HLF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C11 | sing | 1.51Å | 1.52Å | |
C10 | C09 | sing | 1.53Å | 1.53Å | |
C11 | C12 | doub | 1.31Å | 1.32Å | |
C09 | N03 | sing | 1.46Å | 1.46Å | |
N03 | C02 | sing | 1.35Å | 1.32Å | Aromatic |
N03 | C04 | sing | 1.37Å | 1.33Å | Aromatic |
C02 | C01 | doub | 1.36Å | 1.39Å | Aromatic |
O08 | C06 | doub | 1.21Å | 1.27Å | |
C04 | C06 | sing | 1.47Å | 1.52Å | |
C04 | N05 | doub | 1.32Å | 1.33Å | Aromatic |
C06 | O07 | sing | 1.35Å | 1.26Å | |
C01 | N05 | sing | 1.33Å | 1.32Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
O07 | H3 | sing | 0.97Å | 0.95Å | |
C09 | H4 | sing | 1.09Å | 1.10Å | |
C09 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.08Å | 1.08Å | |
C12 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | C09 | 111.9° | 109.5° |
C10 | C11 | C12 | 119.8° | 120.0° |
C11 | C10 | H6 | 108.9° | 109.5° |
C11 | C10 | H7 | 108.9° | 109.5° |
C10 | C11 | H8 | 120.1° | 120.0° |
C10 | C09 | N03 | 108.5° | 109.5° |
C10 | C09 | H4 | 109.7° | 109.5° |
C10 | C09 | H5 | 109.7° | 109.5° |
C09 | C10 | H6 | 108.8° | 109.5° |
C09 | C10 | H7 | 108.9° | 109.5° |
C12 | C11 | H8 | 120.1° | 120.0° |
C11 | C12 | H9 | 120.0° | 120.0° |
C11 | C12 | H10 | 120.0° | 120.0° |
C09 | N03 | C02 | 125.9° | 126.5° |
C09 | N03 | C04 | 126.2° | 126.4° |
N03 | C09 | H4 | 109.7° | 109.5° |
N03 | C09 | H5 | 109.7° | 109.5° |
C02 | N03 | C04 | 107.9° | 107.1° |
N03 | C02 | C01 | 107.6° | 107.2° |
N03 | C02 | H2 | 126.2° | 126.4° |
N03 | C04 | C06 | 125.6° | 125.9° |
N03 | C04 | N05 | 109.3° | 108.3° |
C02 | C01 | N05 | 106.4° | 108.3° |
C02 | C01 | H1 | 126.8° | 125.8° |
C01 | C02 | H2 | 126.2° | 126.4° |
O08 | C06 | C04 | 120.1° | 120.0° |
O08 | C06 | O07 | 120.6° | 120.0° |
C06 | C04 | N05 | 125.1° | 125.9° |
C04 | C06 | O07 | 119.4° | 120.0° |
C04 | N05 | C01 | 108.8° | 109.1° |
C06 | O07 | H3 | 109.5° | 117.0° |
N05 | C01 | H1 | 126.8° | 125.9° |
H4 | C09 | H5 | 109.5° | 109.4° |
H6 | C10 | H7 | 109.5° | 109.5° |
H9 | C12 | H10 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | C09 | H6 | 120.4° | 120.0° |
C11 | C10 | C09 | H7 | 120.4° | 120.0° |
C10 | C11 | C12 | H8 | 180.0° | 179.9° |
C11 | C10 | C09 | N03 | 70.3° | 180.0° |
C11 | C10 | C09 | H4 | 49.6° | 60.0° |
C11 | C10 | C09 | H5 | 169.9° | 60.0° |
C11 | C10 | H6 | H7 | 118.9° | 120.0° |
C10 | C11 | C12 | H9 | 180.0° | 0.1° |
C10 | C11 | C12 | H10 | 0.0° | 180.0° |
C09 | C10 | C11 | C12 | 109.8° | 124.9° |
C10 | C09 | N03 | H4 | 119.9° | 120.0° |
C10 | C09 | N03 | H5 | 119.9° | 120.0° |
C10 | C09 | N03 | C02 | 77.3° | 95.0° |
C10 | C09 | N03 | C04 | 101.3° | 85.0° |
C10 | C09 | H4 | H5 | 120.4° | 120.0° |
C09 | C10 | H6 | H7 | 118.9° | 120.0° |
C09 | C10 | C11 | H8 | 70.1° | 55.0° |
C12 | C11 | C10 | H6 | 129.8° | 4.9° |
C12 | C11 | C10 | H7 | 10.5° | 115.1° |
C11 | C12 | H9 | H10 | 180.0° | 179.9° |
C09 | N03 | C02 | C04 | 178.8° | 180.0° |
C09 | N03 | C02 | C01 | 179.4° | 180.0° |
C09 | N03 | C04 | C06 | 1.1° | 0.0° |
C09 | N03 | C04 | N05 | 179.3° | 180.0° |
C09 | N03 | C02 | H2 | 0.5° | 0.1° |
N03 | C09 | H4 | H5 | 120.4° | 120.0° |
N03 | C09 | C10 | H6 | 169.3° | 60.0° |
N03 | C09 | C10 | H7 | 50.1° | 60.0° |
N03 | C02 | C01 | H2 | 180.0° | 179.9° |
C02 | N03 | C04 | C06 | 179.9° | 180.0° |
C02 | N03 | C04 | N05 | 0.6° | 0.0° |
N03 | C02 | C01 | N05 | 0.5° | 0.0° |
N03 | C02 | C01 | H1 | 179.5° | 179.8° |
C02 | N03 | C09 | H4 | 162.8° | 25.0° |
C02 | N03 | C09 | H5 | 42.6° | 145.0° |
C04 | N03 | C02 | C01 | 0.7° | 0.0° |
N03 | C04 | C06 | O08 | 8.5° | 0.0° |
N03 | C04 | C06 | N05 | 179.5° | 180.0° |
N03 | C04 | C06 | O07 | 170.9° | 180.0° |
N03 | C04 | N05 | C01 | 0.2° | 0.0° |
C04 | N03 | C02 | H2 | 179.3° | 179.9° |
C04 | N03 | C09 | H4 | 18.6° | 155.0° |
C04 | N03 | C09 | H5 | 138.9° | 35.0° |
C02 | C01 | N05 | C04 | 0.2° | 0.0° |
C02 | C01 | N05 | H1 | 180.0° | 179.7° |
O08 | C06 | C04 | O07 | 179.4° | 179.9° |
O08 | C06 | C04 | N05 | 170.9° | 180.0° |
O08 | C06 | O07 | H3 | 0.0° | 0.0° |
C06 | C04 | N05 | C01 | 179.8° | 180.0° |
C04 | C06 | O07 | H3 | 179.4° | 180.0° |
N05 | C04 | C06 | O07 | 9.7° | 0.0° |
C04 | N05 | C01 | H1 | 179.8° | 179.8° |
N05 | C01 | C02 | H2 | 179.5° | 179.9° |
H1 | C01 | C02 | H2 | 0.5° | 0.3° |
H4 | C09 | C10 | H6 | 70.8° | 180.0° |
H4 | C09 | C10 | H7 | 170.0° | 60.0° |
H5 | C09 | C10 | H6 | 49.5° | 60.0° |
H5 | C09 | C10 | H7 | 69.7° | 180.0° |
H6 | C10 | C11 | H8 | 50.2° | 175.0° |
H7 | C10 | C11 | H8 | 169.5° | 65.0° |
H8 | C11 | C12 | H9 | 0.0° | 180.0° |
H8 | C11 | C12 | H10 | 180.0° | 0.1° |