A1E2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | CL01 | sing | 1.80Å | 1.78Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | N02 | sing | 1.47Å | 1.45Å | |
| O02 | C08 | doub | 1.22Å | 1.19Å | |
| N02 | C08 | sing | 1.35Å | 1.45Å | |
| N02 | N03 | sing | 1.29Å | 1.41Å | |
| C08 | N01 | sing | 1.35Å | 1.46Å | |
| N03 | O01 | doub | 1.22Å | 1.18Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N01 | C04 | sing | 1.47Å | 1.45Å | |
| C06 | C01 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C01 | C07 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| N01 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL01 | C10 | C09 | 109.3° | 109.4° |
| CL01 | C10 | H16 | 109.5° | 109.5° |
| CL01 | C10 | H17 | 109.5° | 109.4° |
| C10 | C09 | N02 | 110.1° | 109.4° |
| C10 | C09 | H14 | 109.3° | 109.5° |
| C10 | C09 | H15 | 109.3° | 109.5° |
| C09 | C10 | H16 | 109.5° | 109.5° |
| C09 | C10 | H17 | 109.5° | 109.5° |
| C09 | N02 | C08 | 121.1° | 120.0° |
| C09 | N02 | N03 | 120.9° | 120.0° |
| N02 | C09 | H14 | 109.3° | 109.5° |
| N02 | C09 | H15 | 109.3° | 109.5° |
| O02 | C08 | N02 | 120.9° | 120.0° |
| O02 | C08 | N01 | 121.6° | 120.0° |
| C08 | N02 | N03 | 118.0° | 120.0° |
| N02 | C08 | N01 | 117.5° | 120.0° |
| N02 | N03 | O01 | 120.4° | 120.0° |
| C08 | N01 | C04 | 121.9° | 120.0° |
| C08 | N01 | H18 | 119.1° | 120.0° |
| C06 | C05 | C04 | 112.2° | 109.5° |
| C05 | C06 | C01 | 113.0° | 109.5° |
| C06 | C05 | H7 | 108.8° | 109.5° |
| C06 | C05 | H8 | 108.8° | 109.4° |
| C05 | C06 | H9 | 108.6° | 109.5° |
| C05 | C06 | H10 | 108.6° | 109.5° |
| C05 | C04 | N01 | 109.8° | 109.5° |
| C05 | C04 | C03 | 111.0° | 109.5° |
| C05 | C04 | H6 | 108.6° | 109.4° |
| C04 | C05 | H7 | 108.8° | 109.5° |
| C04 | C05 | H8 | 108.8° | 109.5° |
| N01 | C04 | C03 | 109.2° | 109.5° |
| N01 | C04 | H6 | 109.6° | 109.4° |
| C04 | N01 | H18 | 119.1° | 120.0° |
| C06 | C01 | C07 | 109.4° | 109.5° |
| C06 | C01 | C02 | 110.7° | 109.4° |
| C06 | C01 | H1 | 109.1° | 109.5° |
| C01 | C06 | H9 | 108.6° | 109.5° |
| C01 | C06 | H10 | 108.6° | 109.5° |
| C04 | C03 | C02 | 112.8° | 109.4° |
| C04 | C03 | H4 | 108.7° | 109.5° |
| C04 | C03 | H5 | 108.6° | 109.5° |
| C03 | C04 | H6 | 108.6° | 109.5° |
| C07 | C01 | C02 | 109.2° | 109.5° |
| C07 | C01 | H1 | 109.2° | 109.5° |
| C01 | C07 | H11 | 109.5° | 109.5° |
| C01 | C07 | H12 | 109.5° | 109.5° |
| C01 | C07 | H13 | 109.5° | 109.5° |
| C01 | C02 | C03 | 112.6° | 109.5° |
| C02 | C01 | H1 | 109.2° | 109.5° |
| C01 | C02 | H2 | 108.7° | 109.5° |
| C01 | C02 | H3 | 108.7° | 109.4° |
| C03 | C02 | H2 | 108.7° | 109.5° |
| C03 | C02 | H3 | 108.7° | 109.4° |
| C02 | C03 | H4 | 108.6° | 109.5° |
| C02 | C03 | H5 | 108.6° | 109.5° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.4° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.4° |
| H11 | C07 | H13 | 109.5° | 109.4° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL01 | C10 | C09 | H16 | 120.0° | 120.0° |
| CL01 | C10 | C09 | H17 | 120.0° | 120.0° |
| CL01 | C10 | C09 | N02 | 66.5° | 180.0° |
| CL01 | C10 | C09 | H14 | 173.4° | 60.0° |
| CL01 | C10 | C09 | H15 | 53.6° | 60.0° |
| CL01 | C10 | H16 | H17 | 120.1° | 120.0° |
| C10 | C09 | N02 | H14 | 120.1° | 120.0° |
| C10 | C09 | N02 | H15 | 120.1° | 120.0° |
| C10 | C09 | N02 | C08 | 116.9° | 90.0° |
| C10 | C09 | N02 | N03 | 63.6° | 90.0° |
| C10 | C09 | H14 | H15 | 119.7° | 120.0° |
| C09 | C10 | H16 | H17 | 120.1° | 120.1° |
| C09 | N02 | C08 | O02 | 0.3° | 174.9° |
| C09 | N02 | C08 | N03 | 179.5° | 180.0° |
| C09 | N02 | C08 | N01 | 179.9° | 5.1° |
| C09 | N02 | N03 | O01 | 111.9° | 174.7° |
| N02 | C09 | H14 | H15 | 119.7° | 120.0° |
| N02 | C09 | C10 | H16 | 53.5° | 60.0° |
| N02 | C09 | C10 | H17 | 173.5° | 60.0° |
| O02 | C08 | N02 | N01 | 179.8° | 180.0° |
| O02 | C08 | N02 | N03 | 179.9° | 5.1° |
| O02 | C08 | N01 | C04 | 0.0° | 5.2° |
| O02 | C08 | N01 | H18 | 180.0° | 174.8° |
| C08 | N02 | N03 | O01 | 67.6° | 5.3° |
| N02 | C08 | N01 | C04 | 179.8° | 174.9° |
| C08 | N02 | C09 | H14 | 3.2° | 30.0° |
| C08 | N02 | C09 | H15 | 123.0° | 150.0° |
| N02 | C08 | N01 | H18 | 0.2° | 5.1° |
| N03 | N02 | C08 | N01 | 0.4° | 175.0° |
| N03 | N02 | C09 | H14 | 176.3° | 150.0° |
| N03 | N02 | C09 | H15 | 56.5° | 30.0° |
| C08 | N01 | C04 | C05 | 71.1° | 85.0° |
| C08 | N01 | C04 | H18 | 180.0° | 180.0° |
| C08 | N01 | C04 | C03 | 167.0° | 155.0° |
| C08 | N01 | C04 | H6 | 48.1° | 35.0° |
| C06 | C05 | C04 | H7 | 120.4° | 120.0° |
| C06 | C05 | C04 | H8 | 120.4° | 120.0° |
| C06 | C05 | C04 | N01 | 177.1° | 60.0° |
| C05 | C06 | C01 | H9 | 120.5° | 120.0° |
| C05 | C06 | C01 | H10 | 120.5° | 120.0° |
| C06 | C05 | C04 | C03 | 62.0° | 60.0° |
| C05 | C06 | C01 | C07 | 153.6° | 180.0° |
| C05 | C06 | C01 | C02 | 33.2° | 60.0° |
| C05 | C06 | C01 | H1 | 87.0° | 60.0° |
| C06 | C05 | C04 | H6 | 57.3° | 180.0° |
| C06 | C05 | H7 | H8 | 118.7° | 120.0° |
| C05 | C06 | H9 | H10 | 118.4° | 120.0° |
| C05 | C04 | N01 | C03 | 121.9° | 120.0° |
| C05 | C04 | N01 | H6 | 119.3° | 120.0° |
| C04 | C05 | C06 | C01 | 25.8° | 60.0° |
| C05 | C04 | C03 | H6 | 119.3° | 120.0° |
| C05 | C04 | C03 | C02 | 34.3° | 60.0° |
| C05 | C04 | C03 | H4 | 154.8° | 180.0° |
| C05 | C04 | C03 | H5 | 86.2° | 60.0° |
| C04 | C05 | H7 | H8 | 118.8° | 120.0° |
| C04 | C05 | C06 | H9 | 146.3° | 180.0° |
| C04 | C05 | C06 | H10 | 94.7° | 60.0° |
| C05 | C04 | N01 | H18 | 108.9° | 95.0° |
| N01 | C04 | C03 | H6 | 119.5° | 120.0° |
| N01 | C04 | C03 | C02 | 155.4° | 60.0° |
| N01 | C04 | C03 | H4 | 84.1° | 60.0° |
| N01 | C04 | C03 | H5 | 35.0° | 180.0° |
| N01 | C04 | C05 | H7 | 56.7° | 60.0° |
| N01 | C04 | C05 | H8 | 62.4° | 180.0° |
| C06 | C01 | C07 | C02 | 121.3° | 120.0° |
| C06 | C01 | C07 | H1 | 119.4° | 120.0° |
| C06 | C01 | C02 | H1 | 120.2° | 120.0° |
| C06 | C01 | C02 | C03 | 61.0° | 60.1° |
| C06 | C01 | C02 | H2 | 59.4° | 60.0° |
| C06 | C01 | C02 | H3 | 178.5° | 180.0° |
| C01 | C06 | C05 | H7 | 146.3° | 180.0° |
| C01 | C06 | C05 | H8 | 94.6° | 60.0° |
| C01 | C06 | H9 | H10 | 118.4° | 120.0° |
| C06 | C01 | C07 | H11 | 180.0° | 60.0° |
| C06 | C01 | C07 | H12 | 60.0° | 60.0° |
| C06 | C01 | C07 | H13 | 60.0° | 179.9° |
| C04 | C03 | C02 | C01 | 25.2° | 60.1° |
| C04 | C03 | C02 | H4 | 120.5° | 120.0° |
| C04 | C03 | C02 | H5 | 120.5° | 120.0° |
| C04 | C03 | C02 | H2 | 95.3° | 60.0° |
| C04 | C03 | C02 | H3 | 145.6° | 180.0° |
| C04 | C03 | H4 | H5 | 118.5° | 120.0° |
| C03 | C04 | C05 | H7 | 177.6° | 180.0° |
| C03 | C04 | C05 | H8 | 58.4° | 60.0° |
| C03 | C04 | N01 | H18 | 13.0° | 25.0° |
| C07 | C01 | C02 | H1 | 119.3° | 120.0° |
| C07 | C01 | C02 | C03 | 178.5° | 179.9° |
| C07 | C01 | C02 | H2 | 61.0° | 60.0° |
| C07 | C01 | C02 | H3 | 58.0° | 60.0° |
| C07 | C01 | C06 | H9 | 33.1° | 60.0° |
| C07 | C01 | C06 | H10 | 85.8° | 60.0° |
| C01 | C07 | H11 | H12 | 120.0° | 120.0° |
| C01 | C07 | H11 | H13 | 120.0° | 120.0° |
| C01 | C07 | H12 | H13 | 120.0° | 120.1° |
| C01 | C02 | C03 | H2 | 120.5° | 120.1° |
| C01 | C02 | C03 | H3 | 120.5° | 119.9° |
| C01 | C02 | H2 | H3 | 118.5° | 119.9° |
| C01 | C02 | C03 | H4 | 95.3° | 180.0° |
| C01 | C02 | C03 | H5 | 145.6° | 59.9° |
| C02 | C01 | C06 | H9 | 87.3° | 180.0° |
| C02 | C01 | C06 | H10 | 153.8° | 60.0° |
| C02 | C01 | C07 | H11 | 58.7° | 60.0° |
| C02 | C01 | C07 | H12 | 61.3° | 179.9° |
| C02 | C01 | C07 | H13 | 178.7° | 60.0° |
| C03 | C02 | C01 | H1 | 59.1° | 59.9° |
| C03 | C02 | H2 | H3 | 118.6° | 120.0° |
| C02 | C03 | H4 | H5 | 118.5° | 120.1° |
| C02 | C03 | C04 | H6 | 85.0° | 180.0° |
| H1 | C01 | C02 | H2 | 179.6° | 180.0° |
| H1 | C01 | C02 | H3 | 61.3° | 60.0° |
| H1 | C01 | C06 | H9 | 152.5° | 60.0° |
| H1 | C01 | C06 | H10 | 33.5° | NaN° |
| H1 | C01 | C07 | H11 | 60.6° | NaN° |
| H1 | C01 | C07 | H12 | 179.3° | 60.0° |
| H1 | C01 | C07 | H13 | 59.4° | 60.1° |
| H2 | C02 | C03 | H4 | 144.2° | 60.0° |
| H2 | C02 | C03 | H5 | 25.1° | 180.0° |
| H3 | C02 | C03 | H4 | 25.1° | 60.0° |
| H3 | C02 | C03 | H5 | 93.9° | 60.0° |
| H4 | C03 | C04 | H6 | 35.4° | 60.0° |
| H5 | C03 | C04 | H6 | 154.5° | 60.0° |
| H6 | C04 | C05 | H7 | 63.2° | 60.0° |
| H6 | C04 | C05 | H8 | 177.7° | 60.1° |
| H6 | C04 | N01 | H18 | 131.9° | 145.0° |
| H7 | C05 | C06 | H9 | 93.2° | 60.0° |
| H7 | C05 | C06 | H10 | 25.7° | 60.0° |
| H8 | C05 | C06 | H9 | 25.9° | 60.0° |
| H8 | C05 | C06 | H10 | 144.9° | 180.0° |
| H11 | C07 | H12 | H13 | 120.0° | 119.9° |
| H14 | C09 | C10 | H16 | 66.6° | 60.0° |
| H14 | C09 | C10 | H17 | 53.4° | 180.0° |
| H15 | C09 | C10 | H16 | 173.6° | 180.0° |
| H15 | C09 | C10 | H17 | 66.4° | 60.0° |






