A1H36
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O03 | C03 | sing | 1.44Å | 1.38Å | |
O03 | C06 | sing | 1.43Å | 1.35Å | |
O04 | C04 | sing | 1.43Å | 1.39Å | |
C03 | C04 | sing | 1.55Å | 1.45Å | |
C03 | C02 | sing | 1.55Å | 1.50Å | |
C06 | C05 | sing | 1.55Å | 1.45Å | |
C04 | C05 | sing | 1.56Å | 1.51Å | |
C02 | N01 | sing | 1.47Å | 1.45Å | |
C05 | C01 | sing | 1.54Å | 1.52Å | |
N01 | C01 | sing | 1.47Å | 1.44Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
N01 | H10 | sing | 1.01Å | 1.00Å | |
O04 | H12 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C03 | O03 | C06 | 108.3° | 109.4° |
O03 | C03 | C04 | 107.3° | 104.3° |
O03 | C03 | C02 | 110.1° | 107.3° |
O03 | C03 | H5 | 112.2° | 113.2° |
O03 | C06 | C05 | 106.9° | 107.1° |
O03 | C06 | H8 | 110.1° | 109.9° |
O03 | C06 | H9 | 110.1° | 110.1° |
O04 | C04 | C03 | 111.5° | 111.4° |
O04 | C04 | C05 | 115.3° | 111.5° |
O04 | C04 | H6 | 111.7° | 111.3° |
C04 | O04 | H12 | 109.5° | 114.0° |
C04 | C03 | C02 | 105.6° | 106.4° |
C03 | C04 | C05 | 96.6° | 99.3° |
C04 | C03 | H5 | 111.0° | 112.6° |
C03 | C04 | H6 | 110.9° | 111.4° |
C03 | C02 | N01 | 113.5° | 109.2° |
C03 | C02 | H3 | 108.4° | 109.7° |
C03 | C02 | H4 | 108.5° | 109.5° |
C02 | C03 | H5 | 110.3° | 112.5° |
C06 | C05 | C04 | 101.3° | 101.5° |
C06 | C05 | C01 | 107.3° | 106.8° |
C06 | C05 | H7 | 113.1° | 114.5° |
C05 | C06 | H8 | 110.1° | 109.8° |
C05 | C06 | H9 | 110.1° | 109.9° |
C04 | C05 | C01 | 110.3° | 105.9° |
C05 | C04 | H6 | 110.0° | 111.4° |
C04 | C05 | H7 | 112.2° | 113.6° |
C02 | N01 | C01 | 114.3° | 112.3° |
N01 | C02 | H3 | 108.5° | 109.5° |
N01 | C02 | H4 | 108.5° | 109.5° |
C02 | N01 | H10 | 108.2° | 111.0° |
C05 | C01 | N01 | 114.5° | 108.9° |
C05 | C01 | H1 | 108.2° | 109.6° |
C05 | C01 | H2 | 108.2° | 109.6° |
C01 | C05 | H7 | 112.1° | 113.5° |
N01 | C01 | H1 | 108.2° | 109.6° |
N01 | C01 | H2 | 108.2° | 109.6° |
C01 | N01 | H10 | 108.3° | 111.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
H3 | C02 | H4 | 109.5° | 109.5° |
H8 | C06 | H9 | 109.5° | 109.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O03 | C03 | C04 | O04 | 81.2° | 76.2° |
O03 | C03 | C04 | C02 | 117.4° | 113.2° |
O03 | C03 | C04 | H5 | 122.9° | 123.1° |
O03 | C03 | C02 | H5 | 124.4° | 125.1° |
C03 | O03 | C06 | C05 | 7.6° | 1.8° |
O03 | C03 | C04 | C05 | 39.2° | 41.3° |
O03 | C03 | C02 | N01 | 50.1° | 46.2° |
O03 | C03 | C02 | H3 | 70.5° | 73.8° |
O03 | C03 | C02 | H4 | 170.7° | 166.0° |
O03 | C03 | C04 | H6 | 153.6° | 158.8° |
C03 | O03 | C06 | H8 | 112.0° | 117.5° |
C03 | O03 | C06 | H9 | 127.2° | 121.3° |
C06 | O03 | C03 | C04 | 21.6° | 27.7° |
C06 | O03 | C03 | C02 | 92.9° | 84.9° |
O03 | C06 | C05 | H8 | 119.6° | 119.3° |
O03 | C06 | C05 | H9 | 119.6° | 119.6° |
O03 | C06 | C05 | C04 | 32.1° | 24.4° |
O03 | C06 | C05 | C01 | 83.5° | 86.3° |
C06 | O03 | C03 | H5 | 143.8° | 150.4° |
O03 | C06 | C05 | H7 | 152.4° | 147.2° |
O03 | C06 | H8 | H9 | 121.1° | 121.4° |
O04 | C04 | C03 | C05 | 120.5° | 117.6° |
O04 | C04 | C03 | H6 | 125.2° | 125.0° |
O04 | C04 | C03 | C02 | 161.3° | 170.5° |
O04 | C04 | C05 | C06 | 75.9° | 78.8° |
O04 | C04 | C05 | H6 | 127.4° | 125.0° |
O04 | C04 | C05 | C01 | 170.8° | 169.9° |
O04 | C04 | C03 | H5 | 41.7° | 46.9° |
O04 | C04 | C05 | H7 | 45.0° | 44.6° |
C04 | C03 | C02 | H5 | 120.1° | 123.7° |
C03 | C04 | C05 | C06 | 41.7° | 38.8° |
C03 | C04 | C05 | H6 | 115.0° | 117.5° |
C04 | C03 | C02 | N01 | 65.4° | 65.0° |
C03 | C04 | C05 | C01 | 71.7° | 72.6° |
C04 | C03 | C02 | H3 | 174.0° | 175.1° |
C04 | C03 | C02 | H4 | 55.2° | 54.8° |
C03 | C04 | C05 | H7 | 162.5° | 162.1° |
C03 | C04 | O04 | H12 | 180.0° | 61.5° |
C02 | C03 | C04 | C05 | 78.2° | 71.9° |
C03 | C02 | N01 | H3 | 120.6° | 120.0° |
C03 | C02 | N01 | H4 | 120.6° | 119.9° |
C03 | C02 | N01 | C01 | 36.8° | 55.8° |
C03 | C02 | H3 | H4 | 118.2° | 120.2° |
C02 | C03 | C04 | H6 | 36.1° | 45.5° |
C03 | C02 | N01 | H10 | 84.0° | 69.1° |
C06 | C05 | C04 | C01 | 113.4° | 111.3° |
C06 | C05 | C04 | H7 | 120.9° | 123.4° |
C06 | C05 | C01 | H7 | 124.7° | 127.1° |
C06 | C05 | C01 | N01 | 60.4° | 41.3° |
C06 | C05 | C01 | H1 | 178.9° | 161.1° |
C06 | C05 | C01 | H2 | 60.4° | 78.6° |
C06 | C05 | C04 | H6 | 156.7° | 156.3° |
C05 | C06 | H8 | H9 | 121.2° | 121.1° |
C04 | C05 | C01 | H7 | 125.8° | 125.4° |
C04 | C05 | C01 | N01 | 49.1° | 66.3° |
C04 | C05 | C01 | H1 | 71.7° | 53.5° |
C04 | C05 | C01 | H2 | 169.8° | 173.8° |
C05 | C04 | C03 | H5 | 162.2° | 164.5° |
C04 | C05 | C06 | H8 | 87.5° | 143.7° |
C04 | C05 | C06 | H9 | 151.7° | 95.2° |
C05 | C04 | O04 | H12 | 71.2° | 171.4° |
C02 | N01 | C01 | C05 | 29.1° | 56.6° |
C02 | N01 | C01 | H10 | 120.7° | 124.9° |
C02 | N01 | C01 | H1 | 91.6° | 63.3° |
C02 | N01 | C01 | H2 | 149.9° | 176.4° |
N01 | C02 | H3 | H4 | 118.2° | 120.0° |
N01 | C02 | C03 | H5 | 174.5° | 171.3° |
C05 | C01 | N01 | H1 | 120.7° | 119.9° |
C05 | C01 | N01 | H2 | 120.8° | 119.9° |
C05 | C01 | H1 | H2 | 117.7° | 120.3° |
C01 | C05 | C04 | H6 | 43.3° | 44.9° |
C01 | C05 | C06 | H8 | 156.9° | 33.0° |
C01 | C05 | C06 | H9 | 36.1° | 154.1° |
C05 | C01 | N01 | H10 | 91.6° | 68.4° |
N01 | C01 | H1 | H2 | 117.7° | 120.3° |
C01 | N01 | C02 | H3 | 157.3° | 175.9° |
C01 | N01 | C02 | H4 | 83.8° | 64.1° |
N01 | C01 | C05 | H7 | 174.9° | 168.3° |
H1 | C01 | C05 | H7 | 54.2° | 71.8° |
H1 | C01 | N01 | H10 | 147.7° | 171.8° |
H2 | C01 | C05 | H7 | 64.3° | 48.4° |
H2 | C01 | N01 | H10 | 29.2° | 51.5° |
H3 | C02 | C03 | H5 | 53.9° | 51.3° |
H3 | C02 | N01 | H10 | 36.6° | 51.0° |
H4 | C02 | C03 | H5 | 64.9° | 68.9° |
H4 | C02 | N01 | H10 | 155.4° | 171.0° |
H5 | C03 | C04 | H6 | 83.5° | 78.1° |
H6 | C04 | C05 | H7 | 82.5° | 80.4° |
H6 | C04 | O04 | H12 | 55.3° | 63.6° |
H7 | C05 | C06 | H8 | 32.8° | 93.4° |
H7 | C05 | C06 | H9 | 88.1° | 27.6° |