6VV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C03 | C04 | sing | 1.55Å | 1.60Å | |
C03 | C02 | sing | 1.54Å | 1.31Å | |
O07 | C06 | sing | 1.43Å | 1.42Å | |
C04 | C05 | sing | 1.55Å | 1.55Å | |
C02 | C06 | sing | 1.54Å | 1.65Å | |
C02 | O01 | sing | 1.43Å | 1.44Å | |
C06 | C05 | sing | 1.54Å | 1.35Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
C02 | H2 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
O07 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | C03 | C02 | 101.7° | 104.2° |
C03 | C04 | C05 | 106.7° | 102.8° |
C04 | C03 | H3 | 111.4° | 110.5° |
C04 | C03 | H4 | 111.4° | 110.5° |
C03 | C04 | H5 | 110.1° | 110.7° |
C03 | C04 | H6 | 110.2° | 110.7° |
C03 | C02 | C06 | 103.4° | 106.6° |
C03 | C02 | O01 | 111.5° | 110.1° |
C03 | C02 | H2 | 113.8° | 110.1° |
C02 | C03 | H3 | 111.4° | 110.4° |
C02 | C03 | H4 | 111.4° | 110.4° |
O07 | C06 | C02 | 108.6° | 110.0° |
O07 | C06 | C05 | 113.3° | 110.0° |
O07 | C06 | H9 | 110.7° | 110.1° |
C06 | O07 | H10 | 109.5° | 114.0° |
C04 | C05 | C06 | 102.4° | 104.2° |
C05 | C04 | H5 | 110.1° | 110.8° |
C05 | C04 | H6 | 110.2° | 110.7° |
C04 | C05 | H7 | 111.2° | 110.5° |
C04 | C05 | H8 | 111.2° | 110.5° |
C06 | C02 | O01 | 107.4° | 110.0° |
C02 | C06 | C05 | 104.5° | 106.6° |
C06 | C02 | H2 | 108.7° | 110.0° |
C02 | C06 | H9 | 107.6° | 110.0° |
C02 | O01 | H1 | 109.5° | 114.0° |
O01 | C02 | H2 | 111.5° | 110.0° |
C06 | C05 | H7 | 111.2° | 110.5° |
C06 | C05 | H8 | 111.2° | 110.6° |
C05 | C06 | H9 | 111.8° | 110.0° |
H3 | C03 | H4 | 109.5° | 110.6° |
H5 | C04 | H6 | 109.5° | 110.8° |
H7 | C05 | H8 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C04 | C03 | C02 | H3 | 118.7° | 118.7° |
C04 | C03 | C02 | H4 | 118.7° | 118.7° |
C03 | C04 | C05 | H5 | 119.6° | 118.3° |
C03 | C04 | C05 | H6 | 119.6° | 118.3° |
C04 | C03 | C02 | C06 | 37.8° | 23.6° |
C04 | C03 | C02 | O01 | 77.3° | 142.9° |
C03 | C04 | C05 | C06 | 11.0° | 37.9° |
C04 | C03 | C02 | H2 | 155.6° | 95.7° |
C04 | C03 | H3 | H4 | 123.6° | 122.7° |
C03 | C04 | H5 | H6 | 121.3° | 123.3° |
C03 | C04 | C05 | H7 | 107.9° | 80.8° |
C03 | C04 | C05 | H8 | 129.8° | 156.8° |
C03 | C02 | C06 | O07 | 71.6° | 119.3° |
C02 | C03 | C04 | C05 | 20.5° | 37.9° |
C03 | C02 | C06 | O01 | 118.1° | 119.3° |
C03 | C02 | C06 | H2 | 121.2° | 119.3° |
C03 | C02 | O01 | H2 | 128.4° | 121.5° |
C03 | C02 | C06 | C05 | 49.6° | 0.0° |
C03 | C02 | O01 | H1 | 180.0° | 62.8° |
C02 | C03 | H3 | H4 | 123.6° | 122.5° |
C02 | C03 | C04 | H5 | 99.0° | 156.3° |
C02 | C03 | C04 | H6 | 140.1° | 80.4° |
C03 | C02 | C06 | H9 | 168.6° | 119.3° |
O07 | C06 | C05 | C04 | 85.9° | 95.7° |
O07 | C06 | C02 | C05 | 121.2° | 119.3° |
O07 | C06 | C02 | H9 | 119.8° | 121.4° |
O07 | C06 | C02 | O01 | 170.4° | 121.4° |
O07 | C06 | C05 | H9 | 125.8° | 121.4° |
O07 | C06 | C02 | H2 | 49.7° | 0.1° |
O07 | C06 | C05 | H7 | 155.2° | 145.6° |
O07 | C06 | C05 | H8 | 32.9° | 23.1° |
C04 | C05 | C06 | C02 | 32.1° | 23.6° |
C04 | C05 | C06 | H7 | 118.9° | 118.7° |
C04 | C05 | C06 | H8 | 118.9° | 118.8° |
C05 | C04 | C03 | H3 | 98.2° | 80.7° |
C05 | C04 | C03 | H4 | 139.3° | 156.6° |
C05 | C04 | H5 | H6 | 121.3° | 123.3° |
C04 | C05 | H7 | H8 | 123.3° | 122.5° |
C04 | C05 | C06 | H9 | 148.2° | 142.9° |
C06 | C02 | O01 | H2 | 118.9° | 121.4° |
C02 | C06 | C05 | H9 | 116.2° | 119.3° |
C06 | C02 | O01 | H1 | 67.4° | 180.0° |
C06 | C02 | C03 | H3 | 80.9° | 95.1° |
C06 | C02 | C03 | H4 | 156.6° | 142.3° |
C02 | C06 | C05 | H7 | 86.8° | 95.1° |
C02 | C06 | C05 | H8 | 150.9° | 142.4° |
C02 | C06 | O07 | H10 | 180.0° | 180.0° |
O01 | C02 | C06 | C05 | 68.5° | 119.3° |
O01 | C02 | C03 | H3 | 164.0° | 24.2° |
O01 | C02 | C03 | H4 | 41.5° | 98.4° |
O01 | C02 | C06 | H9 | 50.6° | 0.0° |
C05 | C06 | C02 | H2 | 170.8° | 119.3° |
C06 | C05 | C04 | H5 | 130.5° | 156.2° |
C06 | C05 | C04 | H6 | 108.6° | 80.4° |
C06 | C05 | H7 | H8 | 123.3° | 122.6° |
C05 | C06 | O07 | H10 | 64.4° | 62.9° |
H1 | O01 | C02 | H2 | 51.6° | 58.7° |
H2 | C02 | C03 | H3 | 36.8° | 145.6° |
H2 | C02 | C03 | H4 | 85.7° | 23.0° |
H2 | C02 | C06 | H9 | 70.1° | 121.4° |
H3 | C03 | C04 | H5 | 142.2° | 37.6° |
H3 | C03 | C04 | H6 | 21.4° | 161.0° |
H4 | C03 | C04 | H5 | 19.7° | 85.1° |
H4 | C03 | C04 | H6 | 101.2° | 38.3° |
H5 | C04 | C05 | H7 | 11.7° | 37.5° |
H5 | C04 | C05 | H8 | 110.6° | 84.9° |
H6 | C04 | C05 | H7 | 132.5° | 160.9° |
H6 | C04 | C05 | H8 | 10.3° | 38.5° |
H7 | C05 | C06 | H9 | 29.4° | 24.2° |
H8 | C05 | C06 | H9 | 92.9° | 98.3° |
H9 | C06 | O07 | H10 | 62.1° | 58.6° |