A1EBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C02 | sing | 1.53Å | 1.53Å | |
| C08 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.33Å | 1.32Å | |
| C05 | C11 | sing | 1.46Å | 1.53Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C11 | O01 | doub | 1.21Å | 1.19Å | |
| C04 | C09 | sing | 1.53Å | 1.52Å | |
| C04 | C10 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C02 | C08 | 109.4° | 109.5° |
| C07 | C02 | C03 | 108.8° | 109.5° |
| C07 | C02 | H1 | 109.7° | 109.5° |
| C02 | C07 | H6 | 109.5° | 109.5° |
| C02 | C07 | H7 | 109.4° | 109.5° |
| C02 | C07 | H8 | 109.5° | 109.5° |
| C08 | C02 | C03 | 109.6° | 109.5° |
| C08 | C02 | H1 | 109.7° | 109.4° |
| C02 | C08 | H9 | 109.5° | 109.5° |
| C02 | C08 | H10 | 109.5° | 109.4° |
| C02 | C08 | H11 | 109.5° | 109.4° |
| C02 | C03 | C06 | 110.4° | 109.5° |
| C03 | C02 | H1 | 109.7° | 109.5° |
| C02 | C03 | H2 | 109.2° | 109.5° |
| C02 | C03 | H3 | 109.2° | 109.5° |
| C03 | C06 | C05 | 119.9° | 120.0° |
| C06 | C03 | H2 | 109.3° | 109.5° |
| C06 | C03 | H3 | 109.2° | 109.4° |
| C03 | C06 | H5 | 120.0° | 120.0° |
| C06 | C05 | C11 | 119.8° | 120.1° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| C05 | C06 | H5 | 120.1° | 120.0° |
| C11 | C05 | C04 | 120.3° | 120.0° |
| C05 | C11 | O01 | 120.9° | 120.0° |
| C05 | C11 | H18 | 119.6° | 120.0° |
| C05 | C04 | C09 | 110.2° | 109.4° |
| C05 | C04 | C10 | 110.2° | 109.5° |
| C05 | C04 | H4 | 109.2° | 109.5° |
| O01 | C11 | H18 | 119.5° | 120.0° |
| C09 | C04 | C10 | 108.7° | 109.5° |
| C09 | C04 | H4 | 109.3° | 109.4° |
| C04 | C09 | H12 | 109.5° | 109.4° |
| C04 | C09 | H13 | 109.5° | 109.5° |
| C04 | C09 | H14 | 109.5° | 109.4° |
| C10 | C04 | H4 | 109.2° | 109.5° |
| C04 | C10 | H15 | 109.5° | 109.5° |
| C04 | C10 | H16 | 109.5° | 109.4° |
| C04 | C10 | H17 | 109.5° | 109.5° |
| H2 | C03 | H3 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H9 | C08 | H11 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.4° | 109.5° |
| H12 | C09 | H13 | 109.4° | 109.5° |
| H12 | C09 | H14 | 109.5° | 109.4° |
| H13 | C09 | H14 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C02 | C08 | C03 | 119.2° | 120.0° |
| C07 | C02 | C08 | H1 | 120.4° | 120.0° |
| C07 | C02 | C03 | H1 | 120.0° | 120.0° |
| C07 | C02 | C03 | C06 | 156.5° | 175.0° |
| C07 | C02 | C03 | H2 | 83.4° | 64.9° |
| C07 | C02 | C03 | H3 | 36.3° | 55.0° |
| C02 | C07 | H6 | H7 | 120.0° | 120.1° |
| C02 | C07 | H6 | H8 | 120.0° | 120.0° |
| C02 | C07 | H7 | H8 | 120.0° | 120.0° |
| C07 | C02 | C08 | H9 | 180.0° | 179.9° |
| C07 | C02 | C08 | H10 | 60.0° | 60.0° |
| C07 | C02 | C08 | H11 | 60.0° | 60.0° |
| C08 | C02 | C03 | H1 | 120.5° | 120.0° |
| C08 | C02 | C03 | C06 | 84.0° | 65.0° |
| C08 | C02 | C03 | H2 | 36.1° | 55.1° |
| C08 | C02 | C03 | H3 | 155.9° | 175.0° |
| C08 | C02 | C07 | H6 | 180.0° | 60.0° |
| C08 | C02 | C07 | H7 | 60.0° | 60.0° |
| C08 | C02 | C07 | H8 | 60.0° | 180.0° |
| C02 | C08 | H9 | H10 | 120.0° | 120.0° |
| C02 | C08 | H9 | H11 | 120.0° | 120.0° |
| C02 | C08 | H10 | H11 | 120.0° | 119.9° |
| C02 | C03 | C06 | H2 | 120.1° | 120.1° |
| C02 | C03 | C06 | H3 | 120.1° | 120.0° |
| C02 | C03 | C06 | C05 | 111.8° | 126.3° |
| C02 | C03 | H2 | H3 | 119.6° | 120.0° |
| C02 | C03 | C06 | H5 | 68.2° | 53.6° |
| C03 | C02 | C07 | H6 | 60.4° | 60.0° |
| C03 | C02 | C07 | H7 | 59.7° | 180.0° |
| C03 | C02 | C07 | H8 | 179.6° | 60.1° |
| C03 | C02 | C08 | H9 | 60.9° | 60.0° |
| C03 | C02 | C08 | H10 | 179.1° | 180.0° |
| C03 | C02 | C08 | H11 | 59.2° | 60.0° |
| C03 | C06 | C05 | H5 | 180.0° | 179.9° |
| C03 | C06 | C05 | C11 | 0.5° | 6.2° |
| C03 | C06 | C05 | C04 | 180.0° | 173.9° |
| C06 | C03 | C02 | H1 | 36.4° | 55.0° |
| C06 | C03 | H2 | H3 | 119.6° | 119.9° |
| C06 | C05 | C11 | C04 | 179.4° | 179.9° |
| C06 | C05 | C11 | O01 | 83.1° | 174.7° |
| C06 | C05 | C04 | C09 | 47.5° | 120.0° |
| C06 | C05 | C04 | C10 | 167.5° | 120.0° |
| C05 | C06 | C03 | H2 | 8.3° | 6.2° |
| C05 | C06 | C03 | H3 | 128.1° | 113.7° |
| C06 | C05 | C04 | H4 | 72.5° | 0.1° |
| C06 | C05 | C11 | H18 | 96.9° | 5.2° |
| C05 | C11 | O01 | H18 | 180.0° | 179.9° |
| C11 | C05 | C04 | C09 | 133.0° | 60.1° |
| C11 | C05 | C04 | C10 | 13.1° | 60.0° |
| C11 | C05 | C04 | H4 | 106.9° | 180.0° |
| C11 | C05 | C06 | H5 | 179.4° | 173.9° |
| C04 | C05 | C11 | O01 | 97.4° | 5.4° |
| C05 | C04 | C09 | C10 | 120.9° | 120.0° |
| C05 | C04 | C09 | H4 | 120.0° | 120.0° |
| C05 | C04 | C10 | H4 | 120.0° | 120.1° |
| C04 | C05 | C06 | H5 | 0.0° | 6.0° |
| C05 | C04 | C09 | H12 | 180.0° | 180.0° |
| C05 | C04 | C09 | H13 | 60.0° | 60.0° |
| C05 | C04 | C09 | H14 | 60.0° | 60.1° |
| C05 | C04 | C10 | H15 | 180.0° | 60.0° |
| C05 | C04 | C10 | H16 | 60.0° | 60.0° |
| C05 | C04 | C10 | H17 | 60.0° | 180.0° |
| C04 | C05 | C11 | H18 | 82.6° | 174.7° |
| C09 | C04 | C10 | H4 | 119.1° | 120.0° |
| C04 | C09 | H12 | H13 | 120.0° | 120.0° |
| C04 | C09 | H12 | H14 | 120.0° | 119.9° |
| C04 | C09 | H13 | H14 | 120.0° | 120.0° |
| C09 | C04 | C10 | H15 | 59.1° | 60.0° |
| C09 | C04 | C10 | H16 | 179.1° | 180.0° |
| C09 | C04 | C10 | H17 | 60.9° | 60.0° |
| C10 | C04 | C09 | H12 | 59.1° | 60.0° |
| C10 | C04 | C09 | H13 | 60.9° | 180.0° |
| C10 | C04 | C09 | H14 | 179.2° | 60.0° |
| C04 | C10 | H15 | H16 | 120.0° | 120.0° |
| C04 | C10 | H15 | H17 | 120.0° | 120.0° |
| C04 | C10 | H16 | H17 | 120.0° | 120.0° |
| H1 | C02 | C03 | H2 | 156.6° | 175.0° |
| H1 | C02 | C03 | H3 | 83.7° | 65.0° |
| H1 | C02 | C07 | H6 | 59.7° | 180.0° |
| H1 | C02 | C07 | H7 | 179.7° | 59.9° |
| H1 | C02 | C07 | H8 | 60.3° | 60.0° |
| H1 | C02 | C08 | H9 | 59.6° | 60.1° |
| H1 | C02 | C08 | H10 | 60.4° | 60.0° |
| H1 | C02 | C08 | H11 | 179.7° | 179.9° |
| H2 | C03 | C06 | H5 | 171.7° | 173.7° |
| H3 | C03 | C06 | H5 | 51.9° | 66.4° |
| H4 | C04 | C09 | H12 | 60.0° | 60.0° |
| H4 | C04 | C09 | H13 | 180.0° | 60.0° |
| H4 | C04 | C09 | H14 | 60.0° | 179.9° |
| H4 | C04 | C10 | H15 | 60.0° | 180.0° |
| H4 | C04 | C10 | H16 | 60.0° | 60.0° |
| H4 | C04 | C10 | H17 | 180.0° | 59.9° |
| H6 | C07 | H7 | H8 | 120.0° | 119.9° |
| H9 | C08 | H10 | H11 | 120.0° | 120.1° |
| H12 | C09 | H13 | H14 | 120.0° | 120.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
