A1EDE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.54Å | 1.50Å | |
| C16 | C12 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.54Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | O09 | sing | 1.36Å | 1.39Å | |
| C10 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| CL08 | C03 | sing | 1.74Å | 1.79Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| O09 | C04 | sing | 1.36Å | 1.39Å | |
| N07 | C02 | sing | 1.40Å | 1.46Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | N19 | sing | 1.48Å | 1.45Å | |
| O21 | N19 | doub | 1.22Å | 1.39Å | |
| N19 | O20 | sing | 1.22Å | 1.18Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| N07 | H12 | sing | 0.97Å | 1.00Å | |
| N07 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C12 | 105.9° | 105.2° |
| C16 | C17 | C18 | 106.4° | 102.4° |
| C16 | C17 | H2 | 110.3° | 110.9° |
| C16 | C17 | H3 | 110.2° | 111.0° |
| C17 | C16 | H8 | 110.4° | 110.3° |
| C17 | C16 | H9 | 110.4° | 110.2° |
| C16 | C12 | C11 | 129.9° | 130.4° |
| C16 | C12 | C13 | 108.5° | 109.7° |
| C12 | C16 | H8 | 110.4° | 110.4° |
| C12 | C16 | H9 | 110.4° | 110.3° |
| C17 | C18 | C13 | 104.8° | 105.2° |
| C18 | C17 | H2 | 110.2° | 110.8° |
| C18 | C17 | H3 | 110.2° | 110.8° |
| C17 | C18 | H10 | 110.7° | 110.3° |
| C17 | C18 | H11 | 110.6° | 110.3° |
| C11 | C12 | C13 | 121.6° | 119.9° |
| C12 | C11 | C10 | 117.7° | 120.2° |
| C12 | C11 | H6 | 121.2° | 119.9° |
| C12 | C13 | C18 | 110.6° | 109.7° |
| C12 | C13 | C14 | 120.2° | 119.9° |
| C18 | C13 | C14 | 129.3° | 130.4° |
| C13 | C18 | H10 | 110.6° | 110.3° |
| C13 | C18 | H11 | 110.6° | 110.3° |
| C11 | C10 | O09 | 123.2° | 120.1° |
| C11 | C10 | C15 | 120.5° | 119.8° |
| C10 | C11 | H6 | 121.2° | 119.9° |
| C13 | C14 | C15 | 118.9° | 120.3° |
| C13 | C14 | H7 | 120.6° | 119.9° |
| O09 | C10 | C15 | 116.1° | 120.1° |
| C10 | O09 | C04 | 126.4° | 118.0° |
| C10 | C15 | C14 | 121.2° | 119.9° |
| C10 | C15 | H1 | 119.4° | 120.1° |
| CL08 | C03 | C04 | 120.4° | 120.1° |
| CL08 | C03 | C02 | 118.7° | 120.1° |
| C14 | C15 | H1 | 119.4° | 120.0° |
| C15 | C14 | H7 | 120.5° | 119.8° |
| O09 | C04 | C03 | 113.2° | 120.0° |
| O09 | C04 | C05 | 125.8° | 120.0° |
| N07 | C02 | C03 | 118.0° | 120.0° |
| N07 | C02 | C01 | 123.1° | 120.0° |
| C02 | N07 | H12 | 109.5° | 120.0° |
| C02 | N07 | H13 | 109.5° | 120.0° |
| C04 | C03 | C02 | 120.8° | 119.8° |
| C03 | C04 | C05 | 120.9° | 120.0° |
| C03 | C02 | C01 | 118.9° | 119.9° |
| C04 | C05 | C06 | 118.3° | 120.1° |
| C04 | C05 | H4 | 120.9° | 119.9° |
| C02 | C01 | C06 | 120.3° | 120.0° |
| C02 | C01 | N19 | 118.9° | 120.0° |
| C05 | C06 | C01 | 120.8° | 120.2° |
| C06 | C05 | H4 | 120.9° | 120.0° |
| C05 | C06 | H5 | 119.6° | 119.9° |
| C06 | C01 | N19 | 120.8° | 120.0° |
| C01 | C06 | H5 | 119.6° | 119.9° |
| C01 | N19 | O21 | 118.0° | 120.0° |
| C01 | N19 | O20 | 122.9° | 120.0° |
| O21 | N19 | O20 | 119.1° | 120.0° |
| H2 | C17 | H3 | 109.5° | 110.7° |
| H8 | C16 | H9 | 109.5° | 110.3° |
| H10 | C18 | H11 | 109.5° | 110.3° |
| H12 | N07 | H13 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C12 | H8 | 119.4° | 118.9° |
| C17 | C16 | C12 | H9 | 119.4° | 118.9° |
| C16 | C17 | C18 | H2 | 119.5° | 118.3° |
| C16 | C17 | C18 | H3 | 119.5° | 118.4° |
| C17 | C16 | C12 | C11 | 168.2° | 162.8° |
| C17 | C16 | C12 | C13 | 12.2° | 17.2° |
| C16 | C17 | C18 | C13 | 18.9° | 26.4° |
| C16 | C17 | H2 | H3 | 121.4° | 123.7° |
| C17 | C16 | H8 | H9 | 121.7° | 122.0° |
| C16 | C17 | C18 | H10 | 138.2° | 92.5° |
| C16 | C17 | C18 | H11 | 100.3° | 145.4° |
| C12 | C16 | C17 | C18 | 19.3° | 26.4° |
| C16 | C12 | C11 | C13 | 179.6° | 180.0° |
| C16 | C12 | C13 | C18 | 0.2° | 0.0° |
| C16 | C12 | C11 | C10 | 179.4° | 179.9° |
| C16 | C12 | C13 | C14 | 179.5° | 179.8° |
| C12 | C16 | C17 | H2 | 100.2° | 91.8° |
| C12 | C16 | C17 | H3 | 138.8° | 144.7° |
| C16 | C12 | C11 | H6 | 0.5° | 0.1° |
| C12 | C16 | H8 | H9 | 121.7° | 122.2° |
| C17 | C18 | C13 | C12 | 11.8° | 17.2° |
| C17 | C18 | C13 | H10 | 119.3° | 118.9° |
| C17 | C18 | C13 | H11 | 119.3° | 118.9° |
| C17 | C18 | C13 | C14 | 168.5° | 162.5° |
| C18 | C17 | H2 | H3 | 121.4° | 123.4° |
| C18 | C17 | C16 | H8 | 100.1° | 92.6° |
| C18 | C17 | C16 | H9 | 138.7° | 145.4° |
| C17 | C18 | H10 | H11 | 122.2° | 122.1° |
| C11 | C12 | C13 | C18 | 179.9° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C12 | C11 | C10 | O09 | 176.7° | 179.9° |
| C12 | C11 | C10 | C15 | 1.8° | 0.3° |
| C11 | C12 | C16 | H8 | 72.4° | 78.3° |
| C11 | C12 | C16 | H9 | 48.7° | 43.9° |
| C12 | C13 | C18 | C14 | 179.7° | 179.7° |
| C13 | C12 | C11 | C10 | 1.0° | 0.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.3° |
| C13 | C12 | C11 | H6 | 179.0° | 179.9° |
| C12 | C13 | C14 | H7 | 179.6° | 180.0° |
| C13 | C12 | C16 | H8 | 107.2° | 101.7° |
| C13 | C12 | C16 | H9 | 131.7° | 136.1° |
| C12 | C13 | C18 | H10 | 131.0° | 101.7° |
| C12 | C13 | C18 | H11 | 107.5° | 136.2° |
| C18 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C18 | C17 | H2 | 100.6° | 91.9° |
| C13 | C18 | C17 | H3 | 138.4° | 144.8° |
| C18 | C13 | C14 | H7 | 0.1° | 0.3° |
| C13 | C18 | H10 | H11 | 122.1° | 122.1° |
| C11 | C10 | O09 | C15 | 175.0° | 179.6° |
| C11 | C10 | C15 | C14 | 1.6° | 0.3° |
| C11 | C10 | O09 | C04 | 65.0° | 104.3° |
| C11 | C10 | C15 | H1 | 178.4° | 179.8° |
| C13 | C14 | C15 | C10 | 0.4° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.7° |
| C13 | C14 | C15 | H1 | 179.5° | 179.9° |
| C14 | C13 | C18 | H10 | 49.2° | 78.6° |
| C14 | C13 | C18 | H11 | 72.3° | 43.6° |
| O09 | C10 | C15 | C14 | 176.8° | 179.9° |
| C10 | O09 | C04 | C03 | 148.7° | 174.7° |
| C10 | O09 | C04 | C05 | 35.5° | 5.3° |
| O09 | C10 | C15 | H1 | 3.2° | 0.2° |
| O09 | C10 | C11 | H6 | 3.4° | 0.1° |
| C10 | C15 | C14 | H1 | 180.0° | 179.9° |
| C15 | C10 | O09 | C04 | 120.0° | 76.1° |
| C15 | C10 | C11 | H6 | 178.2° | 179.7° |
| C10 | C15 | C14 | H7 | 179.5° | 179.7° |
| CL08 | C03 | C04 | O09 | 3.5° | 0.0° |
| CL08 | C03 | C02 | N07 | 0.3° | 0.0° |
| CL08 | C03 | C04 | C02 | 178.2° | 179.9° |
| CL08 | C03 | C04 | C05 | 179.6° | 180.0° |
| CL08 | C03 | C02 | C01 | 179.3° | 180.0° |
| O09 | C04 | C03 | C05 | 176.1° | 180.0° |
| O09 | C04 | C03 | C02 | 178.3° | 180.0° |
| O09 | C04 | C05 | C06 | 177.5° | 180.0° |
| O09 | C04 | C05 | H4 | 2.6° | 0.0° |
| N07 | C02 | C03 | C04 | 178.5° | 179.9° |
| N07 | C02 | C03 | C01 | 179.6° | 179.9° |
| N07 | C02 | C01 | C06 | 180.0° | 179.9° |
| N07 | C02 | C01 | N19 | 1.2° | 0.4° |
| C02 | N07 | H12 | H13 | 120.0° | 180.0° |
| C04 | C03 | C02 | C01 | 1.1° | 0.0° |
| C03 | C04 | C05 | C06 | 1.9° | 0.1° |
| C03 | C04 | C05 | H4 | 178.1° | 180.0° |
| C02 | C03 | C04 | C05 | 2.3° | 0.0° |
| C03 | C02 | C01 | C06 | 0.4° | 0.0° |
| C03 | C02 | C01 | N19 | 179.3° | 179.7° |
| C03 | C02 | N07 | H12 | 180.0° | 177.6° |
| C03 | C02 | N07 | H13 | 60.0° | 2.4° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | C01 | 0.5° | 0.1° |
| C04 | C05 | C06 | H5 | 179.5° | 179.7° |
| C02 | C01 | C06 | C05 | 0.7° | 0.0° |
| C02 | C01 | C06 | N19 | 178.8° | 179.7° |
| C02 | C01 | N19 | O21 | 0.1° | 141.2° |
| C02 | C01 | N19 | O20 | 179.1° | 38.7° |
| C02 | C01 | C06 | H5 | 179.3° | 179.7° |
| C01 | C02 | N07 | H12 | 0.5° | 2.3° |
| C01 | C02 | N07 | H13 | 120.4° | 177.7° |
| C05 | C06 | C01 | H5 | 180.0° | 179.7° |
| C05 | C06 | C01 | N19 | 179.5° | 179.7° |
| C06 | C01 | N19 | O21 | 179.0° | 39.1° |
| C06 | C01 | N19 | O20 | 0.2° | 141.0° |
| C01 | C06 | C05 | H4 | 179.6° | 180.0° |
| C01 | N19 | O21 | O20 | 179.2° | 179.9° |
| N19 | C01 | C06 | H5 | 0.5° | 0.0° |
| H1 | C15 | C14 | H7 | 0.5° | 0.2° |
| H2 | C17 | C16 | H8 | 140.3° | 149.2° |
| H2 | C17 | C16 | H9 | 19.2° | 27.2° |
| H2 | C17 | C18 | H10 | 18.6° | 149.2° |
| H2 | C17 | C18 | H11 | 140.1° | 27.1° |
| H3 | C17 | C16 | H8 | 19.4° | 25.7° |
| H3 | C17 | C16 | H9 | 101.8° | 96.4° |
| H3 | C17 | C18 | H10 | 102.3° | 25.9° |
| H3 | C17 | C18 | H11 | 19.2° | 96.3° |
| H4 | C05 | C06 | H5 | 0.4° | 0.3° |
