TAM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | C1 | sing | 1.55Å | 1.55Å | |
C | C2 | sing | 1.55Å | 1.49Å | |
C | C3 | sing | 1.55Å | 1.51Å | |
C | N | sing | 1.47Å | 1.41Å | |
C1 | C4 | sing | 1.53Å | 1.50Å | |
C1 | H11 | sing | 1.10Å | 1.11Å | |
C1 | H12 | sing | 1.10Å | 1.12Å | |
C2 | C5 | sing | 1.53Å | 1.40Å | |
C2 | H21 | sing | 1.10Å | 1.11Å | |
C2 | H22 | sing | 1.10Å | 1.11Å | |
C3 | C6 | sing | 1.53Å | 1.41Å | |
C3 | H31 | sing | 1.10Å | 1.12Å | |
C3 | H32 | sing | 1.10Å | 1.12Å | |
C4 | O4 | sing | 1.42Å | 42.34Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | O5 | sing | 1.42Å | 40.64Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | O6 | sing | 1.42Å | 40.24Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
N | HN1 | sing | 0.99Å | 1.02Å | |
N | HN2 | sing | 0.99Å | 1.02Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C | C2 | 105.5° | 107.7° |
C1 | C | C3 | 134.2° | 112.6° |
C1 | C | N | 97.1° | 109.1° |
C | C1 | C4 | 131.7° | 116.3° |
C | C1 | H11 | 104.5° | 109.6° |
C | C1 | H12 | 104.5° | 109.8° |
C2 | C | C3 | 102.2° | 112.5° |
C2 | C | N | 107.2° | 107.7° |
C | C2 | C5 | 104.3° | 115.9° |
C | C2 | H21 | 114.2° | 110.1° |
C | C2 | H22 | 114.2° | 109.6° |
C3 | C | N | 108.7° | 107.1° |
C | C3 | C6 | 106.4° | 115.2° |
C | C3 | H31 | 113.3° | 110.4° |
C | C3 | H32 | 113.4° | 110.3° |
C | N | HN1 | 117.0° | 117.4° |
C | N | HN2 | 97.1° | 117.3° |
C4 | C1 | H11 | 104.5° | 108.0° |
C4 | C1 | H12 | 104.5° | 108.3° |
C1 | C4 | O4 | 52.7° | 108.4° |
C1 | C4 | H41 | 139.4° | 111.6° |
C1 | C4 | H42 | 139.4° | 111.6° |
H11 | C1 | H12 | 104.4° | 104.1° |
C5 | C2 | H21 | 114.2° | 108.4° |
C5 | C2 | H22 | 114.2° | 108.0° |
C2 | C5 | O5 | 89.0° | 108.5° |
C2 | C5 | H51 | 120.5° | 111.6° |
C2 | C5 | H52 | 120.4° | 111.5° |
H21 | C2 | H22 | 96.3° | 104.2° |
C6 | C3 | H31 | 113.4° | 108.3° |
C6 | C3 | H32 | 113.4° | 108.4° |
C3 | C6 | O6 | 94.5° | 108.5° |
C3 | C6 | H61 | 118.1° | 111.5° |
C3 | C6 | H62 | 118.1° | 111.5° |
H31 | C3 | H32 | 97.1° | 103.6° |
O4 | C4 | H41 | 139.4° | 107.8° |
O4 | C4 | H42 | 139.4° | 108.0° |
C4 | O4 | HO4 | 52.7° | 106.6° |
H41 | C4 | H42 | 64.2° | 109.3° |
O5 | C5 | H51 | 120.4° | 108.1° |
O5 | C5 | H52 | 120.5° | 107.8° |
C5 | O5 | HO5 | 89.0° | 106.7° |
H51 | C5 | H52 | 89.5° | 109.2° |
O6 | C6 | H61 | 118.1° | 108.0° |
O6 | C6 | H62 | 118.1° | 107.9° |
C6 | O6 | HO6 | 94.5° | 106.7° |
H61 | C6 | H62 | 92.1° | 109.3° |
HN1 | N | HN2 | 117.1° | 123.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C | C2 | C3 | 143.1° | 124.7° |
C1 | C | C2 | N | 102.7° | 117.5° |
C1 | C | C3 | N | 120.7° | 119.9° |
C | C1 | C4 | H11 | 125.3° | 123.6° |
C | C1 | C4 | H12 | 125.3° | 124.2° |
C | C1 | H11 | H12 | 109.5° | 117.4° |
C1 | C | C2 | C5 | 43.8° | 176.6° |
C1 | C | C2 | H21 | 169.1° | 60.0° |
C1 | C | C2 | H22 | 81.4° | 54.0° |
C1 | C | C3 | C6 | 55.8° | 63.0° |
C1 | C | C3 | H31 | 69.5° | 60.0° |
C1 | C | C3 | H32 | 178.9° | 174.0° |
C | C1 | C4 | O4 | 66.3° | 178.6° |
C | C1 | C4 | H41 | 168.4° | 60.0° |
C | C1 | C4 | H42 | 59.0° | 62.6° |
C1 | C | N | HN1 | 54.7° | 61.2° |
C1 | C | N | HN2 | 180.0° | 132.3° |
C2 | C | C3 | N | 113.1° | 118.1° |
C2 | C | C1 | C4 | 144.7° | 177.2° |
C2 | C | C1 | H11 | 90.0° | 60.0° |
C2 | C | C1 | H12 | 19.4° | 53.8° |
C | C2 | C5 | H21 | 125.3° | 124.3° |
C | C2 | C5 | H22 | 125.3° | 123.4° |
C | C2 | H21 | H22 | 120.1° | 117.4° |
C2 | C | C3 | C6 | 178.0° | 59.0° |
C2 | C | C3 | H31 | 56.7° | 178.0° |
C2 | C | C3 | H32 | 52.7° | 64.1° |
C | C2 | C5 | O5 | 82.5° | 179.0° |
C | C2 | C5 | H51 | 152.2° | 60.0° |
C | C2 | C5 | H52 | 42.8° | 62.4° |
C2 | C | N | HN1 | 53.9° | 177.9° |
C2 | C | N | HN2 | 71.4° | 15.6° |
C3 | C | C1 | C4 | 19.7° | 52.6° |
C3 | C | C1 | H11 | 144.9° | 175.3° |
C3 | C | C1 | H12 | 105.6° | 70.8° |
C3 | C | C2 | C5 | 173.1° | 58.7° |
C3 | C | C2 | H21 | 47.8° | 64.7° |
C3 | C | C2 | H22 | 61.6° | 178.7° |
C | C3 | C6 | H31 | 125.2° | 124.1° |
C | C3 | C6 | H32 | 125.3° | 124.1° |
C | C3 | H31 | H32 | 119.3° | 118.1° |
C | C3 | C6 | O6 | 91.1° | 178.8° |
C | C3 | C6 | H61 | 34.1° | 60.1° |
C | C3 | C6 | H62 | 143.6° | 62.4° |
C3 | C | N | HN1 | 163.7° | 60.9° |
C3 | C | N | HN2 | 38.4° | 105.6° |
N | C | C1 | C4 | 105.2° | 66.1° |
N | C | C1 | H11 | 20.0° | 56.6° |
N | C | C1 | H12 | 129.5° | 170.4° |
N | C | C2 | C5 | 58.8° | 59.0° |
N | C | C2 | H21 | 66.4° | 177.5° |
N | C | C2 | H22 | 175.9° | 63.5° |
N | C | C3 | C6 | 64.9° | 177.1° |
N | C | C3 | H31 | 169.8° | 59.9° |
N | C | C3 | H32 | 60.3° | 54.1° |
C | N | HN1 | HN2 | 114.6° | 165.6° |
C4 | C1 | H11 | H12 | 109.5° | 115.0° |
C1 | C4 | O4 | H41 | 125.3° | 120.9° |
C1 | C4 | O4 | H42 | 125.3° | 121.1° |
C1 | C4 | H41 | H42 | 137.0° | 123.9° |
C1 | C4 | O4 | HO4 | 180.0° | 140.6° |
H11 | C1 | C4 | O4 | 59.0° | 57.8° |
H11 | C1 | C4 | H41 | 66.4° | 176.4° |
H11 | C1 | C4 | H42 | 175.8° | 61.0° |
H12 | C1 | C4 | O4 | 168.4° | 54.4° |
H12 | C1 | C4 | H41 | 43.1° | 64.2° |
H12 | C1 | C4 | H42 | 66.3° | 173.2° |
C5 | C2 | H21 | H22 | 120.1° | 114.9° |
C2 | C5 | O5 | H51 | 125.3° | 121.2° |
C2 | C5 | O5 | H52 | 125.3° | 120.9° |
C2 | C5 | H51 | H52 | 125.6° | 123.7° |
C2 | C5 | O5 | HO5 | 180.0° | 167.7° |
H21 | C2 | C5 | O5 | 42.7° | 56.7° |
H21 | C2 | C5 | H51 | 82.5° | 175.7° |
H21 | C2 | C5 | H52 | 168.0° | 61.9° |
H22 | C2 | C5 | O5 | 152.2° | 55.6° |
H22 | C2 | C5 | H51 | 26.9° | 63.3° |
H22 | C2 | C5 | H52 | 82.5° | 174.2° |
C6 | C3 | H31 | H32 | 119.3° | 114.9° |
C3 | C6 | O6 | H61 | 125.3° | 121.0° |
C3 | C6 | O6 | H62 | 125.3° | 121.0° |
C3 | C6 | H61 | H62 | 123.6° | 123.8° |
C3 | C6 | O6 | HO6 | 180.0° | 57.8° |
H31 | C3 | C6 | O6 | 143.6° | 54.7° |
H31 | C3 | C6 | H61 | 91.1° | 64.0° |
H31 | C3 | C6 | H62 | 18.3° | 173.5° |
H32 | C3 | C6 | O6 | 34.1° | 57.1° |
H32 | C3 | C6 | H61 | 159.4° | 175.8° |
H32 | C3 | C6 | H62 | 91.1° | 61.7° |
O4 | C4 | H41 | H42 | 137.0° | 117.2° |
H41 | C4 | O4 | HO4 | 54.8° | 19.7° |
H42 | C4 | O4 | HO4 | 54.7° | 98.4° |
O5 | C5 | H51 | H52 | 125.6° | 117.1° |
H51 | C5 | O5 | HO5 | 54.7° | 71.1° |
H52 | C5 | O5 | HO5 | 54.8° | 46.8° |
O6 | C6 | H61 | H62 | 123.7° | 117.1° |
H61 | C6 | O6 | HO6 | 54.7° | 178.8° |
H62 | C6 | O6 | HO6 | 54.7° | 63.2° |