A1HZ7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.21Å | |
N1 | C1 | sing | 1.34Å | 1.36Å | |
N1 | C13 | sing | 1.34Å | 1.37Å | |
O3 | C13 | doub | 1.21Å | 1.22Å | |
C1 | C2 | sing | 1.51Å | 1.50Å | |
C13 | C4 | sing | 1.50Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
O2 | C4 | sing | 1.43Å | 1.46Å | |
O2 | N2 | sing | 1.42Å | 1.42Å | |
C3 | C4 | sing | 1.52Å | 1.52Å | |
C4 | C5 | sing | 1.54Å | 1.54Å | |
N2 | C6 | doub | 1.29Å | 1.28Å | |
C5 | C6 | sing | 1.52Å | 1.50Å | |
C6 | C7 | sing | 1.48Å | 1.48Å | |
CL1 | C12 | sing | 1.74Å | 1.74Å | |
C7 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C9 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.08Å | 1.08Å | |
C11 | H4 | sing | 1.08Å | 1.08Å | |
N1 | H5 | sing | 0.97Å | 1.00Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C2 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H9 | sing | 1.09Å | 1.10Å | |
C3 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C5 | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | N1 | 118.0° | 119.2° |
O1 | C1 | C2 | 124.4° | 119.1° |
C1 | N1 | C13 | 127.9° | 122.4° |
N1 | C1 | C2 | 117.6° | 121.7° |
C1 | N1 | H5 | 116.1° | 118.8° |
N1 | C13 | O3 | 120.6° | 119.5° |
N1 | C13 | C4 | 118.5° | 121.0° |
C13 | N1 | H5 | 116.0° | 118.9° |
O3 | C13 | C4 | 120.9° | 119.5° |
C1 | C2 | C3 | 114.7° | 109.3° |
C1 | C2 | H7 | 108.2° | 109.5° |
C1 | C2 | H8 | 108.1° | 109.5° |
C13 | C4 | O2 | 107.5° | 111.1° |
C13 | C4 | C3 | 110.2° | 110.8° |
C13 | C4 | C5 | 111.3° | 110.7° |
C2 | C3 | C4 | 115.5° | 108.7° |
C3 | C2 | H7 | 108.1° | 109.5° |
C3 | C2 | H8 | 108.2° | 109.5° |
C2 | C3 | H9 | 107.9° | 109.6° |
C2 | C3 | H10 | 108.0° | 109.6° |
C4 | O2 | N2 | 109.9° | 107.4° |
O2 | C4 | C3 | 106.4° | 110.7° |
O2 | C4 | C5 | 103.2° | 102.6° |
O2 | N2 | C6 | 109.9° | 112.8° |
C3 | C4 | C5 | 117.5° | 110.7° |
C4 | C3 | H9 | 107.9° | 109.6° |
C4 | C3 | H10 | 107.9° | 109.6° |
C4 | C5 | C6 | 102.3° | 102.4° |
C4 | C5 | H11 | 111.2° | 110.8° |
C4 | C5 | H12 | 111.2° | 110.8° |
N2 | C6 | C5 | 113.1° | 108.3° |
N2 | C6 | C7 | 124.0° | 125.8° |
C5 | C6 | C7 | 123.0° | 125.9° |
C6 | C5 | H11 | 111.2° | 110.9° |
C6 | C5 | H12 | 111.3° | 110.8° |
C6 | C7 | C12 | 123.7° | 120.2° |
C6 | C7 | C8 | 119.0° | 120.2° |
CL1 | C12 | C7 | 122.1° | 120.0° |
CL1 | C12 | C11 | 116.8° | 120.1° |
C12 | C7 | C8 | 117.2° | 119.6° |
C7 | C12 | C11 | 121.2° | 119.9° |
C7 | C8 | C9 | 121.6° | 119.9° |
C7 | C8 | H1 | 119.2° | 120.0° |
C12 | C11 | C10 | 119.7° | 120.1° |
C12 | C11 | H4 | 120.1° | 120.0° |
C8 | C9 | C10 | 120.0° | 120.2° |
C9 | C8 | H1 | 119.2° | 120.0° |
C8 | C9 | H2 | 119.9° | 119.9° |
C11 | C10 | C9 | 120.2° | 120.3° |
C11 | C10 | H3 | 119.9° | 119.9° |
C10 | C11 | H4 | 120.2° | 119.9° |
C10 | C9 | H2 | 120.0° | 119.9° |
C9 | C10 | H3 | 119.9° | 119.8° |
H7 | C2 | H8 | 109.4° | 109.5° |
H9 | C3 | H10 | 109.5° | 109.7° |
H11 | C5 | H12 | 109.5° | 110.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | N1 | C2 | 177.4° | 179.9° |
O1 | C1 | N1 | C13 | 180.0° | 178.4° |
O1 | C1 | C2 | C3 | 165.4° | 150.3° |
O1 | C1 | N1 | H5 | 0.0° | 1.6° |
O1 | C1 | C2 | H7 | 73.8° | 30.4° |
O1 | C1 | C2 | H8 | 44.6° | 89.7° |
C1 | N1 | C13 | H5 | 180.0° | 180.0° |
C1 | N1 | C13 | O3 | 172.0° | 180.0° |
C1 | N1 | C13 | C4 | 8.4° | 0.2° |
N1 | C1 | C2 | C3 | 11.8° | 29.6° |
N1 | C1 | C2 | H7 | 109.0° | 149.6° |
N1 | C1 | C2 | H8 | 132.6° | 90.3° |
N1 | C13 | O3 | C4 | 179.6° | 179.8° |
C13 | N1 | C1 | C2 | 2.6° | 1.5° |
N1 | C13 | C4 | O2 | 147.5° | 96.0° |
N1 | C13 | C4 | C3 | 32.0° | 27.5° |
N1 | C13 | C4 | C5 | 100.1° | 150.7° |
O3 | C13 | C4 | O2 | 32.8° | 83.8° |
O3 | C13 | C4 | C3 | 148.4° | 152.7° |
O3 | C13 | C4 | C5 | 79.5° | 29.5° |
O3 | C13 | N1 | H5 | 8.0° | 0.0° |
C1 | C2 | C3 | H7 | 120.8° | 119.9° |
C1 | C2 | C3 | H8 | 120.8° | 119.9° |
C1 | C2 | C3 | C4 | 37.0° | 54.2° |
C2 | C1 | N1 | H5 | 177.4° | 178.4° |
C1 | C2 | H7 | H8 | 117.6° | 120.1° |
C1 | C2 | C3 | H9 | 157.9° | 65.6° |
C1 | C2 | C3 | H10 | 83.8° | 174.0° |
C13 | C4 | C3 | C2 | 45.8° | 53.7° |
C13 | C4 | O2 | C3 | 118.0° | 123.6° |
C13 | C4 | O2 | C5 | 117.7° | 118.3° |
C13 | C4 | O2 | N2 | 107.1° | 93.8° |
C13 | C4 | C3 | C5 | 128.8° | 123.2° |
C13 | C4 | C5 | C6 | 102.9° | 95.2° |
C4 | C13 | N1 | H5 | 171.6° | 179.8° |
C13 | C4 | C3 | H9 | 166.7° | 66.0° |
C13 | C4 | C3 | H10 | 75.1° | 173.5° |
C13 | C4 | C5 | H11 | 16.0° | 23.1° |
C13 | C4 | C5 | H12 | 138.3° | 146.6° |
C2 | C3 | C4 | O2 | 162.0° | 70.0° |
C2 | C3 | C4 | H9 | 120.9° | 119.8° |
C2 | C3 | C4 | H10 | 120.9° | 119.7° |
C2 | C3 | C4 | C5 | 83.0° | 176.9° |
C3 | C2 | H7 | H8 | 117.6° | 120.1° |
C2 | C3 | H9 | H10 | 117.3° | 120.4° |
O2 | C4 | C3 | C5 | 115.0° | 113.1° |
C4 | O2 | N2 | C6 | 4.4° | 16.8° |
O2 | C4 | C5 | C6 | 12.2° | 23.4° |
O2 | C4 | C3 | H9 | 77.1° | 170.2° |
O2 | C4 | C3 | H10 | 41.2° | 49.7° |
O2 | C4 | C5 | H11 | 131.0° | 141.7° |
O2 | C4 | C5 | H12 | 106.7° | 94.8° |
N2 | O2 | C4 | C3 | 134.9° | 142.7° |
N2 | O2 | C4 | C5 | 10.7° | 24.5° |
O2 | N2 | C6 | C5 | 4.5° | 0.3° |
O2 | N2 | C6 | C7 | 173.3° | 179.7° |
C3 | C4 | C5 | C6 | 128.9° | 141.5° |
C4 | C3 | C2 | H7 | 83.8° | 174.1° |
C4 | C3 | C2 | H8 | 157.8° | 65.7° |
C4 | C3 | H9 | H10 | 117.2° | 120.4° |
C3 | C4 | C5 | H11 | 112.3° | 100.2° |
C3 | C4 | C5 | H12 | 10.0° | 23.3° |
C4 | C5 | C6 | N2 | 10.8° | 14.7° |
C4 | C5 | C6 | H11 | 118.8° | 118.2° |
C4 | C5 | C6 | H12 | 118.8° | 118.2° |
C4 | C5 | C6 | C7 | 167.0° | 165.3° |
C5 | C4 | C3 | H9 | 37.9° | 57.2° |
C5 | C4 | C3 | H10 | 156.1° | 63.3° |
C4 | C5 | H11 | H12 | 123.3° | 123.5° |
N2 | C6 | C5 | C7 | 177.8° | 180.0° |
N2 | C6 | C7 | C12 | 2.7° | 0.0° |
N2 | C6 | C7 | C8 | 179.3° | 180.0° |
N2 | C6 | C5 | H11 | 129.6° | 133.0° |
N2 | C6 | C5 | H12 | 108.0° | 103.5° |
C5 | C6 | C7 | C12 | 174.9° | 180.0° |
C5 | C6 | C7 | C8 | 3.1° | 0.0° |
C6 | C5 | H11 | H12 | 123.4° | 123.5° |
C6 | C7 | C12 | CL1 | 0.5° | 0.2° |
C6 | C7 | C12 | C8 | 178.0° | 180.0° |
C6 | C7 | C12 | C11 | 179.6° | 180.0° |
C6 | C7 | C8 | C9 | 179.9° | 180.0° |
C6 | C7 | C8 | H1 | 0.2° | 0.0° |
C7 | C6 | C5 | H11 | 48.2° | 47.0° |
C7 | C6 | C5 | H12 | 74.2° | 76.5° |
CL1 | C12 | C7 | C11 | 179.8° | 179.8° |
CL1 | C12 | C7 | C8 | 178.5° | 179.7° |
CL1 | C12 | C11 | C10 | 179.5° | 179.7° |
CL1 | C12 | C11 | H4 | 0.5° | 0.3° |
C12 | C7 | C8 | C9 | 2.1° | 0.0° |
C7 | C12 | C11 | C10 | 0.6° | 0.1° |
C12 | C7 | C8 | H1 | 177.9° | 180.0° |
C7 | C12 | C11 | H4 | 179.4° | 180.0° |
C8 | C7 | C12 | C11 | 1.7° | 0.0° |
C7 | C8 | C9 | H1 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 1.4° | 0.0° |
C7 | C8 | C9 | H2 | 178.6° | 180.0° |
C12 | C11 | C10 | H4 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 0.1° | 0.0° |
C12 | C11 | C10 | H3 | 179.9° | 180.0° |
C8 | C9 | C10 | C11 | 0.3° | 0.0° |
C8 | C9 | C10 | H2 | 180.0° | 180.0° |
C8 | C9 | C10 | H3 | 179.7° | 180.0° |
C11 | C10 | C9 | H3 | 180.0° | 180.0° |
C11 | C10 | C9 | H2 | 179.7° | 180.0° |
C10 | C9 | C8 | H1 | 178.6° | 180.0° |
C9 | C10 | C11 | H4 | 179.9° | 180.0° |
H1 | C8 | C9 | H2 | 1.4° | 0.0° |
H2 | C9 | C10 | H3 | 0.2° | 0.0° |
H3 | C10 | C11 | H4 | 0.1° | 0.0° |
H7 | C2 | C3 | H9 | 37.1° | 54.3° |
H7 | C2 | C3 | H10 | 155.4° | 66.1° |
H8 | C2 | C3 | H9 | 81.4° | 174.5° |
H8 | C2 | C3 | H10 | 36.9° | 54.0° |