A1EL6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.40Å | 1.43Å | Aromatic |
| C05 | C06 | doub | 1.35Å | 1.37Å | Aromatic |
| C04 | C03 | doub | 1.37Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | doub | 1.31Å | 1.33Å | |
| C03 | C02 | sing | 1.46Å | 1.51Å | |
| C03 | O07 | sing | 1.35Å | 1.36Å | Aromatic |
| C06 | O07 | sing | 1.34Å | 1.37Å | Aromatic |
| C02 | O08 | sing | 1.35Å | 1.36Å | |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| O08 | C09 | sing | 1.45Å | 1.45Å | |
| C09 | C10 | sing | 1.53Å | 1.64Å | |
| C09 | C15 | sing | 1.51Å | 1.58Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.37Å | |
| O17 | C18 | sing | 1.43Å | 1.42Å | |
| C16 | C19 | sing | 1.40Å | 1.45Å | Aromatic |
| C21 | O22 | sing | 1.36Å | 1.38Å | |
| C21 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| C19 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C19 | C28 | doub | 1.47Å | 1.44Å | Aromatic |
| O30 | N29 | doub | 1.22Å | 1.35Å | |
| C20 | C25 | doub | 1.41Å | 1.46Å | Aromatic |
| C28 | N29 | sing | 1.32Å | 1.44Å | |
| C28 | C27 | sing | 1.42Å | 1.39Å | Aromatic |
| C25 | N31 | sing | 1.37Å | 1.41Å | |
| C25 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| N31 | O32 | sing | 1.42Å | 1.37Å | |
| C27 | C26 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | HC13 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C26 | HC26 | sing | 1.08Å | 1.08Å | |
| C27 | HC27 | sing | 1.08Å | 1.08Å | |
| C04 | HC04 | sing | 1.08Å | 1.08Å | |
| C05 | HC05 | sing | 1.08Å | 1.08Å | |
| C06 | HC06 | sing | 1.08Å | 1.08Å | |
| C09 | HC09 | sing | 1.09Å | 1.10Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 104.7° | 107.2° |
| C05 | C04 | C03 | 107.8° | 106.7° |
| C05 | C04 | HC04 | 126.1° | 126.7° |
| C04 | C05 | HC05 | 127.7° | 126.5° |
| C05 | C06 | O07 | 111.1° | 108.7° |
| C06 | C05 | HC05 | 127.6° | 126.4° |
| C05 | C06 | HC06 | 124.4° | 125.7° |
| C04 | C03 | C02 | 126.8° | 125.9° |
| C04 | C03 | O07 | 108.7° | 108.0° |
| C03 | C04 | HC04 | 126.1° | 126.6° |
| O01 | C02 | C03 | 115.5° | 120.1° |
| O01 | C02 | O08 | 117.3° | 120.0° |
| C14 | C13 | C10 | 126.4° | 120.0° |
| C14 | C13 | HC13 | 116.8° | 120.0° |
| C13 | C14 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | 120.0° | 120.0° |
| C02 | C03 | O07 | 124.5° | 126.1° |
| C03 | C02 | O08 | 127.2° | 120.0° |
| C03 | O07 | C06 | 107.6° | 109.4° |
| O07 | C06 | HC06 | 124.4° | 125.6° |
| C02 | O08 | C09 | 121.0° | 117.0° |
| C13 | C10 | C09 | 112.3° | 109.5° |
| C13 | C10 | C12 | 107.1° | 109.4° |
| C13 | C10 | C11 | 105.8° | 109.5° |
| C10 | C13 | HC13 | 116.8° | 120.0° |
| O08 | C09 | C10 | 108.5° | 109.5° |
| O08 | C09 | C15 | 111.2° | 109.5° |
| O08 | C09 | HC09 | 108.0° | 109.4° |
| C10 | C09 | C15 | 116.3° | 109.5° |
| C09 | C10 | C12 | 112.4° | 109.5° |
| C09 | C10 | C11 | 110.8° | 109.5° |
| C10 | C09 | HC09 | 105.9° | 109.5° |
| C09 | C15 | C24 | 120.1° | 119.7° |
| C09 | C15 | C16 | 126.2° | 119.6° |
| C15 | C09 | HC09 | 106.5° | 109.5° |
| C12 | C10 | C11 | 108.1° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C24 | C15 | C16 | 113.7° | 120.7° |
| C15 | C24 | C21 | 123.4° | 120.7° |
| C15 | C24 | HC24 | 118.3° | 119.6° |
| C15 | C16 | O17 | 118.1° | 120.2° |
| C15 | C16 | C19 | 125.6° | 119.7° |
| C24 | C21 | O22 | 118.9° | 120.2° |
| C24 | C21 | C20 | 123.1° | 119.7° |
| C21 | C24 | HC24 | 118.3° | 119.7° |
| C16 | O17 | C18 | 114.8° | 117.0° |
| O17 | C16 | C19 | 116.3° | 120.1° |
| O17 | C18 | H181 | 109.5° | 109.4° |
| O17 | C18 | H183 | 109.5° | 109.4° |
| O17 | C18 | H182 | 109.5° | 109.5° |
| C16 | C19 | C20 | 118.1° | 119.8° |
| C16 | C19 | C28 | 122.9° | 121.4° |
| O22 | C21 | C20 | 118.0° | 120.2° |
| C21 | O22 | C23 | 120.1° | 117.0° |
| C21 | C20 | C19 | 116.0° | 119.4° |
| C21 | C20 | C25 | 123.6° | 121.2° |
| O22 | C23 | H233 | 109.5° | 109.5° |
| O22 | C23 | H232 | 109.5° | 109.4° |
| O22 | C23 | H231 | 109.5° | 109.5° |
| C20 | C19 | C28 | 118.9° | 118.8° |
| C19 | C20 | C25 | 120.4° | 119.4° |
| C19 | C28 | N29 | 126.4° | 120.6° |
| C19 | C28 | C27 | 118.7° | 118.8° |
| O30 | N29 | C28 | 122.6° | 120.0° |
| C20 | C25 | N31 | 120.8° | 119.7° |
| C20 | C25 | C26 | 117.5° | 120.6° |
| N29 | C28 | C27 | 114.9° | 120.6° |
| C28 | C27 | C26 | 122.3° | 120.6° |
| C28 | C27 | HC27 | 118.9° | 119.7° |
| N31 | C25 | C26 | 121.7° | 119.7° |
| C25 | N31 | O32 | 118.6° | 120.0° |
| C25 | N31 | HN31 | 107.2° | 120.0° |
| C25 | C26 | C27 | 122.2° | 121.9° |
| C25 | C26 | HC26 | 118.9° | 119.0° |
| O32 | N31 | HN31 | 107.1° | 120.0° |
| N31 | O32 | HO32 | 109.5° | 114.0° |
| C27 | C26 | HC26 | 118.9° | 119.1° |
| C26 | C27 | HC27 | 118.9° | 119.7° |
| H113 | C11 | H112 | 109.4° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.4° |
| H142 | C14 | H141 | 120.0° | 120.0° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | HC05 | 180.0° | 180.0° |
| C05 | C04 | C03 | HC04 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 180.0° | 180.0° |
| C05 | C04 | C03 | O07 | 0.0° | 0.3° |
| C04 | C05 | C06 | O07 | 0.0° | 0.2° |
| C04 | C05 | C06 | HC06 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.0° | 0.0° |
| C05 | C06 | O07 | C03 | 0.0° | 0.4° |
| C05 | C06 | O07 | HC06 | 180.0° | 179.8° |
| C06 | C05 | C04 | HC04 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 2.3° | 0.3° |
| C04 | C03 | C02 | O07 | 180.0° | 179.6° |
| C04 | C03 | O07 | C06 | 0.0° | 0.4° |
| C04 | C03 | C02 | O08 | 177.3° | 179.7° |
| C03 | C04 | C05 | HC05 | 180.0° | 180.0° |
| O01 | C02 | C03 | O08 | 179.6° | 179.9° |
| O01 | C02 | C03 | O07 | 177.7° | 180.0° |
| O01 | C02 | O08 | C09 | 41.7° | 0.0° |
| C14 | C13 | C10 | HC13 | 180.0° | 179.9° |
| C14 | C13 | C10 | C09 | 100.5° | 125.2° |
| C14 | C13 | C10 | C12 | 23.3° | 114.8° |
| C14 | C13 | C10 | C11 | 138.5° | 5.2° |
| C13 | C14 | H142 | H141 | 180.0° | 179.9° |
| C02 | C03 | O07 | C06 | 180.0° | 179.9° |
| C03 | C02 | O08 | C09 | 137.9° | 180.0° |
| C02 | C03 | C04 | HC04 | 0.0° | 0.0° |
| O07 | C03 | C02 | O08 | 2.7° | 0.1° |
| O07 | C03 | C04 | HC04 | 180.0° | 179.7° |
| C03 | O07 | C06 | HC06 | 180.0° | 179.8° |
| O07 | C06 | C05 | HC05 | 180.0° | 179.7° |
| C02 | O08 | C09 | C10 | 92.4° | 90.0° |
| C02 | O08 | C09 | C15 | 138.4° | 149.9° |
| C02 | O08 | C09 | HC09 | 22.0° | 29.9° |
| C13 | C10 | C09 | O08 | 107.3° | 175.7° |
| C13 | C10 | C09 | C12 | 120.8° | 120.0° |
| C13 | C10 | C09 | C11 | 118.1° | 120.0° |
| C13 | C10 | C09 | C15 | 126.5° | 64.3° |
| C13 | C10 | C12 | C11 | 113.6° | 120.0° |
| C13 | C10 | C11 | H113 | 180.0° | 180.0° |
| C13 | C10 | C11 | H112 | 60.0° | 60.0° |
| C13 | C10 | C11 | H111 | 60.0° | 60.1° |
| C13 | C10 | C12 | H122 | 180.0° | 60.0° |
| C13 | C10 | C12 | H121 | 60.0° | 60.0° |
| C13 | C10 | C12 | H123 | 60.0° | 179.9° |
| C10 | C13 | C14 | H142 | 180.0° | 0.0° |
| C10 | C13 | C14 | H141 | 0.0° | 179.9° |
| C13 | C10 | C09 | HC09 | 8.4° | 55.7° |
| O08 | C09 | C10 | C15 | 126.2° | 120.1° |
| O08 | C09 | C10 | HC09 | 115.7° | 119.9° |
| O08 | C09 | C15 | HC09 | 117.4° | 120.0° |
| O08 | C09 | C10 | C12 | 13.5° | 55.7° |
| O08 | C09 | C10 | C11 | 134.6° | 64.3° |
| O08 | C09 | C15 | C24 | 155.7° | 145.9° |
| O08 | C09 | C15 | C16 | 23.7° | 33.8° |
| C10 | C09 | C15 | HC09 | 117.7° | 120.0° |
| C09 | C10 | C12 | C11 | 122.6° | 120.0° |
| C10 | C09 | C15 | C24 | 79.4° | 94.0° |
| C10 | C09 | C15 | C16 | 101.2° | 86.2° |
| C09 | C10 | C11 | H113 | 58.0° | 60.0° |
| C09 | C10 | C11 | H112 | 61.9° | 60.0° |
| C09 | C10 | C11 | H111 | 178.0° | 179.9° |
| C09 | C10 | C12 | H122 | 56.2° | 180.0° |
| C09 | C10 | C12 | H121 | 176.2° | 60.0° |
| C09 | C10 | C12 | H123 | 63.8° | 60.0° |
| C09 | C10 | C13 | HC13 | 79.5° | 54.9° |
| C15 | C09 | C10 | C12 | 112.7° | 175.7° |
| C15 | C09 | C10 | C11 | 8.4° | 55.7° |
| C09 | C15 | C24 | C16 | 179.4° | 179.8° |
| C09 | C15 | C24 | C21 | 180.0° | 179.7° |
| C09 | C15 | C16 | O17 | 0.3° | 0.2° |
| C09 | C15 | C16 | C19 | 179.8° | 179.7° |
| C09 | C15 | C24 | HC24 | 0.0° | 0.2° |
| C12 | C10 | C11 | H113 | 65.6° | 60.0° |
| C12 | C10 | C11 | H112 | 174.4° | 180.0° |
| C12 | C10 | C11 | H111 | 54.4° | 59.9° |
| C10 | C12 | H122 | H121 | 120.0° | 120.1° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 119.9° |
| C12 | C10 | C13 | HC13 | 156.6° | 65.1° |
| C12 | C10 | C09 | HC09 | 129.2° | 64.3° |
| C10 | C11 | H113 | H112 | 120.0° | 120.0° |
| C10 | C11 | H113 | H111 | 120.0° | 120.0° |
| C10 | C11 | H112 | H111 | 120.0° | 120.0° |
| C11 | C10 | C12 | H122 | 66.4° | 60.0° |
| C11 | C10 | C12 | H121 | 53.6° | 180.0° |
| C11 | C10 | C12 | H123 | 173.6° | 60.1° |
| C11 | C10 | C13 | HC13 | 41.5° | 174.9° |
| C11 | C10 | C09 | HC09 | 109.7° | 175.7° |
| C15 | C24 | C21 | HC24 | 180.0° | 180.0° |
| C24 | C15 | C16 | O17 | 179.7° | 180.0° |
| C24 | C15 | C16 | C19 | 0.5° | 0.1° |
| C15 | C24 | C21 | O22 | 179.7° | 180.0° |
| C15 | C24 | C21 | C20 | 0.5° | 0.0° |
| C24 | C15 | C09 | HC09 | 38.3° | 26.0° |
| C16 | C15 | C24 | C21 | 0.6° | 0.0° |
| C15 | C16 | O17 | C19 | 179.9° | 179.9° |
| C15 | C16 | O17 | C18 | 87.3° | 96.8° |
| C15 | C16 | C19 | C20 | 0.2° | 0.1° |
| C15 | C16 | C19 | C28 | 179.8° | 180.0° |
| C16 | C15 | C24 | HC24 | 179.4° | 180.0° |
| C16 | C15 | C09 | HC09 | 141.1° | 153.8° |
| C24 | C21 | O22 | C20 | 179.8° | 180.0° |
| C24 | C21 | O22 | C23 | 61.3° | 0.1° |
| C24 | C21 | C20 | C19 | 0.2° | 0.0° |
| C24 | C21 | C20 | C25 | 179.8° | 180.0° |
| O17 | C16 | C19 | C20 | 179.9° | 180.0° |
| O17 | C16 | C19 | C28 | 0.0° | 0.1° |
| C16 | O17 | C18 | H181 | 180.0° | 67.3° |
| C16 | O17 | C18 | H183 | 60.0° | 172.7° |
| C16 | O17 | C18 | H182 | 60.0° | 52.7° |
| C18 | O17 | C16 | C19 | 92.5° | 83.1° |
| O17 | C18 | H181 | H183 | 120.0° | 119.9° |
| O17 | C18 | H181 | H182 | 120.0° | 120.0° |
| O17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C16 | C19 | C20 | C21 | 0.0° | 0.0° |
| C16 | C19 | C20 | C28 | 180.0° | 179.9° |
| C16 | C19 | C20 | C25 | 179.9° | 180.0° |
| C16 | C19 | C28 | N29 | 0.0° | 0.1° |
| C16 | C19 | C28 | C27 | 179.9° | 180.0° |
| O22 | C21 | C20 | C19 | 180.0° | 180.0° |
| O22 | C21 | C20 | C25 | 0.0° | 0.0° |
| C21 | O22 | C23 | H233 | 180.0° | 60.0° |
| C21 | O22 | C23 | H232 | 60.0° | 60.1° |
| C21 | O22 | C23 | H231 | 60.0° | 180.0° |
| O22 | C21 | C24 | HC24 | 0.3° | 0.0° |
| C20 | C21 | O22 | C23 | 118.9° | 179.9° |
| C21 | C20 | C19 | C25 | 180.0° | 180.0° |
| C21 | C20 | C19 | C28 | 180.0° | 180.0° |
| C21 | C20 | C25 | N31 | 0.1° | 0.0° |
| C21 | C20 | C25 | C26 | 180.0° | 180.0° |
| C20 | C21 | C24 | HC24 | 179.5° | 180.0° |
| O22 | C23 | H233 | H232 | 120.0° | 120.0° |
| O22 | C23 | H233 | H231 | 120.0° | 120.0° |
| O22 | C23 | H232 | H231 | 120.0° | 119.9° |
| C20 | C19 | C28 | N29 | 180.0° | 180.0° |
| C20 | C19 | C28 | C27 | 0.0° | 0.0° |
| C19 | C20 | C25 | N31 | 180.0° | 180.0° |
| C19 | C20 | C25 | C26 | 0.0° | 0.0° |
| C19 | C28 | N29 | O30 | 45.6° | 180.0° |
| C28 | C19 | C20 | C25 | 0.0° | 0.0° |
| C19 | C28 | N29 | C27 | 179.9° | 179.9° |
| C19 | C28 | C27 | C26 | 0.1° | 0.0° |
| C19 | C28 | C27 | HC27 | 180.0° | 180.0° |
| O30 | N29 | C28 | C27 | 134.3° | 0.1° |
| C20 | C25 | N31 | C26 | 179.9° | 180.0° |
| C20 | C25 | N31 | O32 | 164.5° | 154.1° |
| C20 | C25 | C26 | C27 | 0.0° | 0.0° |
| C20 | C25 | C26 | HC26 | 180.0° | 180.0° |
| C20 | C25 | N31 | HN31 | 74.2° | 25.9° |
| N29 | C28 | C27 | C26 | 180.0° | 180.0° |
| N29 | C28 | C27 | HC27 | 0.0° | 0.1° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C28 | C27 | C26 | HC27 | 180.0° | 180.0° |
| C28 | C27 | C26 | HC26 | 179.9° | 180.0° |
| C25 | N31 | O32 | HN31 | 121.3° | 180.0° |
| N31 | C25 | C26 | C27 | 180.0° | 180.0° |
| N31 | C25 | C26 | HC26 | 0.0° | 0.0° |
| C25 | N31 | O32 | HO32 | 180.0° | 180.0° |
| C26 | C25 | N31 | O32 | 15.4° | 25.8° |
| C25 | C26 | C27 | HC26 | 180.0° | 180.0° |
| C25 | C26 | C27 | HC27 | 180.0° | 180.0° |
| C26 | C25 | N31 | HN31 | 105.9° | 154.2° |
| H113 | C11 | H112 | H111 | 120.0° | 120.0° |
| H122 | C12 | H121 | H123 | 120.0° | 120.0° |
| HC13 | C13 | C14 | H142 | 0.0° | 179.9° |
| HC13 | C13 | C14 | H141 | 180.0° | 0.0° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H233 | C23 | H232 | H231 | 120.0° | 120.0° |
| HC26 | C26 | C27 | HC27 | 0.0° | 0.0° |
| HC04 | C04 | C05 | HC05 | 0.0° | 0.0° |
| HC05 | C05 | C06 | HC06 | 0.0° | 0.0° |
| HN31 | N31 | O32 | HO32 | 58.7° | 0.0° |
