A1EAJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C02 | sing | 1.51Å | 1.52Å | |
| N07 | C03 | sing | 1.47Å | 1.46Å | |
| C02 | C01 | doub | 1.31Å | 1.32Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C01 | C09 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.51Å | 1.54Å | |
| C04 | O06 | doub | 1.21Å | 1.26Å | |
| C04 | O05 | sing | 1.34Å | 1.27Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| N07 | H9 | sing | 1.01Å | 1.00Å | |
| N07 | H10 | sing | 1.01Å | 1.00Å | |
| O05 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C02 | C01 | 118.7° | 120.0° |
| C08 | C02 | C03 | 118.3° | 120.0° |
| C02 | C08 | H3 | 109.5° | 109.5° |
| C02 | C08 | H4 | 109.5° | 109.5° |
| C02 | C08 | H5 | 109.5° | 109.5° |
| N07 | C03 | C02 | 108.2° | 109.5° |
| N07 | C03 | C04 | 109.0° | 109.5° |
| N07 | C03 | H2 | 110.6° | 109.5° |
| C03 | N07 | H9 | 109.5° | 111.0° |
| C03 | N07 | H10 | 109.5° | 111.0° |
| C01 | C02 | C03 | 123.0° | 120.0° |
| C02 | C01 | C09 | 123.7° | 120.0° |
| C02 | C01 | H1 | 118.1° | 120.0° |
| C02 | C03 | C04 | 109.9° | 109.5° |
| C02 | C03 | H2 | 109.7° | 109.5° |
| C09 | C01 | H1 | 118.1° | 120.0° |
| C01 | C09 | H6 | 109.5° | 109.5° |
| C01 | C09 | H7 | 109.5° | 109.5° |
| C01 | C09 | H8 | 109.5° | 109.5° |
| C03 | C04 | O06 | 120.3° | 120.0° |
| C03 | C04 | O05 | 121.8° | 120.0° |
| C04 | C03 | H2 | 109.5° | 109.5° |
| O06 | C04 | O05 | 117.9° | 120.0° |
| C04 | O05 | H12 | 109.5° | 116.9° |
| H3 | C08 | H4 | 109.4° | 109.5° |
| H3 | C08 | H5 | 109.5° | 109.5° |
| H4 | C08 | H5 | 109.5° | 109.4° |
| H6 | C09 | H7 | 109.5° | 109.5° |
| H6 | C09 | H8 | 109.4° | 109.5° |
| H7 | C09 | H8 | 109.4° | 109.4° |
| H9 | N07 | H10 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C02 | C03 | N07 | 54.6° | 54.9° |
| C08 | C02 | C01 | C03 | 179.9° | 180.0° |
| C08 | C02 | C01 | C09 | 179.4° | 180.0° |
| C08 | C02 | C03 | C04 | 64.4° | 65.0° |
| C08 | C02 | C01 | H1 | 0.5° | 0.3° |
| C08 | C02 | C03 | H2 | 175.3° | 175.0° |
| C02 | C08 | H3 | H4 | 120.0° | 120.0° |
| C02 | C08 | H3 | H5 | 120.0° | 120.0° |
| C02 | C08 | H4 | H5 | 120.0° | 119.9° |
| N07 | C03 | C02 | C01 | 125.5° | 125.0° |
| N07 | C03 | C02 | C04 | 118.9° | 120.0° |
| N07 | C03 | C02 | H2 | 120.7° | 120.0° |
| N07 | C03 | C04 | H2 | 121.1° | 120.0° |
| N07 | C03 | C04 | O06 | 25.2° | 20.0° |
| N07 | C03 | C04 | O05 | 155.2° | 160.0° |
| C03 | N07 | H9 | H10 | 120.0° | 123.9° |
| C02 | C01 | C09 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | C04 | 115.6° | 115.0° |
| C01 | C02 | C03 | H2 | 4.8° | 5.0° |
| C01 | C02 | C08 | H3 | 180.0° | 90.0° |
| C01 | C02 | C08 | H4 | 60.0° | 150.0° |
| C01 | C02 | C08 | H5 | 60.0° | 30.1° |
| C02 | C01 | C09 | H6 | 180.0° | 60.3° |
| C02 | C01 | C09 | H7 | 60.0° | 59.8° |
| C02 | C01 | C09 | H8 | 60.0° | 179.7° |
| C03 | C02 | C01 | C09 | 0.5° | 0.0° |
| C02 | C03 | C04 | H2 | 120.5° | 120.0° |
| C02 | C03 | C04 | O06 | 143.7° | 100.0° |
| C02 | C03 | C04 | O05 | 36.8° | 80.0° |
| C03 | C02 | C01 | H1 | 179.5° | 179.7° |
| C03 | C02 | C08 | H3 | 0.1° | 90.0° |
| C03 | C02 | C08 | H4 | 119.9° | 30.1° |
| C03 | C02 | C08 | H5 | 120.1° | 150.0° |
| C02 | C03 | N07 | H9 | 180.0° | 176.1° |
| C02 | C03 | N07 | H10 | 60.0° | 60.0° |
| C01 | C09 | H6 | H7 | 120.0° | 120.0° |
| C01 | C09 | H6 | H8 | 120.0° | 120.0° |
| C01 | C09 | H7 | H8 | 120.0° | 119.9° |
| C03 | C04 | O06 | O05 | 179.6° | 180.0° |
| C04 | C03 | N07 | H9 | 60.5° | 63.9° |
| C04 | C03 | N07 | H10 | 59.5° | 60.0° |
| C03 | C04 | O05 | H12 | 179.6° | 180.0° |
| O06 | C04 | C03 | H2 | 95.9° | 140.0° |
| O06 | C04 | O05 | H12 | 0.0° | 0.0° |
| O05 | C04 | C03 | H2 | 83.7° | 40.0° |
| H1 | C01 | C09 | H6 | 0.0° | 120.0° |
| H1 | C01 | C09 | H7 | 120.0° | 119.9° |
| H1 | C01 | C09 | H8 | 120.0° | 0.0° |
| H2 | C03 | N07 | H9 | 59.9° | 56.0° |
| H2 | C03 | N07 | H10 | 179.9° | 180.0° |
| H3 | C08 | H4 | H5 | 120.0° | 120.0° |
| H6 | C09 | H7 | H8 | 119.9° | 120.0° |
