A1ENL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C17 | doub | 1.34Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.35Å | 1.41Å | Aromatic |
| C17 | S18 | sing | 1.76Å | 1.69Å | Aromatic |
| C14 | S18 | sing | 1.76Å | 1.69Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.55Å | |
| N19 | C13 | sing | 1.35Å | 1.33Å | Aromatic |
| N19 | N20 | doub | 1.29Å | 1.31Å | Aromatic |
| C13 | C12 | doub | 1.37Å | 1.44Å | Aromatic |
| N20 | N11 | sing | 1.29Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.35Å | 1.35Å | Aromatic |
| N11 | C10 | sing | 1.47Å | 1.47Å | |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| O23 | C22 | doub | 1.22Å | 1.25Å | |
| C22 | O24 | sing | 1.35Å | 1.25Å | |
| C22 | C21 | sing | 1.48Å | 1.52Å | |
| C09 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.41Å | |
| C25 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| O26 | B02 | sing | 1.37Å | 1.33Å | |
| C06 | O05 | sing | 1.36Å | 1.43Å | |
| B02 | O03 | sing | 1.37Å | 1.65Å | |
| B02 | O01 | sing | 1.37Å | 1.65Å | |
| B02 | C04 | sing | 1.60Å | 1.56Å | |
| O05 | C04 | sing | 1.43Å | 1.39Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| O24 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 114.2° | 115.0° |
| C16 | C15 | C14 | 114.8° | 114.7° |
| C16 | C15 | H10 | 122.6° | 122.6° |
| C15 | C16 | H11 | 122.9° | 122.5° |
| C16 | C17 | S18 | 105.2° | 109.8° |
| C17 | C16 | H11 | 122.9° | 122.5° |
| C16 | C17 | H12 | 127.4° | 125.1° |
| C15 | C14 | S18 | 104.6° | 109.5° |
| C15 | C14 | C13 | 128.1° | 125.3° |
| C14 | C15 | H10 | 122.6° | 122.7° |
| C17 | S18 | C14 | 101.2° | 91.0° |
| S18 | C17 | H12 | 127.4° | 125.1° |
| S18 | C14 | C13 | 127.3° | 125.3° |
| C14 | C13 | N19 | 125.5° | 126.9° |
| C14 | C13 | C12 | 129.2° | 126.9° |
| C13 | N19 | N20 | 109.7° | 108.8° |
| N19 | C13 | C12 | 105.3° | 106.1° |
| N19 | N20 | N11 | 110.9° | 110.5° |
| C13 | C12 | N11 | 106.3° | 106.0° |
| C13 | C12 | H9 | 126.9° | 127.0° |
| N20 | N11 | C12 | 107.8° | 108.6° |
| N20 | N11 | C10 | 124.1° | 125.7° |
| C12 | N11 | C10 | 128.0° | 125.7° |
| N11 | C12 | H9 | 126.8° | 127.0° |
| N11 | C10 | C09 | 107.4° | 109.4° |
| N11 | C10 | H7 | 110.0° | 109.4° |
| N11 | C10 | H8 | 110.0° | 109.5° |
| C10 | C09 | C21 | 123.2° | 120.0° |
| C10 | C09 | C08 | 115.8° | 120.0° |
| C09 | C10 | H7 | 110.0° | 109.4° |
| C09 | C10 | H8 | 110.0° | 109.5° |
| O23 | C22 | O24 | 117.7° | 120.0° |
| O23 | C22 | C21 | 118.5° | 120.0° |
| O24 | C22 | C21 | 123.6° | 119.9° |
| C22 | O24 | H13 | 109.5° | 116.9° |
| C22 | C21 | C09 | 121.9° | 120.0° |
| C22 | C21 | C25 | 119.9° | 120.1° |
| C21 | C09 | C08 | 121.0° | 120.0° |
| C09 | C21 | C25 | 118.1° | 119.9° |
| C09 | C08 | C07 | 119.5° | 120.1° |
| C09 | C08 | H6 | 120.3° | 120.0° |
| C21 | C25 | O26 | 119.5° | 118.5° |
| C21 | C25 | C06 | 121.8° | 119.4° |
| C08 | C07 | C06 | 120.3° | 120.5° |
| C08 | C07 | H5 | 119.9° | 119.7° |
| C07 | C08 | H6 | 120.3° | 119.9° |
| O26 | C25 | C06 | 118.7° | 122.1° |
| C25 | O26 | B02 | 114.5° | 115.3° |
| C25 | C06 | C07 | 119.2° | 120.1° |
| C25 | C06 | O05 | 121.7° | 121.1° |
| C07 | C06 | O05 | 119.1° | 118.8° |
| C06 | C07 | H5 | 119.8° | 119.8° |
| O26 | B02 | O03 | 110.9° | 109.7° |
| O26 | B02 | O01 | 102.6° | 109.6° |
| O26 | B02 | C04 | 116.5° | 108.6° |
| C06 | O05 | C04 | 118.4° | 115.9° |
| O03 | B02 | O01 | 105.4° | 109.6° |
| O03 | B02 | C04 | 107.2° | 109.6° |
| B02 | O03 | H2 | 109.5° | 114.0° |
| O01 | B02 | C04 | 113.6° | 109.6° |
| B02 | O01 | H1 | 109.5° | 114.0° |
| B02 | C04 | O05 | 113.4° | 107.5° |
| B02 | C04 | H3 | 108.5° | 109.8° |
| B02 | C04 | H4 | 108.5° | 109.8° |
| O05 | C04 | H3 | 108.5° | 109.9° |
| O05 | C04 | H4 | 108.5° | 110.0° |
| H3 | C04 | H4 | 109.4° | 109.8° |
| H7 | C10 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | S18 | 0.5° | 0.0° |
| C16 | C15 | C14 | S18 | 0.5° | 0.0° |
| C16 | C15 | C14 | C13 | 179.8° | 179.7° |
| C15 | C16 | C17 | H12 | 179.5° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.0° |
| C16 | C17 | S18 | H12 | 180.0° | 180.0° |
| C16 | C17 | S18 | C14 | 0.7° | 0.0° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C15 | C14 | S18 | C17 | 0.7° | 0.0° |
| C15 | C14 | S18 | C13 | 179.3° | 179.7° |
| C15 | C14 | C13 | N19 | 10.1° | 0.3° |
| C15 | C14 | C13 | C12 | 169.6° | 179.7° |
| C14 | C15 | C16 | H11 | 180.0° | 179.9° |
| C17 | S18 | C14 | C13 | 180.0° | 179.7° |
| S18 | C17 | C16 | H11 | 179.4° | 179.9° |
| S18 | C14 | C13 | N19 | 169.0° | 179.9° |
| S18 | C14 | C13 | C12 | 11.3° | 0.0° |
| S18 | C14 | C15 | H10 | 179.5° | 180.0° |
| C14 | S18 | C17 | H12 | 179.2° | 180.0° |
| C14 | C13 | N19 | C12 | 179.8° | 180.0° |
| C14 | C13 | N19 | N20 | 179.7° | 179.7° |
| C14 | C13 | C12 | N11 | 179.8° | 180.0° |
| C14 | C13 | C12 | H9 | 0.2° | 0.0° |
| C13 | C14 | C15 | H10 | 0.2° | 0.3° |
| C13 | N19 | N20 | N11 | 0.5° | 0.5° |
| N19 | C13 | C12 | N11 | 0.4° | 0.0° |
| N19 | C13 | C12 | H9 | 179.6° | 180.0° |
| N20 | N19 | C13 | C12 | 0.5° | 0.3° |
| N19 | N20 | N11 | C12 | 0.2° | 0.5° |
| N19 | N20 | N11 | C10 | 179.3° | 179.9° |
| C13 | C12 | N11 | N20 | 0.2° | 0.3° |
| C13 | C12 | N11 | H9 | 180.0° | 179.9° |
| C13 | C12 | N11 | C10 | 178.9° | 179.9° |
| N20 | N11 | C12 | C10 | 179.0° | 179.6° |
| N20 | N11 | C10 | C09 | 94.0° | 55.4° |
| N20 | N11 | C10 | H7 | 25.7° | 175.3° |
| N20 | N11 | C10 | H8 | 146.3° | 64.6° |
| N20 | N11 | C12 | H9 | 179.9° | 179.7° |
| C12 | N11 | C10 | C09 | 87.1° | 125.0° |
| C12 | N11 | C10 | H7 | 153.2° | 5.1° |
| C12 | N11 | C10 | H8 | 32.6° | 114.9° |
| N11 | C10 | C09 | H7 | 119.7° | 119.9° |
| N11 | C10 | C09 | H8 | 119.7° | 120.0° |
| N11 | C10 | C09 | C21 | 96.9° | 85.1° |
| N11 | C10 | C09 | C08 | 80.5° | 95.0° |
| N11 | C10 | H7 | H8 | 121.0° | 120.0° |
| C10 | N11 | C12 | H9 | 1.1° | 0.1° |
| C10 | C09 | C21 | C22 | 5.1° | 0.1° |
| C10 | C09 | C21 | C08 | 177.3° | 179.9° |
| C10 | C09 | C21 | C25 | 179.4° | 179.9° |
| C10 | C09 | C08 | C07 | 178.4° | 179.8° |
| C10 | C09 | C08 | H6 | 1.6° | 0.2° |
| C09 | C10 | H7 | H8 | 121.0° | 120.0° |
| O23 | C22 | O24 | C21 | 174.6° | 180.0° |
| O23 | C22 | C21 | C09 | 37.9° | 90.0° |
| O23 | C22 | C21 | C25 | 137.5° | 90.0° |
| O23 | C22 | O24 | H13 | 0.0° | 0.0° |
| O24 | C22 | C21 | C09 | 147.5° | 90.0° |
| O24 | C22 | C21 | C25 | 37.0° | 90.1° |
| C22 | C21 | C09 | C25 | 175.5° | 179.9° |
| C22 | C21 | C09 | C08 | 177.6° | 180.0° |
| C22 | C21 | C25 | O26 | 3.3° | 0.4° |
| C22 | C21 | C25 | C06 | 177.4° | 179.9° |
| C21 | C22 | O24 | H13 | 174.6° | 180.0° |
| C21 | C09 | C08 | C07 | 1.0° | 0.1° |
| C09 | C21 | C25 | O26 | 178.9° | 179.7° |
| C09 | C21 | C25 | C06 | 1.8° | 0.1° |
| C21 | C09 | C08 | H6 | 179.0° | 179.8° |
| C21 | C09 | C10 | H7 | 22.7° | 155.0° |
| C21 | C09 | C10 | H8 | 143.4° | 35.0° |
| C08 | C09 | C21 | C25 | 2.1° | 0.1° |
| C09 | C08 | C07 | H6 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 0.6° | 0.0° |
| C09 | C08 | C07 | H5 | 179.4° | 179.9° |
| C08 | C09 | C10 | H7 | 159.9° | 24.9° |
| C08 | C09 | C10 | H8 | 39.2° | 145.0° |
| C21 | C25 | O26 | C06 | 179.3° | 179.8° |
| C21 | C25 | C06 | C07 | 0.3° | 0.2° |
| C21 | C25 | O26 | B02 | 148.5° | 159.0° |
| C21 | C25 | C06 | O05 | 178.5° | 179.7° |
| C08 | C07 | C06 | C25 | 1.0° | 0.1° |
| C08 | C07 | C06 | H5 | 180.0° | 179.9° |
| C08 | C07 | C06 | O05 | 179.7° | 179.7° |
| O26 | C25 | C06 | C07 | 179.6° | 179.6° |
| O26 | C25 | C06 | O05 | 0.8° | 0.5° |
| C25 | O26 | B02 | O03 | 74.5° | 70.2° |
| C25 | O26 | B02 | O01 | 173.4° | 169.4° |
| C25 | O26 | B02 | C04 | 48.6° | 49.6° |
| C25 | C06 | C07 | O05 | 178.8° | 179.9° |
| C06 | C25 | O26 | B02 | 32.1° | 21.2° |
| C25 | C06 | O05 | C04 | 15.7° | 15.0° |
| C25 | C06 | C07 | H5 | 179.0° | 179.8° |
| C07 | C06 | O05 | C04 | 165.5° | 165.1° |
| C06 | C07 | C08 | H6 | 179.4° | 179.9° |
| O26 | B02 | O03 | O01 | 110.3° | 120.4° |
| O26 | B02 | O03 | C04 | 128.3° | 119.2° |
| O26 | B02 | O01 | C04 | 126.7° | 119.1° |
| O26 | B02 | C04 | O05 | 33.1° | 60.9° |
| O26 | B02 | O01 | H1 | 180.0° | 60.5° |
| O26 | B02 | O03 | H2 | 180.0° | 60.4° |
| O26 | B02 | C04 | H3 | 87.5° | 58.6° |
| O26 | B02 | C04 | H4 | 153.7° | 179.4° |
| C06 | O05 | C04 | B02 | 0.4° | 42.6° |
| C06 | O05 | C04 | H3 | 120.2° | 76.9° |
| C06 | O05 | C04 | H4 | 121.0° | 162.1° |
| O05 | C06 | C07 | H5 | 0.3° | 0.3° |
| O03 | B02 | O01 | C04 | 117.1° | 120.4° |
| O03 | B02 | C04 | O05 | 91.9° | 58.9° |
| O03 | B02 | O01 | H1 | 63.8° | 60.0° |
| O03 | B02 | C04 | H3 | 147.5° | 178.4° |
| O03 | B02 | C04 | H4 | 28.7° | 60.7° |
| O01 | B02 | C04 | O05 | 152.0° | 179.3° |
| O01 | B02 | O03 | H2 | 69.7° | 60.0° |
| O01 | B02 | C04 | H3 | 31.4° | 61.2° |
| O01 | B02 | C04 | H4 | 87.4° | 59.7° |
| B02 | C04 | O05 | H3 | 120.6° | 119.5° |
| B02 | C04 | O05 | H4 | 120.6° | 119.5° |
| C04 | B02 | O01 | H1 | 53.3° | 179.6° |
| C04 | B02 | O03 | H2 | 51.7° | 179.6° |
| B02 | C04 | H3 | H4 | 118.2° | 120.8° |
| O05 | C04 | H3 | H4 | 118.2° | 121.1° |
| H5 | C07 | C08 | H6 | 0.6° | 0.0° |
| H10 | C15 | C16 | H11 | 0.0° | 0.0° |
| H11 | C16 | C17 | H12 | 0.6° | 0.0° |






