011
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | HAA | sing | 1.09Å | 1.10Å | |
| C5 | HAAA | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | HAB | sing | 1.09Å | 1.10Å | |
| C4 | HABA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | HAU | sing | 1.09Å | 1.10Å | |
| C6 | HAUA | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | HAV | sing | 1.09Å | 1.10Å | |
| C3 | HAVA | sing | 1.09Å | 1.10Å | |
| C7 | N | sing | 1.47Å | 1.47Å | |
| C7 | HAW | sing | 1.09Å | 1.10Å | |
| C7 | HAWA | sing | 1.09Å | 1.10Å | |
| C2 | C | sing | 1.51Å | 1.53Å | |
| C2 | HAX | sing | 1.09Å | 1.10Å | |
| C2 | HAXA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 75.81Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 110.5° | 109.4° |
| C4 | C5 | HAA | 109.1° | 109.5° |
| C4 | C5 | HAAA | 109.1° | 109.5° |
| C5 | C4 | C3 | 111.8° | 109.4° |
| C5 | C4 | HAB | 108.7° | 109.5° |
| C5 | C4 | HABA | 108.7° | 109.5° |
| C6 | C5 | HAA | 109.2° | 109.5° |
| C6 | C5 | HAAA | 109.1° | 109.5° |
| C5 | C6 | C7 | 111.5° | 109.5° |
| C5 | C6 | HAU | 108.8° | 109.5° |
| C5 | C6 | HAUA | 108.8° | 109.5° |
| HAA | C5 | HAAA | 109.8° | 109.5° |
| C3 | C4 | HAB | 108.7° | 109.5° |
| C3 | C4 | HABA | 108.7° | 109.4° |
| C4 | C3 | C2 | 111.5° | 109.5° |
| C4 | C3 | HAV | 108.8° | 109.5° |
| C4 | C3 | HAVA | 108.8° | 109.4° |
| HAB | C4 | HABA | 110.2° | 109.5° |
| O | C | C2 | 120.5° | 120.0° |
| O | C | OXT | 141.8° | 120.0° |
| C7 | C6 | HAU | 108.8° | 109.5° |
| C7 | C6 | HAUA | 108.8° | 109.5° |
| C6 | C7 | N | 110.6° | 109.5° |
| C6 | C7 | HAW | 109.1° | 109.5° |
| C6 | C7 | HAWA | 109.1° | 109.5° |
| HAU | C6 | HAUA | 110.1° | 109.5° |
| C2 | C3 | HAV | 108.8° | 109.5° |
| C2 | C3 | HAVA | 108.8° | 109.5° |
| C3 | C2 | C | 111.9° | 109.5° |
| C3 | C2 | HAX | 108.7° | 109.5° |
| C3 | C2 | HAXA | 108.7° | 109.5° |
| HAV | C3 | HAVA | 110.1° | 109.5° |
| N | C7 | HAW | 109.1° | 109.5° |
| N | C7 | HAWA | 109.1° | 109.5° |
| C7 | N | H | 109.5° | 111.0° |
| C7 | N | H2 | 109.5° | 111.0° |
| HAW | C7 | HAWA | 109.8° | 109.4° |
| C | C2 | HAX | 108.7° | 109.5° |
| C | C2 | HAXA | 108.7° | 109.4° |
| C2 | C | OXT | 21.9° | 120.0° |
| HAX | C2 | HAXA | 110.2° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | HAA | 120.0° | 120.0° |
| C4 | C5 | C6 | HAAA | 120.0° | 120.0° |
| C4 | C5 | HAA | HAAA | 119.6° | 120.0° |
| C5 | C4 | C3 | HAB | 120.0° | 120.0° |
| C5 | C4 | C3 | HABA | 120.0° | 120.0° |
| C5 | C4 | HAB | HABA | 119.0° | 120.0° |
| C4 | C5 | C6 | C7 | 136.3° | 180.0° |
| C4 | C5 | C6 | HAU | 16.3° | 60.0° |
| C4 | C5 | C6 | HAUA | 103.7° | 60.0° |
| C5 | C4 | C3 | C2 | 117.2° | 180.0° |
| C5 | C4 | C3 | HAV | 2.8° | 60.0° |
| C5 | C4 | C3 | HAVA | 122.8° | 60.0° |
| C6 | C5 | HAA | HAAA | 119.6° | 120.0° |
| C6 | C5 | C4 | C3 | 169.9° | 180.0° |
| C6 | C5 | C4 | HAB | 49.9° | 60.0° |
| C6 | C5 | C4 | HABA | 70.1° | 60.0° |
| C5 | C6 | C7 | HAU | 120.0° | 120.0° |
| C5 | C6 | C7 | HAUA | 120.0° | 120.0° |
| C5 | C6 | HAU | HAUA | 119.2° | 120.0° |
| C5 | C6 | C7 | N | 69.0° | 180.0° |
| C5 | C6 | C7 | HAW | 171.0° | 60.0° |
| C5 | C6 | C7 | HAWA | 51.0° | 60.0° |
| HAA | C5 | C4 | C3 | 49.9° | 60.1° |
| HAA | C5 | C4 | HAB | 70.1° | 60.0° |
| HAA | C5 | C4 | HABA | 169.9° | 180.0° |
| HAA | C5 | C6 | C7 | 103.7° | 60.0° |
| HAA | C5 | C6 | HAU | 136.3° | 180.0° |
| HAA | C5 | C6 | HAUA | 16.3° | 60.0° |
| HAAA | C5 | C4 | C3 | 70.1° | 60.0° |
| HAAA | C5 | C4 | HAB | 169.9° | 180.0° |
| HAAA | C5 | C4 | HABA | 49.9° | 59.9° |
| HAAA | C5 | C6 | C7 | 16.3° | 60.0° |
| HAAA | C5 | C6 | HAU | 103.7° | 60.0° |
| HAAA | C5 | C6 | HAUA | 136.4° | 180.0° |
| C3 | C4 | HAB | HABA | 119.1° | 120.0° |
| C4 | C3 | C2 | HAV | 120.0° | 120.1° |
| C4 | C3 | C2 | HAVA | 120.0° | 119.9° |
| C4 | C3 | HAV | HAVA | 119.2° | 120.0° |
| C4 | C3 | C2 | C | 79.3° | 180.0° |
| C4 | C3 | C2 | HAX | 160.7° | 59.9° |
| C4 | C3 | C2 | HAXA | 40.8° | 60.1° |
| HAB | C4 | C3 | C2 | 122.8° | 59.9° |
| HAB | C4 | C3 | HAV | 117.2° | 180.0° |
| HAB | C4 | C3 | HAVA | 2.8° | 60.0° |
| HABA | C4 | C3 | C2 | 2.8° | 60.1° |
| HABA | C4 | C3 | HAV | 122.8° | 60.0° |
| HABA | C4 | C3 | HAVA | 117.2° | 180.0° |
| O | C | C2 | C3 | 50.9° | 0.1° |
| O | C | C2 | OXT | 168.1° | 180.0° |
| O | C | C2 | HAX | 69.1° | 120.0° |
| O | C | C2 | HAXA | 170.9° | 120.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| C7 | C6 | HAU | HAUA | 119.2° | 120.0° |
| C6 | C7 | N | HAW | 120.0° | 120.0° |
| C6 | C7 | N | HAWA | 120.0° | 120.0° |
| C6 | C7 | HAW | HAWA | 119.6° | 120.0° |
| C6 | C7 | N | H | 180.0° | 56.1° |
| C6 | C7 | N | H2 | 60.0° | 180.0° |
| HAU | C6 | C7 | N | 51.0° | 60.0° |
| HAU | C6 | C7 | HAW | 69.0° | 180.0° |
| HAU | C6 | C7 | HAWA | 171.0° | 60.0° |
| HAUA | C6 | C7 | N | 171.0° | 60.0° |
| HAUA | C6 | C7 | HAW | 51.0° | 60.0° |
| HAUA | C6 | C7 | HAWA | 69.0° | 180.0° |
| C2 | C3 | HAV | HAVA | 119.1° | 120.0° |
| C3 | C2 | C | HAX | 120.0° | 120.1° |
| C3 | C2 | C | HAXA | 120.0° | 119.9° |
| C3 | C2 | HAX | HAXA | 119.0° | 120.0° |
| C3 | C2 | C | OXT | 140.9° | 180.0° |
| HAV | C3 | C2 | C | 40.8° | 60.0° |
| HAV | C3 | C2 | HAX | 79.3° | NaN° |
| HAV | C3 | C2 | HAXA | 160.8° | 60.0° |
| HAVA | C3 | C2 | C | 160.7° | 60.1° |
| HAVA | C3 | C2 | HAX | 40.7° | 60.0° |
| HAVA | C3 | C2 | HAXA | 79.2° | 180.0° |
| N | C7 | HAW | HAWA | 119.5° | 120.0° |
| C7 | N | H | H2 | 120.0° | 123.9° |
| HAW | C7 | N | H | 59.9° | 64.0° |
| HAW | C7 | N | H2 | 180.0° | 60.0° |
| HAWA | C7 | N | H | 60.0° | 176.1° |
| HAWA | C7 | N | H2 | 60.0° | 60.0° |
| C | C2 | HAX | HAXA | 119.0° | 120.0° |
| C2 | C | OXT | HXT | 90.0° | 180.0° |
| HAX | C2 | C | OXT | 99.0° | 60.0° |
| HAXA | C2 | C | OXT | 21.0° | 60.0° |
