 | H182 | 112.2° | 109.7° |
| C21 | C20 | H20 | 120.0° | 119.5° |
| C20 | C21 | H21 | 119.8° | 119.4° |
| C17 | C18 | H181 | 112.1° | 109.3° |
| C17 | C18 | H182 | 112.1° | 110.2° |
| C18 | C17 | N16 | 112.8° | 112.6° |
| C18 | C17 | H171 | 111.0° | 109.9° |
| C18 | C17 | H172 | 111.0° | 111.6° |
| H181 | C18 | H182 | 98.3° | 106.0° |
| N16 | C17 | H171 | 111.0° | 106.8° |
| N16 | C17 | H172 | 111.0° | 107.6° |
| C17 | N16 | C12 | 122.4° | 122.8° |
| C17 | N16 | H16 | 122.8° | 117.7° |
| H171 | C17 | H172 | 99.3° | 108.2° |
| C12 | N16 | H16 | 114.8° | 119.4° |
| N16 | C12 | O13 | 123.9° | 124.8° |
| N16 | C12 | C11 | 115.4° | 112.1° |
| O13 | C12 | C11 | 120.6° | 123.0° |
| C12 | C11 | N10 | 110.4° | 108.2° |
| C12 | C11 | C14 | 111.0° | 112.0° |
| C12 | C11 | H11 | 108.3° | 108.8° |
| N10 | C11 | C14 | 110.7° | 111.7° |
| N10 | C11 | H11 | 108.5° | 106.3° |
| C11 | N10 | C8 | 122.5° | 123.0° |
| C11 | N10 | H10 | 122.8° | 118.5° |
| C14 | C11 | H11 | 107.9° | 109.6° |
| C11 | C14 | O15 | 108.9° | 110.3° |
| C11 | C14 | H141 | 112.4° | 111.1° |
| C11 | C14 | H142 | 112.5° | 110.6° |
| C8 | N10 | H10 | 114.7° | 118.4° |
| N10 | C8 | O9 | 121.9° | 125.0° |
| N10 | C8 | C7 | 115.5° | 111.8° |
| O9 | C8 | C7 | 122.6° | 123.2° |
| C8 | C7 | C6 | 114.9° | 112.5° |
| C8 | C7 | H71 | 110.2° | 108.4° |
| C8 | C7 | H72 | 110.2° | 108.3° |
| C6 | C7 | H71 | 110.2° | 110.0° |
| C6 | C7 | H72 | 110.2° | 110.0° |
| C7 | C6 | N5 | 107.7° | 109.8° |
| C7 | C6 | H61 | 112.9° | 110.6° |
| C7 | C6 | H62 | 112.9° | 110.6° |
| H71 | C7 | H72 | 100.0° | 107.4° |
| N5 | C6 | H61 | 112.9° | 109.2° |
| N5 | C6 | H62 | 112.9° | 109.3° |
| C6 | N5 | C3 | 130.8° | 122.7° |
| C6 | N5 | HN5 | 120.0° | 117.7° |
| H61 | C6 | H62 | 97.6° | 107.3° |
| C3 | N5 | HN5 | 109.2° | 119.5° |
| N5 | C3 | O4 | 125.5° | 125.2° |
| N5 | C3 | C2 | 113.6° | 112.9° |
| O4 | C3 | C2 | 120.9° | 121.9° |
| C3 | C2 | BR1 | 151.5° | 106.6° |
| C3 | C2 | H21A | 98.3° | 113.3° |
| C3 | C2 | H22 | 98.3° | 110.4° |
| BR1 | C2 | H21A | 98.3° | 107.9° |
| BR1 | C2 | H22 | 98.3° | 108.3° |
| H21A | C2 | H22 | 107.8° | 110.1° |
| O15 | C14 | H141 | 112.4° | 108.0° |
| O15 | C14 | H142 | 112.4° | 108.1° |
| C14 | O15 | H15 | 108.9° | 106.7° |
| H141 | C14 | H142 | 98.0° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C27 | O28 | C26 | 179.7° | 179.9° |
| O30 | C27 | C26 | O29 | 1.0° | 0.0° |
| O30 | C27 | C26 | N25 | 179.9° | 180.0° |
| H30 | O30 | C27 | O28 | 180.0° | 0.0° |
| H30 | O30 | C27 | C26 | 0.3° | 180.0° |
| O28 | C27 | C26 | O29 | 179.3° | 179.9° |
| O28 | C27 | C26 | N25 | 0.4° | 0.1° |
| C27 | C26 | O29 | N25 | 178.8° | 180.0° |
| C27 | C26 | N25 | C22 | 167.1° | 180.0° |
| C27 | C26 | N25 | H25 | 12.9° | 0.0° |
| O29 | C26 | N25 | C22 | 14.0° | 0.0° |
| O29 | C26 | N25 | H25 | 166.0° | 180.0° |
| C26 | N25 | C22 | H25 | 180.0° | 180.0° |
| C26 | N25 | C22 | C23 | 179.4° | 0.0° |
| C26 | N25 | C22 | C21 | 0.2° | 180.0° |
| N25 | C22 | C23 | C21 | 179.3° | 180.0° |
| N25 | C22 | C23 | C24 | 179.5° | 180.0° |
| N25 | C22 | C23 | H23 | 0.6° | 0.1° |
| N25 | C22 | C21 | C20 | 179.7° | 180.0° |
| N25 | C22 | C21 | H21 | 0.4° | 0.0° |
| H25 | N25 | C22 | C23 | 0.6° | 180.0° |
| H25 | N25 | C22 | C21 | 179.8° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.3° | 0.0° |
| C22 | C23 | C24 | H24 | 179.7° | 180.0° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C23 | C22 | C21 | H21 | 179.6° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 179.8° | 180.0° |
| C23 | C24 | C19 | H24 | 180.0° | 180.0° |
| C23 | C24 | C19 | C20 | 0.5° | 0.0° |
| C23 | C24 | C19 | C18 | 179.7° | 180.0° |
| H23 | C23 | C24 | C19 | 179.7° | 179.9° |
| H23 | C23 | C24 | H24 | 0.3° | 0.0° |
| C24 | C19 | C20 | C18 | 179.8° | 180.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.0° |
| C24 | C19 | C20 | H20 | 179.7° | 180.0° |
| C24 | C19 | C18 | C17 | 84.1° | 90.0° |
| C24 | C19 | C18 | H181 | 41.1° | 148.7° |
| C24 | C19 | C18 | H182 | 150.6° | 33.4° |
| H24 | C24 | C19 | C20 | 179.5° | 180.0° |
| H24 | C24 | C19 | C18 | 0.3° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| C20 | C19 | C18 | C17 | 96.1° | 90.0° |
| C20 | C19 | C18 | H181 | 138.7° | 31.3° |
| C20 | C19 | C18 | H182 | 29.2° | 146.7° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 0.1° | 0.0° |
| C19 | C18 | C17 | H181 | 125.3° | 120.8° |
| C19 | C18 | C17 | H182 | 125.3° | 123.1° |
| C19 | C18 | H181 | H182 | 118.1° | 117.7° |
| C19 | C18 | C17 | N16 | 172.6° | 61.2° |
| C19 | C18 | C17 | H171 | 62.1° | 180.0° |
| C19 | C18 | C17 | H172 | 47.3° | 60.0° |
| H20 | C20 | C21 | H21 | 0.2° | 0.0° |
| C17 | C18 | H181 | H182 | 118.0° | 118.7° |
| C18 | C17 | N16 | H171 | 125.3° | 120.7° |
| C18 | C17 | N16 | H172 | 125.3° | 123.4° |
| C18 | C17 | H171 | H172 | 116.9° | 122.1° |
| C18 | C17 | N16 | C12 | 108.9° | 90.0° |
| C18 | C17 | N16 | H16 | 71.1° | 87.9° |
| H181 | C18 | C17 | N16 | 47.3° | 178.0° |
| H181 | C18 | C17 | H171 | 172.6° | 59.2° |
| H181 | C18 | C17 | H172 | 78.0° | 60.8° |
| H182 | C18 | C17 | N16 | 62.2° | 61.9° |
| H182 | C18 | C17 | H171 | 63.1° | 56.9° |
| H182 | C18 | C17 | H172 | 172.6° | 176.9° |
| N16 | C17 | H171 | H172 | 116.9° | 115.6° |
| C17 | N16 | C12 | H16 | 180.0° | 177.8° |
| C17 | N16 | C12 | O13 | 19.3° | 0.0° |
| C17 | N16 | C12 | C11 | 162.2° | 178.0° |
| H171 | C17 | N16 | C12 | 16.3° | 30.7° |
| H171 | C17 | N16 | H16 | 163.6° | 151.4° |
| H172 | C17 | N16 | C12 | 125.8° | 146.6° |
| H172 | C17 | N16 | H16 | 54.2° | 35.5° |
| N16 | C12 | O13 | C11 | 178.5° | 177.8° |
| N16 | C12 | C11 | N10 | 19.8° | 143.2° |
| N16 | C12 | C11 | C14 | 142.9° | 93.2° |
| N16 | C12 | C11 | H11 | 98.9° | 28.1° |
| H16 | N16 | C12 | O13 | 160.7° | 177.8° |
| H16 | N16 | C12 | C11 | 17.8° | 0.2° |
| O13 | C12 | C11 | N10 | 161.6° | 34.8° |
| O13 | C12 | C11 | C14 | 38.5° | 88.7° |
| O13 | C12 | C11 | H11 | 79.7° | 150.0° |
| C12 | C11 | N10 | C14 | 123.3° | 123.7° |
| C12 | C11 | N10 | H11 | 118.5° | 116.8° |
| C12 | C11 | C14 | H11 | 118.5° | 120.8° |
| C12 | C11 | N10 | C8 | 103.0° | 146.8° |
| C12 | C11 | N10 | H10 | 77.0° | 33.3° |
| C12 | C11 | C14 | O15 | 138.2° | 60.3° |
| C12 | C11 | C14 | H141 | 13.0° | 180.0° |
| C12 | C11 | C14 | H142 | 96.5° | 59.3° |
| N10 | C11 | C14 | H11 | 118.6° | 117.6° |
| C11 | N10 | C8 | H10 | 180.0° | 179.9° |
| C11 | N10 | C8 | O9 | 94.8° | 0.1° |
| C11 | N10 | C8 | C7 | 85.5° | 179.9° |
| N10 | C11 | C14 | O15 | 98.9° | 61.3° |
| N10 | C11 | C14 | H141 | 135.9° | 58.5° |
| N10 | C11 | C14 | H142 | 26.4° | 179.2° |
| C14 | C11 | N10 | C8 | 133.8° | 89.5° |
| C14 | C11 | N10 | H10 | 46.2° | 90.5° |
| C11 | C14 | O15 | H141 | 125.3° | 121.6° |
| C11 | C14 | O15 | H142 | 125.3° | 121.0° |
| C11 | C14 | H141 | H142 | 118.4° | 121.9° |
| C11 | C14 | O15 | H15 | 180.0° | 43.2° |
| H11 | C11 | N10 | C8 | 15.5° | 30.1° |
| H11 | C11 | N10 | H10 | 164.5° | 150.0° |
| H11 | C11 | C14 | O15 | 19.7° | 178.9° |
| H11 | C11 | C14 | H141 | 105.5° | 59.1° |
| H11 | C11 | C14 | H142 | 145.0° | 61.6° |
| N10 | C8 | O9 | C7 | 179.7° | 179.8° |
| N10 | C8 | C7 | C6 | 162.7° | 150.0° |
| N10 | C8 | C7 | H71 | 72.0° | 28.1° |
| N10 | C8 | C7 | H72 | 37.4° | 88.1° |
| H10 | N10 | C8 | O9 | 85.2° | 180.0° |
| H10 | N10 | C8 | C7 | 94.5° | 0.2° |
| O9 | C8 | C7 | C6 | 17.1° | 29.9° |
| O9 | C8 | C7 | H71 | 108.2° | 151.8° |
| O9 | C8 | C7 | H72 | 142.3° | 92.0° |
| C8 | C7 | C6 | H71 | 125.2° | 121.0° |
| C8 | C7 | C6 | H72 | 125.3° | 120.9° |
| C8 | C7 | H71 | H72 | 116.1° | 116.9° |
| C8 | C7 | C6 | N5 | 78.7° | 60.6° |
| C8 | C7 | C6 | H61 | 156.0° | 60.0° |
| C8 | C7 | C6 | H62 | 46.5° | 178.6° |
| C6 | C7 | H71 | H72 | 116.0° | 119.7° |
| C7 | C6 | N5 | H61 | 125.3° | 121.4° |
| C7 | C6 | N5 | H62 | 125.3° | 121.5° |
| C7 | C6 | H61 | H62 | 118.8° | 120.7° |
| C7 | C6 | N5 | C3 | 55.0° | 90.0° |
| C7 | C6 | N5 | HN5 | 125.0° | 87.3° |
| H71 | C7 | C6 | N5 | 46.5° | 60.3° |
| H71 | C7 | C6 | H61 | 78.8° | 179.1° |
| H71 | C7 | C6 | H62 | 171.8° | 60.4° |
| H72 | C7 | C6 | N5 | 156.0° | 178.5° |
| H72 | C7 | C6 | H61 | 30.7° | 60.9° |
| H72 | C7 | C6 | H62 | 78.8° | 57.7° |
| N5 | C6 | H61 | H62 | 118.8° | 118.4° |
| C6 | N5 | C3 | HN5 | 180.0° | 177.2° |
| C6 | N5 | C3 | O4 | 0.0° | 0.0° |
| C6 | N5 | C3 | C2 | 179.8° | 179.2° |
| H61 | C6 | N5 | C3 | 70.3° | 148.6° |
| H61 | C6 | N5 | HN5 | 109.7° | 34.1° |
| H62 | C6 | N5 | C3 | 179.7° | 31.5° |
| H62 | C6 | N5 | HN5 | 0.3° | 151.3° |
| N5 | C3 | O4 | C2 | 179.7° | 179.2° |
| N5 | C3 | C2 | BR1 | 161.6° | 118.5° |
| N5 | C3 | C2 | H21A | 73.2° | 0.0° |
| N5 | C3 | C2 | H22 | 36.3° | 124.1° |
| HN5 | N5 | C3 | O4 | 180.0° | 177.2° |
| HN5 | N5 | C3 | C2 | 0.2° | 2.0° |
| O4 | C3 | C2 | BR1 | 18.2° | 60.8° |
| O4 | C3 | C2 | H21A | 107.1° | 179.3° |
| O4 | C3 | C2 | H22 | 143.5° | 56.7° |
| C3 | C2 | BR1 | H21A | 125.3° | 122.0° |
| C3 | C2 | BR1 | H22 | 125.3° | 118.8° |
| C3 | C2 | H21A | H22 | 101.6° | 124.2° |
| BR1 | C2 | H21A | H22 | 101.6° | 118.1° |
| O15 | C14 | H141 | H142 | 118.3° | 117.1° |
| H141 | C14 | O15 | H15 | 54.7° | 78.4° |
| H142 | C14 | O15 | H15 | 54.7° | 164.2° |
