KP6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C05 | N04 | sing | 1.46Å | 1.49Å | |
C07 | C06 | sing | 1.51Å | 1.48Å | |
N04 | C06 | sing | 1.35Å | 1.37Å | Aromatic |
N04 | N03 | sing | 1.40Å | 1.38Å | Aromatic |
C06 | C08 | doub | 1.35Å | 1.49Å | Aromatic |
N03 | C02 | doub | 1.31Å | 1.39Å | Aromatic |
C10 | O11 | sing | 1.43Å | 1.43Å | |
C10 | C09 | sing | 1.53Å | 1.55Å | |
C08 | C09 | sing | 1.51Å | 1.51Å | |
C08 | C02 | sing | 1.40Å | 1.48Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.52Å | |
O11 | H1 | sing | 0.97Å | 0.95Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C09 | H4 | sing | 1.09Å | 1.10Å | |
C09 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C07 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
C05 | H11 | sing | 1.09Å | 1.10Å | |
C01 | H12 | sing | 1.09Å | 1.10Å | |
C01 | H13 | sing | 1.09Å | 1.10Å | |
C01 | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | N04 | C06 | 131.9° | 126.0° |
C05 | N04 | N03 | 117.3° | 126.1° |
N04 | C05 | H9 | 109.5° | 109.5° |
N04 | C05 | H10 | 109.5° | 109.5° |
N04 | C05 | H11 | 109.5° | 109.5° |
C07 | C06 | N04 | 126.6° | 126.2° |
C07 | C06 | C08 | 125.3° | 126.1° |
C06 | C07 | H6 | 109.5° | 109.5° |
C06 | C07 | H7 | 109.5° | 109.5° |
C06 | C07 | H8 | 109.5° | 109.5° |
C06 | N04 | N03 | 110.5° | 107.9° |
N04 | C06 | C08 | 108.1° | 107.7° |
N04 | N03 | C02 | 110.1° | 108.2° |
C06 | C08 | C09 | 126.7° | 126.0° |
C06 | C08 | C02 | 103.4° | 107.9° |
N03 | C02 | C08 | 107.8° | 108.2° |
N03 | C02 | C01 | 129.4° | 125.9° |
O11 | C10 | C09 | 110.0° | 109.5° |
C10 | O11 | H1 | 109.5° | 114.0° |
O11 | C10 | H2 | 109.3° | 109.5° |
O11 | C10 | H3 | 109.3° | 109.5° |
C10 | C09 | C08 | 110.7° | 109.5° |
C09 | C10 | H2 | 109.3° | 109.5° |
C09 | C10 | H3 | 109.3° | 109.5° |
C10 | C09 | H4 | 109.1° | 109.4° |
C10 | C09 | H5 | 109.2° | 109.5° |
C09 | C08 | C02 | 129.7° | 126.0° |
C08 | C09 | H4 | 109.2° | 109.5° |
C08 | C09 | H5 | 109.2° | 109.5° |
C08 | C02 | C01 | 122.8° | 125.9° |
C02 | C01 | H12 | 109.5° | 109.4° |
C02 | C01 | H13 | 109.4° | 109.5° |
C02 | C01 | H14 | 109.5° | 109.5° |
H2 | C10 | H3 | 109.5° | 109.4° |
H4 | C09 | H5 | 109.5° | 109.5° |
H6 | C07 | H7 | 109.5° | 109.4° |
H6 | C07 | H8 | 109.5° | 109.5° |
H7 | C07 | H8 | 109.5° | 109.4° |
H9 | C05 | H10 | 109.5° | 109.4° |
H9 | C05 | H11 | 109.5° | 109.4° |
H10 | C05 | H11 | 109.5° | 109.5° |
H12 | C01 | H13 | 109.5° | 109.4° |
H12 | C01 | H14 | 109.4° | 109.5° |
H13 | C01 | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C05 | N04 | C06 | C07 | 5.8° | 0.1° |
C05 | N04 | C06 | N03 | 173.8° | 179.9° |
C05 | N04 | C06 | C08 | 176.1° | 180.0° |
C05 | N04 | N03 | C02 | 175.9° | 179.7° |
N04 | C05 | H9 | H10 | 120.0° | 120.0° |
N04 | C05 | H9 | H11 | 120.0° | 120.0° |
N04 | C05 | H10 | H11 | 120.0° | 120.1° |
C07 | C06 | N04 | C08 | 178.1° | 179.9° |
C07 | C06 | N04 | N03 | 179.6° | 180.0° |
C07 | C06 | C08 | C09 | 3.0° | 0.0° |
C07 | C06 | C08 | C02 | 179.3° | 179.7° |
C06 | C07 | H6 | H7 | 120.0° | 120.0° |
C06 | C07 | H6 | H8 | 120.0° | 120.0° |
C06 | C07 | H7 | H8 | 120.0° | 120.0° |
C06 | N04 | N03 | C02 | 1.0° | 0.3° |
N04 | C06 | C08 | C09 | 178.9° | 180.0° |
N04 | C06 | C08 | C02 | 2.6° | 0.2° |
N04 | C06 | C07 | H6 | 88.9° | 90.0° |
N04 | C06 | C07 | H7 | 151.1° | 30.0° |
N04 | C06 | C07 | H8 | 31.1° | 150.0° |
C06 | N04 | C05 | H9 | 173.5° | 90.1° |
C06 | N04 | C05 | H10 | 66.5° | 149.9° |
C06 | N04 | C05 | H11 | 53.5° | 29.9° |
N03 | N04 | C06 | C08 | 2.3° | 0.1° |
N04 | N03 | C02 | C08 | 0.7° | 0.5° |
N04 | N03 | C02 | C01 | 179.0° | 179.7° |
N03 | N04 | C05 | H9 | 0.0° | 90.0° |
N03 | N04 | C05 | H10 | 120.0° | 30.0° |
N03 | N04 | C05 | H11 | 120.0° | 150.0° |
C06 | C08 | C02 | N03 | 1.9° | 0.4° |
C06 | C08 | C09 | C10 | 80.6° | 89.8° |
C06 | C08 | C09 | C02 | 175.4° | 179.8° |
C06 | C08 | C02 | C01 | 179.6° | 179.7° |
C06 | C08 | C09 | H4 | 159.2° | 150.3° |
C06 | C08 | C09 | H5 | 39.6° | 30.3° |
C08 | C06 | C07 | H6 | 88.9° | 90.0° |
C08 | C06 | C07 | H7 | 31.1° | 150.0° |
C08 | C06 | C07 | H8 | 151.1° | 30.0° |
N03 | C02 | C08 | C09 | 178.2° | 179.8° |
N03 | C02 | C08 | C01 | 178.5° | 179.9° |
N03 | C02 | C01 | H12 | 0.0° | 89.8° |
N03 | C02 | C01 | H13 | 120.0° | 30.2° |
N03 | C02 | C01 | H14 | 120.0° | 150.2° |
O11 | C10 | C09 | H2 | 120.1° | 120.0° |
O11 | C10 | C09 | H3 | 120.1° | 120.0° |
O11 | C10 | C09 | C08 | 170.1° | 180.0° |
O11 | C10 | H2 | H3 | 119.8° | 120.0° |
O11 | C10 | C09 | H4 | 49.9° | 60.0° |
O11 | C10 | C09 | H5 | 69.7° | 60.0° |
C10 | C09 | C08 | H4 | 120.2° | 120.0° |
C10 | C09 | C08 | H5 | 120.2° | 120.0° |
C10 | C09 | C08 | C02 | 94.8° | 90.0° |
C09 | C10 | O11 | H1 | 180.0° | 180.0° |
C09 | C10 | H2 | H3 | 119.8° | 120.0° |
C10 | C09 | H4 | H5 | 119.4° | 120.0° |
C09 | C08 | C02 | C01 | 3.4° | 0.1° |
C08 | C09 | C10 | H2 | 69.9° | 60.0° |
C08 | C09 | C10 | H3 | 50.0° | 60.0° |
C08 | C09 | H4 | H5 | 119.4° | 120.0° |
C02 | C08 | C09 | H4 | 25.3° | 30.0° |
C02 | C08 | C09 | H5 | 145.0° | 150.0° |
C08 | C02 | C01 | H12 | 178.1° | 90.1° |
C08 | C02 | C01 | H13 | 61.9° | 150.0° |
C08 | C02 | C01 | H14 | 58.1° | 30.0° |
C02 | C01 | H12 | H13 | 120.0° | 119.9° |
C02 | C01 | H12 | H14 | 120.0° | 120.1° |
C02 | C01 | H13 | H14 | 120.0° | 120.1° |
H1 | O11 | C10 | H2 | 59.9° | 60.0° |
H1 | O11 | C10 | H3 | 60.0° | 60.0° |
H2 | C10 | C09 | H4 | 169.9° | 180.0° |
H2 | C10 | C09 | H5 | 50.3° | 60.1° |
H3 | C10 | C09 | H4 | 70.2° | 60.0° |
H3 | C10 | C09 | H5 | 170.2° | 180.0° |
H6 | C07 | H7 | H8 | 120.0° | 120.0° |
H9 | C05 | H10 | H11 | 120.0° | 119.9° |
H12 | C01 | H13 | H14 | 120.0° | 120.0° |