HPT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C5 | doub | 1.35Å | 1.37Å | |
| C3 | C2 | sing | 1.42Å | 1.47Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C5 | N1 | sing | 1.37Å | 1.40Å | |
| C5 | C11 | sing | 1.51Å | 1.50Å | |
| C1 | N1 | sing | 1.35Å | 1.41Å | |
| C1 | N2 | sing | 1.35Å | 1.42Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.35Å | 1.43Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| O3 | C13 | sing | 1.43Å | 1.45Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | C3 | 126.9° | 120.3° |
| O2 | C2 | N2 | 113.4° | 120.3° |
| C4 | C3 | C5 | 121.6° | 120.5° |
| C4 | C3 | C2 | 117.2° | 120.4° |
| C3 | C4 | H43 | 121.5° | 109.5° |
| C3 | C4 | H42 | 107.9° | 109.5° |
| C3 | C4 | H41 | 107.9° | 109.4° |
| C5 | C3 | C2 | 121.2° | 119.1° |
| C3 | C5 | N1 | 119.7° | 119.7° |
| C3 | C5 | C11 | 122.5° | 120.1° |
| C3 | C2 | N2 | 117.7° | 119.4° |
| H43 | C4 | H42 | 107.9° | 109.5° |
| H43 | C4 | H41 | 107.9° | 109.5° |
| H42 | C4 | H41 | 102.0° | 109.5° |
| N1 | C5 | C11 | 117.8° | 120.1° |
| C5 | N1 | C1 | 122.3° | 120.6° |
| C5 | N1 | H1 | 107.6° | 119.7° |
| C5 | C11 | C12 | 118.7° | 109.5° |
| C5 | C11 | H112 | 108.9° | 109.5° |
| C5 | C11 | H111 | 108.9° | 109.5° |
| N1 | C1 | N2 | 118.5° | 120.9° |
| N1 | C1 | O1 | 120.2° | 119.5° |
| C1 | N1 | H1 | 107.6° | 119.6° |
| N2 | C1 | O1 | 121.3° | 119.5° |
| C1 | N2 | C2 | 120.6° | 120.3° |
| C1 | N2 | H2 | 119.3° | 119.8° |
| C2 | N2 | H2 | 120.1° | 119.9° |
| C13 | O3 | H3 | 108.1° | 106.9° |
| O3 | C13 | C12 | 108.1° | 109.5° |
| O3 | C13 | H132 | 112.7° | 109.4° |
| O3 | C13 | H131 | 112.7° | 109.4° |
| C12 | C11 | H112 | 108.9° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.5° |
| C11 | C12 | C13 | 111.8° | 109.5° |
| C11 | C12 | H122 | 111.3° | 109.5° |
| C11 | C12 | H121 | 111.3° | 109.5° |
| H112 | C11 | H111 | 101.2° | 109.4° |
| C13 | C12 | H122 | 111.4° | 109.5° |
| C13 | C12 | H121 | 111.4° | 109.5° |
| C12 | C13 | H132 | 112.7° | 109.4° |
| C12 | C13 | H131 | 112.7° | 109.5° |
| H122 | C12 | H121 | 99.0° | 109.4° |
| H132 | C13 | H131 | 97.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | C3 | C4 | 17.6° | 0.3° |
| O2 | C2 | C3 | C5 | 163.4° | 180.0° |
| O2 | C2 | C3 | N2 | 162.7° | 179.5° |
| O2 | C2 | N2 | C1 | 165.3° | 180.0° |
| O2 | C2 | N2 | H2 | 14.7° | 0.2° |
| C4 | C3 | C5 | C2 | 179.0° | 179.7° |
| C3 | C4 | H43 | H42 | 125.2° | 120.0° |
| C3 | C4 | H43 | H41 | 125.2° | 120.0° |
| C3 | C4 | H42 | H41 | 113.5° | 119.9° |
| C4 | C3 | C5 | N1 | 179.9° | 180.0° |
| C4 | C3 | C5 | C11 | 0.9° | 0.1° |
| C4 | C3 | C2 | N2 | 179.8° | 179.8° |
| C5 | C3 | C4 | H43 | 180.0° | 180.0° |
| C5 | C3 | C4 | H42 | 54.7° | 59.9° |
| C5 | C3 | C4 | H41 | 54.8° | 60.0° |
| C3 | C5 | N1 | C11 | 179.2° | 179.9° |
| C3 | C5 | N1 | C1 | 0.8° | 0.0° |
| C3 | C5 | N1 | H1 | 126.0° | 180.0° |
| C5 | C3 | C2 | N2 | 0.8° | 0.5° |
| C3 | C5 | C11 | C12 | 88.6° | 90.0° |
| C3 | C5 | C11 | H112 | 146.1° | 150.0° |
| C3 | C5 | C11 | H111 | 36.6° | 30.0° |
| C2 | C3 | C4 | H43 | 1.0° | 0.3° |
| C2 | C3 | C4 | H42 | 124.3° | 119.8° |
| C2 | C3 | C4 | H41 | 126.2° | 120.2° |
| C2 | C3 | C5 | N1 | 1.0° | 0.3° |
| C2 | C3 | C5 | C11 | 179.8° | 179.8° |
| C3 | C2 | N2 | C1 | 0.3° | 0.5° |
| C3 | C2 | N2 | H2 | 179.7° | 179.7° |
| H43 | C4 | H42 | H41 | 113.6° | 120.0° |
| C5 | N1 | C1 | H1 | 125.2° | 180.0° |
| C5 | N1 | C1 | N2 | 0.3° | 0.0° |
| C5 | N1 | C1 | O1 | 179.8° | 180.0° |
| N1 | C5 | C11 | C12 | 92.2° | 90.0° |
| N1 | C5 | C11 | H112 | 33.1° | 30.0° |
| N1 | C5 | C11 | H111 | 142.6° | 150.0° |
| C11 | C5 | N1 | C1 | 180.0° | 180.0° |
| C11 | C5 | N1 | H1 | 54.8° | 0.0° |
| C5 | C11 | C12 | H112 | 125.2° | 120.0° |
| C5 | C11 | C12 | H111 | 125.2° | 120.0° |
| C5 | C11 | H112 | H111 | 114.6° | 120.0° |
| C5 | C11 | C12 | C13 | 163.2° | 180.0° |
| C5 | C11 | C12 | H122 | 71.5° | 60.0° |
| C5 | C11 | C12 | H121 | 38.0° | 60.0° |
| N1 | C1 | N2 | O1 | 179.9° | 180.0° |
| N1 | C1 | N2 | C2 | 0.1° | 0.2° |
| N1 | C1 | N2 | H2 | 179.9° | 180.0° |
| N2 | C1 | N1 | H1 | 125.5° | 180.0° |
| C1 | N2 | C2 | H2 | 180.0° | 179.8° |
| O1 | C1 | N1 | H1 | 54.6° | 0.0° |
| O1 | C1 | N2 | C2 | 180.0° | 179.8° |
| O1 | C1 | N2 | H2 | 0.0° | 0.0° |
| O3 | C13 | C12 | C11 | 98.1° | 180.0° |
| O3 | C13 | C12 | H132 | 125.2° | 120.0° |
| O3 | C13 | C12 | H131 | 125.2° | 120.0° |
| O3 | C13 | C12 | H122 | 136.6° | 60.0° |
| O3 | C13 | C12 | H121 | 27.1° | 59.9° |
| O3 | C13 | H132 | H131 | 118.7° | 119.9° |
| H3 | O3 | C13 | C12 | 180.0° | 180.0° |
| H3 | O3 | C13 | H132 | 54.8° | 60.0° |
| H3 | O3 | C13 | H131 | 54.7° | 59.9° |
| C12 | C11 | H112 | H111 | 114.7° | 119.9° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | H122 | H121 | 117.2° | 119.9° |
| C11 | C12 | C13 | H132 | 136.6° | 60.0° |
| C11 | C12 | C13 | H131 | 27.1° | 60.0° |
| H112 | C11 | C12 | C13 | 38.0° | 60.0° |
| H112 | C11 | C12 | H122 | 163.3° | 180.0° |
| H112 | C11 | C12 | H121 | 87.3° | 60.1° |
| H111 | C11 | C12 | C13 | 71.5° | 59.9° |
| H111 | C11 | C12 | H122 | 53.7° | 60.1° |
| H111 | C11 | C12 | H121 | 163.2° | 180.0° |
| C13 | C12 | H122 | H121 | 117.3° | 120.0° |
| C12 | C13 | H132 | H131 | 118.7° | 120.0° |
| H122 | C12 | C13 | H132 | 11.4° | 180.0° |
| H122 | C12 | C13 | H131 | 98.2° | 60.0° |
| H121 | C12 | C13 | H132 | 98.2° | 60.0° |
| H121 | C12 | C13 | H131 | 152.3° | 180.0° |
