A1EAD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C07 | C06 | sing | 1.53Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C08 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | doub | 1.36Å | 1.37Å | |
| C04 | C12 | sing | 1.41Å | 1.43Å | |
| C03 | C02 | sing | 1.41Å | 1.37Å | |
| O20 | C19 | doub | 1.22Å | 1.17Å | |
| C11 | C08 | sing | 1.53Å | 1.51Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| C19 | C12 | sing | 1.47Å | 1.40Å | |
| C19 | N18 | sing | 1.35Å | 1.31Å | |
| C12 | C13 | doub | 1.40Å | 1.34Å | |
| C02 | O01 | doub | 1.22Å | 1.17Å | |
| C02 | O14 | sing | 1.35Å | 1.33Å | |
| N18 | C16 | sing | 1.34Å | 1.33Å | |
| C13 | O14 | sing | 1.34Å | 1.38Å | |
| C13 | N15 | sing | 1.37Å | 1.35Å | |
| C16 | N15 | sing | 1.34Å | 1.31Å | |
| C16 | O17 | doub | 1.22Å | 1.17Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| N15 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 102.9° | 109.5° |
| C05 | C06 | C07 | 107.4° | 109.5° |
| C06 | C05 | H4 | 111.1° | 109.4° |
| C06 | C05 | H5 | 111.1° | 109.5° |
| C05 | C06 | H6 | 110.0° | 109.5° |
| C05 | C06 | H7 | 110.0° | 109.5° |
| C05 | C04 | C03 | 111.2° | 120.7° |
| C05 | C04 | C12 | 125.6° | 120.7° |
| C04 | C05 | H4 | 111.1° | 109.5° |
| C04 | C05 | H5 | 111.1° | 109.5° |
| C06 | C07 | C08 | 119.1° | 109.5° |
| C07 | C06 | H6 | 110.0° | 109.4° |
| C07 | C06 | H7 | 110.0° | 109.5° |
| C06 | C07 | H8 | 107.0° | 109.5° |
| C06 | C07 | H9 | 107.0° | 109.5° |
| C07 | C08 | C10 | 112.0° | 117.5° |
| C07 | C08 | C11 | 119.3° | 117.5° |
| C07 | C08 | C09 | 118.6° | 115.6° |
| C08 | C07 | H8 | 107.0° | 109.4° |
| C08 | C07 | H9 | 107.0° | 109.5° |
| C11 | C10 | C08 | 59.6° | 60.0° |
| C10 | C11 | C08 | 60.3° | 60.0° |
| C11 | C10 | H13 | 120.1° | 117.5° |
| C11 | C10 | H14 | 120.1° | 117.5° |
| C10 | C11 | H15 | 119.9° | 117.5° |
| C10 | C11 | H16 | 120.0° | 117.5° |
| C10 | C08 | C11 | 60.1° | 60.0° |
| C10 | C08 | C09 | 115.8° | 117.5° |
| C08 | C10 | H13 | 120.1° | 117.4° |
| C08 | C10 | H14 | 120.1° | 117.5° |
| C03 | C04 | C12 | 118.1° | 118.6° |
| C04 | C03 | C02 | 115.6° | 119.5° |
| C04 | C03 | H1 | 122.2° | 120.2° |
| C04 | C12 | C19 | 125.7° | 121.5° |
| C04 | C12 | C13 | 116.7° | 119.9° |
| C03 | C02 | O01 | 120.9° | 119.5° |
| C03 | C02 | O14 | 117.5° | 121.0° |
| C02 | C03 | H1 | 122.2° | 120.2° |
| O20 | C19 | C12 | 121.1° | 120.9° |
| O20 | C19 | N18 | 118.3° | 120.9° |
| C11 | C08 | C09 | 116.9° | 117.5° |
| C08 | C11 | H15 | 119.9° | 117.5° |
| C08 | C11 | H16 | 120.0° | 117.5° |
| C08 | C09 | H10 | 109.5° | 109.5° |
| C08 | C09 | H11 | 109.5° | 109.5° |
| C08 | C09 | H12 | 109.5° | 109.5° |
| C12 | C19 | N18 | 120.6° | 118.2° |
| C19 | C12 | C13 | 117.5° | 118.6° |
| C19 | N18 | C16 | 120.2° | 120.7° |
| C19 | N18 | H18 | 119.9° | 119.7° |
| C12 | C13 | O14 | 122.6° | 120.0° |
| C12 | C13 | N15 | 119.7° | 118.8° |
| O01 | C02 | O14 | 121.6° | 119.5° |
| C02 | O14 | C13 | 117.4° | 121.0° |
| N18 | C16 | N15 | 120.7° | 122.7° |
| N18 | C16 | O17 | 121.2° | 118.6° |
| C16 | N18 | H18 | 119.9° | 119.7° |
| O14 | C13 | N15 | 117.6° | 121.2° |
| C13 | N15 | C16 | 121.3° | 121.0° |
| C13 | N15 | H2 | 119.4° | 119.5° |
| N15 | C16 | O17 | 118.1° | 118.6° |
| C16 | N15 | H2 | 119.4° | 119.5° |
| H4 | C05 | H5 | 109.5° | 109.4° |
| H6 | C06 | H7 | 109.4° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H10 | C09 | H12 | 109.5° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.4° | 115.6° |
| H15 | C11 | H16 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H4 | 119.0° | 120.0° |
| C06 | C05 | C04 | H5 | 118.9° | 120.1° |
| C05 | C06 | C07 | H6 | 119.7° | 120.0° |
| C05 | C06 | C07 | H7 | 119.7° | 120.0° |
| C05 | C06 | C07 | C08 | 159.2° | NaN° |
| C06 | C05 | C04 | C03 | 54.5° | 95.0° |
| C06 | C05 | C04 | C12 | 99.4° | 84.9° |
| C06 | C05 | H4 | H5 | 123.1° | 120.0° |
| C05 | C06 | H6 | H7 | 121.0° | 120.0° |
| C05 | C06 | C07 | H8 | 37.8° | 60.0° |
| C05 | C06 | C07 | H9 | 79.5° | 59.9° |
| C04 | C05 | C06 | C07 | 145.9° | 180.0° |
| C05 | C04 | C03 | C12 | 156.0° | 179.9° |
| C05 | C04 | C03 | C02 | 125.8° | 180.0° |
| C05 | C04 | C12 | C19 | 39.0° | 0.1° |
| C05 | C04 | C12 | C13 | 143.4° | 179.9° |
| C05 | C04 | C03 | H1 | 54.2° | 0.1° |
| C04 | C05 | H4 | H5 | 123.0° | 120.0° |
| C04 | C05 | C06 | H6 | 94.4° | 60.1° |
| C04 | C05 | C06 | H7 | 26.3° | 60.0° |
| C06 | C07 | C08 | H8 | 121.4° | 120.0° |
| C06 | C07 | C08 | H9 | 121.3° | 120.1° |
| C06 | C07 | C08 | C10 | 144.8° | 179.9° |
| C06 | C07 | C08 | C11 | 77.7° | 111.3° |
| C06 | C07 | C08 | C09 | 76.2° | 34.4° |
| C07 | C06 | C05 | H4 | 95.1° | 60.0° |
| C07 | C06 | C05 | H5 | 27.0° | 59.9° |
| C07 | C06 | H6 | H7 | 121.0° | 120.0° |
| C06 | C07 | H8 | H9 | 115.6° | 120.0° |
| C07 | C08 | C11 | C10 | 99.9° | 107.5° |
| C07 | C08 | C10 | C09 | 140.3° | 145.0° |
| C07 | C08 | C11 | C09 | 154.3° | 145.0° |
| C08 | C07 | C06 | H6 | 81.1° | 60.0° |
| C08 | C07 | C06 | H7 | 39.5° | 60.0° |
| C08 | C07 | H8 | H9 | 115.7° | 120.0° |
| C07 | C08 | C09 | H10 | 180.0° | 85.6° |
| C07 | C08 | C09 | H11 | 60.0° | 154.4° |
| C07 | C08 | C09 | H12 | 60.0° | 34.4° |
| C07 | C08 | C10 | H13 | 2.7° | 145.1° |
| C07 | C08 | C10 | H14 | 138.5° | 0.1° |
| C07 | C08 | C11 | H15 | 150.6° | 0.0° |
| C07 | C08 | C11 | H16 | 9.7° | 145.1° |
| C11 | C10 | C08 | H13 | 109.4° | 107.5° |
| C11 | C10 | C08 | H14 | 109.4° | 107.5° |
| C10 | C11 | C08 | H15 | 109.5° | 107.5° |
| C10 | C11 | C08 | H16 | 109.6° | 107.4° |
| C11 | C10 | C08 | C09 | 107.5° | 107.5° |
| C11 | C10 | H13 | H14 | 145.0° | 145.8° |
| C10 | C11 | H15 | H16 | 144.6° | 145.6° |
| C10 | C08 | C07 | H8 | 93.8° | 60.1° |
| C10 | C08 | C07 | H9 | 23.4° | 59.8° |
| C10 | C08 | C09 | H10 | 42.5° | 60.1° |
| C10 | C08 | C09 | H11 | 162.4° | 59.9° |
| C10 | C08 | C09 | H12 | 77.6° | 179.9° |
| C08 | C10 | H13 | H14 | 144.9° | 145.7° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C03 | C04 | C12 | C19 | 168.7° | 180.0° |
| C03 | C04 | C12 | C13 | 8.9° | 0.0° |
| C04 | C03 | C02 | O01 | 137.9° | 180.0° |
| C04 | C03 | C02 | O14 | 42.1° | 0.2° |
| C03 | C04 | C05 | H4 | 64.5° | 145.0° |
| C03 | C04 | C05 | H5 | 173.4° | 25.1° |
| C12 | C04 | C03 | C02 | 30.2° | 0.0° |
| C04 | C12 | C19 | O20 | 1.8° | 0.0° |
| C04 | C12 | C19 | C13 | 177.6° | 180.0° |
| C04 | C12 | C19 | N18 | 178.6° | 180.0° |
| C04 | C12 | C13 | O14 | 2.2° | 0.2° |
| C04 | C12 | C13 | N15 | 178.6° | 180.0° |
| C12 | C04 | C03 | H1 | 149.8° | 180.0° |
| C12 | C04 | C05 | H4 | 141.7° | 35.0° |
| C12 | C04 | C05 | H5 | 19.6° | 155.0° |
| C03 | C02 | O01 | O14 | 180.0° | 179.7° |
| C03 | C02 | O14 | C13 | 31.2° | 0.5° |
| O20 | C19 | C12 | N18 | 179.6° | 180.0° |
| O20 | C19 | C12 | C13 | 179.3° | 180.0° |
| O20 | C19 | N18 | C16 | 179.8° | 180.0° |
| O20 | C19 | N18 | H18 | 0.2° | 0.0° |
| C11 | C08 | C07 | H8 | 160.9° | 128.7° |
| C11 | C08 | C07 | H9 | 43.6° | 8.8° |
| C11 | C08 | C09 | H10 | 25.5° | 128.7° |
| C11 | C08 | C09 | H11 | 94.5° | 8.8° |
| C11 | C08 | C09 | H12 | 145.5° | 111.3° |
| C08 | C11 | H15 | H16 | 144.6° | 145.8° |
| C09 | C08 | C07 | H8 | 45.2° | 85.6° |
| C09 | C08 | C07 | H9 | 162.5° | 154.4° |
| C08 | C09 | H10 | H11 | 120.0° | 120.0° |
| C08 | C09 | H10 | H12 | 120.0° | 120.0° |
| C08 | C09 | H11 | H12 | 120.0° | 120.0° |
| C09 | C08 | C10 | H13 | 143.0° | 0.0° |
| C09 | C08 | C10 | H14 | 1.8° | 145.0° |
| C09 | C08 | C11 | H15 | 3.8° | 145.0° |
| C09 | C08 | C11 | H16 | 144.7° | 0.1° |
| C12 | C19 | N18 | C16 | 0.7° | 0.0° |
| C19 | C12 | C13 | O14 | 180.0° | 179.8° |
| C19 | C12 | C13 | N15 | 0.8° | 0.0° |
| C12 | C19 | N18 | H18 | 179.3° | 180.0° |
| N18 | C19 | C12 | C13 | 1.1° | 0.0° |
| C19 | N18 | C16 | H18 | 180.0° | 179.9° |
| C19 | N18 | C16 | N15 | 0.1° | 0.0° |
| C19 | N18 | C16 | O17 | 179.9° | 180.0° |
| C12 | C13 | O14 | C02 | 8.9° | 0.4° |
| C12 | C13 | O14 | N15 | 179.2° | 179.8° |
| C12 | C13 | N15 | C16 | 0.0° | 0.0° |
| C12 | C13 | N15 | H2 | 180.0° | 180.0° |
| O01 | C02 | O14 | C13 | 148.8° | 179.8° |
| O01 | C02 | C03 | H1 | 42.1° | 0.1° |
| C02 | O14 | C13 | N15 | 170.3° | 179.7° |
| O14 | C02 | C03 | H1 | 137.9° | 179.8° |
| N18 | C16 | N15 | C13 | 0.4° | 0.0° |
| N18 | C16 | N15 | O17 | 179.9° | 180.0° |
| N18 | C16 | N15 | H2 | 179.6° | 180.0° |
| O14 | C13 | N15 | C16 | 179.3° | 179.8° |
| O14 | C13 | N15 | H2 | 0.7° | 0.2° |
| C13 | N15 | C16 | H2 | 180.0° | 180.0° |
| C13 | N15 | C16 | O17 | 179.5° | 180.0° |
| N15 | C16 | N18 | H18 | 179.9° | 180.0° |
| O17 | C16 | N18 | H18 | 0.1° | 0.0° |
| O17 | C16 | N15 | H2 | 0.5° | 0.0° |
| H4 | C05 | C06 | H6 | 24.6° | 179.9° |
| H4 | C05 | C06 | H7 | 145.2° | 60.0° |
| H5 | C05 | C06 | H6 | 146.7° | 60.0° |
| H5 | C05 | C06 | H7 | 92.7° | 180.0° |
| H6 | C06 | C07 | H8 | 157.5° | 180.0° |
| H6 | C06 | C07 | H9 | 40.2° | 60.0° |
| H7 | C06 | C07 | H8 | 81.9° | 60.0° |
| H7 | C06 | C07 | H9 | 160.9° | 180.0° |
| H10 | C09 | H11 | H12 | 120.0° | 120.0° |
| H13 | C10 | C11 | H15 | 141.1° | 145.0° |
| H13 | C10 | C11 | H16 | 0.2° | 0.1° |
| H14 | C10 | C11 | H15 | 0.2° | 0.1° |
| H14 | C10 | C11 | H16 | 141.1° | 145.0° |
