A1ENM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.22Å | 1.26Å | |
| O20 | C18 | sing | 1.35Å | 1.26Å | |
| C18 | C17 | sing | 1.47Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C16 | C14 | doub | 1.35Å | 1.42Å | Aromatic |
| C16 | N11 | sing | 1.35Å | 1.32Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| N11 | C10 | sing | 1.46Å | 1.45Å | |
| N11 | N12 | sing | 1.40Å | 1.33Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C17 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| O01 | B02 | sing | 1.37Å | 1.65Å | |
| O22 | C21 | sing | 1.36Å | 1.40Å | |
| O22 | B02 | sing | 1.37Å | 1.34Å | |
| C13 | N12 | doub | 1.31Å | 1.31Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| B02 | O03 | sing | 1.37Å | 1.66Å | |
| B02 | C04 | sing | 1.60Å | 1.58Å | |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | O05 | sing | 1.36Å | 1.44Å | |
| C04 | O05 | sing | 1.43Å | 1.41Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| O01 | H5 | sing | 0.97Å | 0.95Å | |
| O03 | H6 | sing | 0.97Å | 0.95Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O20 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | O20 | 121.6° | 120.0° |
| O19 | C18 | C17 | 119.9° | 120.0° |
| O20 | C18 | C17 | 118.5° | 120.0° |
| C18 | O20 | H14 | 109.5° | 117.0° |
| C18 | C17 | C09 | 123.0° | 120.1° |
| C18 | C17 | C21 | 117.1° | 120.0° |
| C15 | C14 | C16 | 129.9° | 126.0° |
| C15 | C14 | C13 | 125.0° | 126.0° |
| C14 | C15 | H1 | 109.5° | 109.4° |
| C14 | C15 | H2 | 109.4° | 109.4° |
| C14 | C15 | H3 | 109.5° | 109.4° |
| C14 | C16 | N11 | 105.7° | 107.7° |
| C16 | C14 | C13 | 105.0° | 107.9° |
| C14 | C16 | H4 | 127.2° | 126.1° |
| C16 | N11 | C10 | 127.6° | 126.0° |
| C16 | N11 | N12 | 112.0° | 108.0° |
| N11 | C16 | H4 | 127.1° | 126.1° |
| C14 | C13 | N12 | 108.3° | 108.2° |
| C14 | C13 | H13 | 125.8° | 125.9° |
| C10 | N11 | N12 | 120.4° | 126.0° |
| N11 | C10 | C09 | 111.3° | 109.5° |
| N11 | C10 | H11 | 109.0° | 109.5° |
| N11 | C10 | H12 | 109.0° | 109.5° |
| N11 | N12 | C13 | 108.9° | 108.2° |
| C10 | C09 | C17 | 121.5° | 120.0° |
| C10 | C09 | C08 | 118.9° | 120.0° |
| C09 | C10 | H11 | 109.0° | 109.5° |
| C09 | C10 | H12 | 109.0° | 109.4° |
| C09 | C17 | C21 | 119.8° | 119.9° |
| C17 | C09 | C08 | 119.6° | 120.0° |
| C17 | C21 | O22 | 117.3° | 118.6° |
| C17 | C21 | C06 | 120.9° | 119.3° |
| O01 | B02 | O22 | 106.0° | 109.6° |
| O01 | B02 | O03 | 105.4° | 109.7° |
| O01 | B02 | C04 | 112.0° | 109.6° |
| B02 | O01 | H5 | 109.5° | 113.9° |
| C21 | O22 | B02 | 112.8° | 115.5° |
| O22 | C21 | C06 | 121.7° | 122.1° |
| O22 | B02 | O03 | 109.5° | 109.7° |
| O22 | B02 | C04 | 117.8° | 108.4° |
| N12 | C13 | H13 | 125.8° | 125.9° |
| C09 | C08 | C07 | 120.0° | 120.2° |
| C09 | C08 | H10 | 120.0° | 119.9° |
| C21 | C06 | C07 | 119.0° | 120.1° |
| C21 | C06 | O05 | 123.4° | 121.1° |
| O03 | B02 | C04 | 105.6° | 109.8° |
| B02 | O03 | H6 | 109.5° | 114.0° |
| B02 | C04 | O05 | 113.9° | 107.6° |
| B02 | C04 | H7 | 108.3° | 109.9° |
| B02 | C04 | H8 | 108.4° | 109.8° |
| C08 | C07 | C06 | 120.7° | 120.5° |
| C08 | C07 | H9 | 119.6° | 119.8° |
| C07 | C08 | H10 | 120.0° | 119.9° |
| C07 | C06 | O05 | 117.7° | 118.8° |
| C06 | C07 | H9 | 119.7° | 119.8° |
| C06 | O05 | C04 | 115.4° | 115.9° |
| O05 | C04 | H7 | 108.3° | 109.9° |
| O05 | C04 | H8 | 108.4° | 109.9° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.9° |
| H11 | C10 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | O20 | C17 | 177.9° | 180.0° |
| O19 | C18 | C17 | C09 | 140.7° | 90.0° |
| O19 | C18 | C17 | C21 | 39.9° | 89.7° |
| O19 | C18 | O20 | H14 | 0.0° | 0.0° |
| O20 | C18 | C17 | C09 | 41.4° | 90.0° |
| O20 | C18 | C17 | C21 | 138.0° | 90.3° |
| C18 | C17 | C09 | C10 | 0.2° | 0.3° |
| C18 | C17 | C09 | C21 | 179.4° | 179.7° |
| C18 | C17 | C21 | O22 | 1.9° | 0.8° |
| C18 | C17 | C09 | C08 | 179.0° | 179.7° |
| C18 | C17 | C21 | C06 | 179.0° | 179.5° |
| C17 | C18 | O20 | H14 | 177.9° | 180.0° |
| C15 | C14 | C16 | C13 | 179.6° | 179.7° |
| C15 | C14 | C16 | N11 | 179.7° | 180.0° |
| C15 | C14 | C13 | N12 | 178.9° | 179.9° |
| C14 | C15 | H1 | H2 | 120.0° | 119.9° |
| C14 | C15 | H1 | H3 | 120.0° | 120.0° |
| C14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | C14 | C16 | H4 | 0.3° | 0.1° |
| C15 | C14 | C13 | H13 | 1.1° | 0.0° |
| C14 | C16 | N11 | H4 | 180.0° | 179.9° |
| C14 | C16 | N11 | C10 | 179.3° | 180.0° |
| C14 | C16 | N11 | N12 | 0.3° | 0.1° |
| C16 | C14 | C13 | N12 | 1.6° | 0.4° |
| C16 | C14 | C15 | H1 | 90.3° | 89.7° |
| C16 | C14 | C15 | H2 | 149.7° | 30.3° |
| C16 | C14 | C15 | H3 | 29.7° | 150.3° |
| C16 | C14 | C13 | H13 | 178.4° | 179.7° |
| N11 | C16 | C14 | C13 | 0.7° | 0.3° |
| C16 | N11 | C10 | N12 | 179.6° | 179.9° |
| C16 | N11 | C10 | C09 | 67.4° | 125.0° |
| C16 | N11 | N12 | C13 | 1.4° | 0.2° |
| C16 | N11 | C10 | H11 | 52.9° | 4.9° |
| C16 | N11 | C10 | H12 | 172.3° | 115.0° |
| C14 | C13 | N12 | N11 | 1.8° | 0.3° |
| C14 | C13 | N12 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | H1 | 90.2° | 90.0° |
| C13 | C14 | C15 | H2 | 29.8° | 150.0° |
| C13 | C14 | C15 | H3 | 149.8° | 30.0° |
| C13 | C14 | C16 | H4 | 179.2° | 179.8° |
| N11 | C10 | C09 | H11 | 120.3° | 120.1° |
| N11 | C10 | C09 | H12 | 120.3° | 120.0° |
| N11 | C10 | C09 | C17 | 116.7° | 84.9° |
| C10 | N11 | N12 | C13 | 178.3° | 179.7° |
| N11 | C10 | C09 | C08 | 64.1° | 95.0° |
| C10 | N11 | C16 | H4 | 0.7° | 0.1° |
| N11 | C10 | H11 | H12 | 119.2° | 120.0° |
| N12 | N11 | C10 | C09 | 113.0° | 54.9° |
| N12 | N11 | C16 | H4 | 179.7° | 180.0° |
| N12 | N11 | C10 | H11 | 126.7° | 175.0° |
| N12 | N11 | C10 | H12 | 7.3° | 65.1° |
| N11 | N12 | C13 | H13 | 178.2° | 179.8° |
| C10 | C09 | C17 | C08 | 179.2° | 180.0° |
| C10 | C09 | C17 | C21 | 179.6° | 179.9° |
| C10 | C09 | C08 | C07 | 179.6° | 179.9° |
| C10 | C09 | C08 | H10 | 0.4° | 0.1° |
| C09 | C10 | H11 | H12 | 119.1° | 119.9° |
| C09 | C17 | C21 | O22 | 178.7° | 179.5° |
| C09 | C17 | C21 | C06 | 0.4° | 0.2° |
| C17 | C09 | C08 | C07 | 0.4° | 0.1° |
| C17 | C09 | C08 | H10 | 179.6° | 179.8° |
| C17 | C09 | C10 | H11 | 3.6° | 155.0° |
| C17 | C09 | C10 | H12 | 123.0° | 35.1° |
| C17 | C21 | O22 | C06 | 179.1° | 179.6° |
| C17 | C21 | O22 | B02 | 154.9° | 158.9° |
| C21 | C17 | C09 | C08 | 0.3° | 0.0° |
| C17 | C21 | C06 | C07 | 0.5° | 0.3° |
| C17 | C21 | C06 | O05 | 178.6° | 179.5° |
| O01 | B02 | O22 | C21 | 171.1° | 169.3° |
| O01 | B02 | O22 | O03 | 113.2° | 120.5° |
| O01 | B02 | O22 | C04 | 126.3° | 119.6° |
| O01 | B02 | O03 | C04 | 118.7° | 120.5° |
| O01 | B02 | C04 | O05 | 165.1° | 179.6° |
| O01 | B02 | O03 | H6 | 180.0° | 60.0° |
| O01 | B02 | C04 | H7 | 44.5° | 60.9° |
| O01 | B02 | C04 | H8 | 74.2° | 60.1° |
| C21 | O22 | B02 | O03 | 75.8° | 70.2° |
| C21 | O22 | B02 | C04 | 44.8° | 49.7° |
| O22 | C21 | C06 | C07 | 178.6° | 179.4° |
| O22 | C21 | C06 | O05 | 2.3° | 0.8° |
| B02 | O22 | C21 | C06 | 26.0° | 21.5° |
| O22 | B02 | O03 | C04 | 127.7° | 119.1° |
| O22 | B02 | C04 | O05 | 41.9° | 60.8° |
| O22 | B02 | O01 | H5 | 180.0° | 60.5° |
| O22 | B02 | O03 | H6 | 66.5° | 60.4° |
| O22 | B02 | C04 | H7 | 78.8° | 58.7° |
| O22 | B02 | C04 | H8 | 162.5° | 179.7° |
| C09 | C08 | C07 | H10 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.4° | 0.1° |
| C09 | C08 | C07 | H9 | 179.6° | 179.9° |
| C08 | C09 | C10 | H11 | 175.7° | 25.1° |
| C08 | C09 | C10 | H12 | 56.2° | 145.0° |
| C21 | C06 | C07 | C08 | 0.5° | 0.1° |
| C21 | C06 | C07 | O05 | 179.1° | 179.8° |
| C21 | C06 | O05 | C04 | 1.1° | 15.2° |
| C21 | C06 | C07 | H9 | 179.5° | 179.9° |
| O03 | B02 | C04 | O05 | 80.7° | 59.0° |
| O03 | B02 | O01 | H5 | 64.0° | 60.0° |
| O03 | B02 | C04 | H7 | 158.7° | 178.6° |
| O03 | B02 | C04 | H8 | 40.0° | 60.5° |
| B02 | C04 | O05 | C06 | 16.3° | 42.7° |
| B02 | C04 | O05 | H7 | 120.6° | 119.5° |
| B02 | C04 | O05 | H8 | 120.7° | 119.4° |
| C04 | B02 | O01 | H5 | 50.3° | 179.4° |
| C04 | B02 | O03 | H6 | 61.2° | 179.4° |
| B02 | C04 | H7 | H8 | 118.0° | 120.9° |
| C08 | C07 | C06 | H9 | 180.0° | 180.0° |
| C08 | C07 | C06 | O05 | 178.6° | 179.7° |
| C07 | C06 | O05 | C04 | 178.1° | 165.0° |
| C06 | C07 | C08 | H10 | 179.5° | 179.9° |
| C06 | O05 | C04 | H7 | 104.3° | 76.9° |
| C06 | O05 | C04 | H8 | 137.0° | 162.1° |
| O05 | C06 | C07 | H9 | 1.4° | 0.3° |
| O05 | C04 | H7 | H8 | 118.0° | 121.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.1° |
| H9 | C07 | C08 | H10 | 0.5° | 0.1° |






