A1EPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.21Å | |
| C02 | C04 | sing | 1.47Å | 1.59Å | |
| C02 | N03 | sing | 1.35Å | 1.48Å | |
| C05 | C04 | doub | 1.37Å | 1.41Å | Aromatic |
| C05 | N06 | sing | 1.33Å | 1.37Å | Aromatic |
| C04 | N08 | sing | 1.38Å | 1.33Å | Aromatic |
| N06 | C07 | doub | 1.31Å | 1.36Å | Aromatic |
| N08 | C07 | sing | 1.35Å | 1.35Å | Aromatic |
| N08 | C09 | sing | 1.46Å | 1.46Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N03 | H032 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C04 | 121.0° | 120.0° |
| O01 | C02 | N03 | 116.9° | 120.0° |
| C04 | C02 | N03 | 122.1° | 120.1° |
| C02 | C04 | C05 | 130.3° | 126.8° |
| C02 | C04 | N08 | 123.4° | 126.8° |
| C02 | N03 | H031 | 120.0° | 119.9° |
| C02 | N03 | H032 | 120.0° | 120.0° |
| C04 | C05 | N06 | 107.8° | 107.8° |
| C05 | C04 | N08 | 106.3° | 106.3° |
| C04 | C05 | H051 | 126.1° | 126.1° |
| C05 | N06 | C07 | 107.1° | 109.7° |
| N06 | C05 | H051 | 126.1° | 126.1° |
| C04 | N08 | C07 | 110.0° | 107.0° |
| C04 | N08 | C09 | 122.6° | 126.5° |
| N06 | C07 | N08 | 108.8° | 109.2° |
| N06 | C07 | H071 | 125.6° | 125.4° |
| C07 | N08 | C09 | 127.3° | 126.4° |
| N08 | C07 | H071 | 125.6° | 125.4° |
| N08 | C09 | C10 | 107.5° | 109.5° |
| N08 | C09 | H092 | 110.0° | 109.4° |
| N08 | C09 | H091 | 110.0° | 109.5° |
| C09 | C10 | C11 | 114.6° | 117.5° |
| C09 | C10 | C12 | 115.0° | 117.5° |
| C10 | C09 | H092 | 110.0° | 109.5° |
| C10 | C09 | H091 | 110.0° | 109.4° |
| C09 | C10 | H101 | 117.9° | 115.5° |
| C10 | C11 | C12 | 59.8° | 60.0° |
| C11 | C10 | C12 | 60.4° | 60.0° |
| C11 | C10 | H101 | 118.1° | 117.5° |
| C10 | C11 | H111 | 120.0° | 117.5° |
| C10 | C11 | H112 | 120.0° | 117.5° |
| C11 | C12 | C10 | 59.8° | 60.0° |
| C12 | C11 | H111 | 120.0° | 117.5° |
| C12 | C11 | H112 | 120.0° | 117.5° |
| C11 | C12 | H122 | 120.1° | 117.5° |
| C11 | C12 | H121 | 120.0° | 117.5° |
| C12 | C10 | H101 | 118.1° | 117.5° |
| C10 | C12 | H122 | 120.0° | 117.5° |
| C10 | C12 | H121 | 120.0° | 117.5° |
| H092 | C09 | H091 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 115.5° |
| H122 | C12 | H121 | 109.5° | 115.5° |
| H031 | N03 | H032 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C04 | N03 | 177.1° | 179.7° |
| O01 | C02 | C04 | C05 | 111.2° | 174.9° |
| O01 | C02 | C04 | N08 | 68.2° | 5.4° |
| O01 | C02 | N03 | H031 | 0.0° | 175.3° |
| O01 | C02 | N03 | H032 | 180.0° | 4.7° |
| C02 | C04 | C05 | N08 | 179.5° | 179.8° |
| C02 | C04 | C05 | N06 | 179.3° | 180.0° |
| C02 | C04 | N08 | C07 | 179.7° | 179.8° |
| C02 | C04 | N08 | C09 | 1.5° | 0.0° |
| C02 | C04 | C05 | H051 | 0.7° | 0.1° |
| C04 | C02 | N03 | H031 | 177.2° | 5.0° |
| C04 | C02 | N03 | H032 | 2.8° | 175.0° |
| N03 | C02 | C04 | C05 | 65.9° | 5.4° |
| N03 | C02 | C04 | N08 | 114.7° | 174.4° |
| C02 | N03 | H031 | H032 | 180.0° | 180.0° |
| C04 | C05 | N06 | H051 | 180.0° | 179.9° |
| C04 | C05 | N06 | C07 | 1.2° | 0.1° |
| C05 | C04 | N08 | C07 | 0.8° | 0.4° |
| C05 | C04 | N08 | C09 | 178.0° | 179.8° |
| N06 | C05 | C04 | N08 | 1.2° | 0.2° |
| C05 | N06 | C07 | N08 | 0.7° | 0.3° |
| C05 | N06 | C07 | H071 | 179.3° | 180.0° |
| C04 | N08 | C07 | N06 | 0.1° | 0.5° |
| C04 | N08 | C07 | C09 | 178.7° | 179.8° |
| C04 | N08 | C09 | C10 | 86.2° | 86.1° |
| N08 | C04 | C05 | H051 | 178.8° | 179.7° |
| C04 | N08 | C07 | H071 | 179.9° | 179.9° |
| C04 | N08 | C09 | H092 | 154.1° | 33.9° |
| C04 | N08 | C09 | H091 | 33.5° | 153.9° |
| N06 | C07 | N08 | H071 | 180.0° | 179.6° |
| N06 | C07 | N08 | C09 | 178.6° | 179.7° |
| C07 | N06 | C05 | H051 | 178.8° | 180.0° |
| C07 | N08 | C09 | C10 | 95.2° | 93.7° |
| C07 | N08 | C09 | H092 | 24.5° | 146.3° |
| C07 | N08 | C09 | H091 | 145.0° | 26.3° |
| N08 | C09 | C10 | H092 | 119.7° | 120.0° |
| N08 | C09 | C10 | H091 | 119.7° | 120.1° |
| N08 | C09 | C10 | C11 | 103.7° | 116.3° |
| N08 | C09 | C10 | C12 | 171.0° | 175.1° |
| C09 | N08 | C07 | H071 | 1.4° | 0.1° |
| N08 | C09 | H092 | H091 | 120.9° | 120.0° |
| N08 | C09 | C10 | H101 | 42.3° | 29.4° |
| C09 | C10 | C11 | C12 | 105.9° | 107.5° |
| C09 | C10 | C11 | H101 | 146.0° | 145.0° |
| C09 | C10 | C12 | H101 | 146.6° | 145.0° |
| C10 | C09 | H092 | H091 | 120.9° | 120.0° |
| C09 | C10 | C11 | H111 | 3.5° | 0.0° |
| C09 | C10 | C11 | H112 | 144.7° | 145.0° |
| C09 | C10 | C12 | H122 | 4.1° | 145.0° |
| C09 | C10 | C12 | H121 | 145.4° | 0.0° |
| C10 | C11 | C12 | H111 | 109.4° | 107.5° |
| C10 | C11 | C12 | H112 | 109.4° | 107.5° |
| C11 | C10 | C12 | H101 | 108.1° | 107.5° |
| C11 | C10 | C09 | H092 | 136.5° | 3.7° |
| C11 | C10 | C09 | H091 | 16.0° | 123.6° |
| C10 | C11 | H111 | H112 | 144.8° | 145.7° |
| C10 | C11 | C12 | H122 | 109.4° | 107.5° |
| C10 | C11 | C12 | H121 | 109.4° | 107.5° |
| C12 | C11 | H111 | H112 | 144.9° | 145.7° |
| C11 | C12 | H122 | H121 | 144.9° | 145.7° |
| C12 | C10 | C09 | H092 | 69.2° | 65.0° |
| C12 | C10 | C09 | H091 | 51.3° | 55.0° |
| C10 | C12 | H122 | H121 | 144.9° | 145.6° |
| H092 | C09 | C10 | H101 | 77.4° | 149.3° |
| H091 | C09 | C10 | H101 | 162.0° | 90.7° |
| H101 | C10 | C11 | H111 | 142.5° | 145.0° |
| H101 | C10 | C11 | H112 | 1.3° | 0.0° |
| H101 | C10 | C12 | H122 | 142.4° | 0.0° |
| H101 | C10 | C12 | H121 | 1.2° | 145.0° |
| H111 | C11 | C12 | H122 | 0.0° | 145.0° |
| H111 | C11 | C12 | H121 | 141.2° | 0.0° |
| H112 | C11 | C12 | H122 | 141.2° | 0.0° |
| H112 | C11 | C12 | H121 | 0.0° | 145.0° |
