6KX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C05 | C06 | sing | 1.53Å | 1.39Å | |
C05 | C04 | sing | 1.53Å | 1.65Å | |
C06 | C07 | sing | 1.53Å | 1.64Å | |
C08 | C04 | sing | 1.53Å | 1.57Å | |
C04 | C09 | sing | 1.53Å | 1.53Å | |
C04 | C03 | sing | 1.50Å | 1.46Å | |
C07 | C02 | sing | 1.50Å | 1.46Å | |
C03 | C02 | doub | 1.32Å | 1.56Å | |
C03 | C10 | sing | 1.46Å | 1.57Å | |
C02 | C01 | sing | 1.51Å | 1.53Å | |
C10 | O11 | doub | 1.21Å | 1.28Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C06 | H11 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C07 | H13 | sing | 1.09Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
C08 | H15 | sing | 1.09Å | 1.10Å | |
C08 | H16 | sing | 1.09Å | 1.10Å | |
C09 | H17 | sing | 1.09Å | 1.10Å | |
C09 | H18 | sing | 1.09Å | 1.10Å | |
C09 | H19 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C06 | C05 | C04 | 114.3° | 108.5° |
C05 | C06 | C07 | 109.7° | 108.4° |
C06 | C05 | H8 | 108.2° | 109.6° |
C06 | C05 | H9 | 108.2° | 109.6° |
C05 | C06 | H10 | 109.4° | 109.6° |
C05 | C06 | H11 | 109.4° | 109.7° |
C05 | C04 | C08 | 109.4° | 109.3° |
C05 | C04 | C09 | 107.9° | 109.4° |
C05 | C04 | C03 | 111.7° | 110.1° |
C04 | C05 | H8 | 108.3° | 109.5° |
C04 | C05 | H9 | 108.3° | 109.8° |
C06 | C07 | C02 | 110.2° | 110.0° |
C07 | C06 | H10 | 109.4° | 109.9° |
C07 | C06 | H11 | 109.4° | 109.6° |
C06 | C07 | H12 | 109.3° | 109.4° |
C06 | C07 | H13 | 109.3° | 109.4° |
C08 | C04 | C09 | 105.9° | 109.4° |
C08 | C04 | C03 | 114.3° | 109.4° |
C04 | C08 | H14 | 109.5° | 109.4° |
C04 | C08 | H15 | 109.5° | 109.5° |
C04 | C08 | H16 | 109.4° | 109.5° |
C09 | C04 | C03 | 107.3° | 109.4° |
C04 | C09 | H17 | 109.5° | 109.5° |
C04 | C09 | H18 | 109.4° | 109.4° |
C04 | C09 | H19 | 109.5° | 109.5° |
C04 | C03 | C02 | 117.8° | 123.7° |
C04 | C03 | C10 | 120.0° | 118.1° |
C07 | C02 | C03 | 123.7° | 123.7° |
C07 | C02 | C01 | 119.2° | 118.1° |
C02 | C07 | H12 | 109.3° | 109.7° |
C02 | C07 | H13 | 109.3° | 109.1° |
C02 | C03 | C10 | 121.1° | 118.1° |
C03 | C02 | C01 | 116.5° | 118.1° |
C03 | C10 | O11 | 106.5° | 120.0° |
C03 | C10 | H1 | 126.8° | 120.0° |
C02 | C01 | H3 | 109.5° | 109.5° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.5° | 109.5° |
O11 | C10 | H1 | 126.7° | 120.0° |
H3 | C01 | H4 | 109.5° | 109.5° |
H3 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.4° |
H8 | C05 | H9 | 109.5° | 109.8° |
H10 | C06 | H11 | 109.4° | 109.8° |
H12 | C07 | H13 | 109.5° | 109.3° |
H14 | C08 | H15 | 109.4° | 109.5° |
H14 | C08 | H16 | 109.5° | 109.5° |
H15 | C08 | H16 | 109.5° | 109.5° |
H17 | C09 | H18 | 109.5° | 109.5° |
H17 | C09 | H19 | 109.5° | 109.5° |
H18 | C09 | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C06 | C05 | C04 | H8 | 120.7° | 119.6° |
C06 | C05 | C04 | H9 | 120.7° | 119.8° |
C05 | C06 | C07 | H10 | 120.1° | 119.7° |
C05 | C06 | C07 | H11 | 120.0° | 119.6° |
C06 | C05 | C04 | C08 | 77.4° | 70.3° |
C06 | C05 | C04 | C09 | 167.9° | 170.0° |
C06 | C05 | C04 | C03 | 50.2° | 49.8° |
C05 | C06 | C07 | C02 | 51.4° | 50.2° |
C06 | C05 | H8 | H9 | 117.8° | 120.5° |
C05 | C06 | H10 | H11 | 119.9° | 120.5° |
C05 | C06 | C07 | H12 | 171.5° | 70.4° |
C05 | C06 | C07 | H13 | 68.7° | 170.0° |
C04 | C05 | C06 | C07 | 63.5° | 68.4° |
C05 | C04 | C08 | C09 | 116.0° | 119.7° |
C05 | C04 | C08 | C03 | 126.1° | 120.6° |
C05 | C04 | C09 | C03 | 120.5° | 120.6° |
C05 | C04 | C03 | C02 | 22.6° | 17.2° |
C05 | C04 | C03 | C10 | 169.7° | 162.8° |
C04 | C05 | H8 | H9 | 117.8° | 120.6° |
C04 | C05 | C06 | H10 | 56.6° | 51.5° |
C04 | C05 | C06 | H11 | 176.5° | 172.1° |
C05 | C04 | C08 | H14 | 180.0° | 59.7° |
C05 | C04 | C08 | H15 | 60.0° | 60.3° |
C05 | C04 | C08 | H16 | 60.0° | 179.7° |
C05 | C04 | C09 | H17 | 180.0° | 71.6° |
C05 | C04 | C09 | H18 | 60.0° | 48.3° |
C05 | C04 | C09 | H19 | 60.0° | 168.4° |
C06 | C07 | C02 | H12 | 120.1° | 120.4° |
C06 | C07 | C02 | H13 | 120.1° | 120.0° |
C06 | C07 | C02 | C03 | 27.7° | 17.7° |
C06 | C07 | C02 | C01 | 162.1° | 162.6° |
C07 | C06 | C05 | H8 | 57.3° | 172.1° |
C07 | C06 | C05 | H9 | 175.8° | 51.5° |
C07 | C06 | H10 | H11 | 119.9° | 120.5° |
C06 | C07 | H12 | H13 | 119.6° | 119.7° |
C08 | C04 | C09 | C03 | 122.4° | 119.7° |
C08 | C04 | C03 | C02 | 102.3° | 102.8° |
C08 | C04 | C03 | C10 | 65.4° | 77.1° |
C08 | C04 | C05 | H8 | 161.9° | 49.3° |
C08 | C04 | C05 | H9 | 43.3° | 169.9° |
C04 | C08 | H14 | H15 | 120.0° | 120.0° |
C04 | C08 | H14 | H16 | 120.0° | 120.0° |
C04 | C08 | H15 | H16 | 120.0° | 120.0° |
C08 | C04 | C09 | H17 | 63.0° | 168.7° |
C08 | C04 | C09 | H18 | 177.0° | 71.3° |
C08 | C04 | C09 | H19 | 57.0° | 48.8° |
C09 | C04 | C03 | C02 | 140.7° | 137.4° |
C09 | C04 | C03 | C10 | 51.7° | 42.6° |
C09 | C04 | C05 | H8 | 47.2° | 70.4° |
C09 | C04 | C05 | H9 | 71.4° | 50.2° |
C09 | C04 | C08 | H14 | 64.0° | 60.0° |
C09 | C04 | C08 | H15 | 56.0° | 180.0° |
C09 | C04 | C08 | H16 | 176.0° | 60.0° |
C04 | C09 | H17 | H18 | 120.0° | 120.0° |
C04 | C09 | H17 | H19 | 120.0° | 120.0° |
C04 | C09 | H18 | H19 | 120.0° | 120.0° |
C04 | C03 | C02 | C07 | 16.6° | 0.7° |
C04 | C03 | C02 | C10 | 167.5° | 180.0° |
C04 | C03 | C02 | C01 | 173.0° | 179.6° |
C04 | C03 | C10 | O11 | 95.6° | 5.5° |
C04 | C03 | C10 | H1 | 84.5° | 174.7° |
C03 | C04 | C05 | H8 | 70.5° | 169.4° |
C03 | C04 | C05 | H9 | 170.9° | 70.0° |
C03 | C04 | C08 | H14 | 53.9° | 179.7° |
C03 | C04 | C08 | H15 | 173.9° | 60.3° |
C03 | C04 | C08 | H16 | 66.1° | 59.8° |
C03 | C04 | C09 | H17 | 59.5° | 49.0° |
C03 | C04 | C09 | H18 | 60.5° | 169.0° |
C03 | C04 | C09 | H19 | 179.5° | 71.0° |
C07 | C02 | C03 | C01 | 170.4° | 179.7° |
C07 | C02 | C03 | C10 | 175.9° | 179.3° |
C07 | C02 | C01 | H3 | 180.0° | 96.0° |
C07 | C02 | C01 | H4 | 60.0° | 24.0° |
C07 | C02 | C01 | H5 | 60.0° | 144.0° |
C02 | C07 | C06 | H10 | 68.7° | 69.5° |
C02 | C07 | C06 | H11 | 171.5° | 169.8° |
C02 | C07 | H12 | H13 | 119.7° | 119.5° |
C02 | C03 | C10 | O11 | 71.7° | 174.4° |
C02 | C03 | C10 | H1 | 108.3° | 5.4° |
C03 | C02 | C01 | H3 | 9.1° | 84.3° |
C03 | C02 | C01 | H4 | 129.1° | 155.6° |
C03 | C02 | C01 | H5 | 110.9° | 35.7° |
C03 | C02 | C07 | H12 | 147.8° | 102.7° |
C03 | C02 | C07 | H13 | 92.4° | 137.7° |
C10 | C03 | C02 | C01 | 5.5° | 0.4° |
C03 | C10 | O11 | H1 | 180.0° | 179.8° |
C02 | C01 | H3 | H4 | 120.0° | 120.0° |
C02 | C01 | H3 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C01 | C02 | C07 | H12 | 42.0° | 77.0° |
C01 | C02 | C07 | H13 | 77.8° | 42.7° |
H3 | C01 | H4 | H5 | 120.0° | 120.0° |
H8 | C05 | C06 | H10 | 177.3° | 68.0° |
H8 | C05 | C06 | H11 | 62.8° | 52.6° |
H9 | C05 | C06 | H10 | 64.1° | 171.4° |
H9 | C05 | C06 | H11 | 55.8° | 68.0° |
H10 | C06 | C07 | H12 | 51.5° | 169.9° |
H10 | C06 | C07 | H13 | 171.2° | 50.3° |
H11 | C06 | C07 | H12 | 68.4° | 49.3° |
H11 | C06 | C07 | H13 | 51.3° | 70.4° |
H14 | C08 | H15 | H16 | 120.0° | 120.0° |
H17 | C09 | H18 | H19 | 120.0° | 120.0° |