UU3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O07 | C06 | doub | 1.21Å | 1.22Å | |
O09 | C08 | doub | 1.21Å | 1.22Å | |
C06 | C08 | sing | 1.49Å | 1.46Å | |
C06 | C04 | sing | 1.49Å | 1.44Å | |
C08 | O10 | sing | 1.34Å | 1.42Å | |
O12 | C01 | sing | 1.43Å | 1.38Å | |
C04 | O05 | doub | 1.21Å | 1.23Å | |
C04 | C03 | sing | 1.51Å | 1.48Å | |
O10 | C03 | sing | 1.45Å | 1.43Å | |
C01 | C02 | sing | 1.53Å | 1.50Å | |
C03 | C02 | sing | 1.53Å | 1.50Å | |
C02 | O11 | sing | 1.43Å | 1.38Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C02 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
O11 | H5 | sing | 0.97Å | 0.95Å | |
O12 | H6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O07 | C06 | C08 | 126.9° | 126.8° |
O07 | C06 | C04 | 127.9° | 126.9° |
O09 | C08 | C06 | 125.4° | 124.9° |
O09 | C08 | O10 | 126.5° | 124.7° |
C08 | C06 | C04 | 105.1° | 106.3° |
C06 | C08 | O10 | 107.5° | 110.4° |
C06 | C04 | O05 | 128.0° | 127.5° |
C06 | C04 | C03 | 104.4° | 104.8° |
C08 | O10 | C03 | 107.6° | 111.0° |
O12 | C01 | C02 | 118.1° | 109.5° |
O12 | C01 | H1 | 107.3° | 109.5° |
O12 | C01 | H2 | 107.3° | 109.5° |
C01 | O12 | H6 | 109.5° | 114.0° |
O05 | C04 | C03 | 127.6° | 127.6° |
C04 | C03 | O10 | 103.2° | 107.4° |
C04 | C03 | C02 | 115.3° | 109.9° |
C04 | C03 | H4 | 109.3° | 109.9° |
O10 | C03 | C02 | 110.0° | 109.9° |
O10 | C03 | H4 | 109.9° | 109.8° |
C01 | C02 | C03 | 113.4° | 109.5° |
C01 | C02 | O11 | 108.1° | 109.5° |
C02 | C01 | H1 | 107.3° | 109.4° |
C02 | C01 | H2 | 107.3° | 109.5° |
C01 | C02 | H3 | 107.7° | 109.5° |
C03 | C02 | O11 | 110.6° | 109.5° |
C03 | C02 | H3 | 107.7° | 109.4° |
C02 | C03 | H4 | 109.0° | 109.9° |
O11 | C02 | H3 | 109.2° | 109.5° |
C02 | O11 | H5 | 109.5° | 114.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O07 | C06 | C08 | O09 | 7.6° | 0.1° |
O07 | C06 | C08 | C04 | 177.8° | 179.9° |
O07 | C06 | C08 | O10 | 164.6° | 180.0° |
O07 | C06 | C04 | O05 | 31.8° | 0.2° |
O07 | C06 | C04 | C03 | 148.0° | 179.9° |
O09 | C08 | C06 | O10 | 172.2° | 179.9° |
O09 | C08 | C06 | C04 | 174.5° | 180.0° |
O09 | C08 | O10 | C03 | 162.9° | 179.9° |
C08 | C06 | C04 | O05 | 150.4° | 179.9° |
C08 | C06 | C04 | C03 | 29.8° | 0.0° |
C06 | C08 | O10 | C03 | 9.2° | 0.2° |
C04 | C06 | C08 | O10 | 13.3° | 0.1° |
C06 | C04 | O05 | C03 | 179.7° | 179.9° |
C06 | C04 | C03 | O10 | 35.2° | 0.1° |
C06 | C04 | C03 | C02 | 84.7° | 119.4° |
C06 | C04 | C03 | H4 | 152.1° | 119.5° |
C08 | O10 | C03 | C04 | 27.2° | 0.2° |
C08 | O10 | C03 | C02 | 96.3° | 119.4° |
C08 | O10 | C03 | H4 | 143.7° | 119.6° |
O12 | C01 | C02 | H1 | 121.3° | 120.1° |
O12 | C01 | C02 | H2 | 121.2° | 120.0° |
O12 | C01 | C02 | C03 | 65.0° | 174.9° |
O12 | C01 | C02 | O11 | 172.0° | 65.0° |
O12 | C01 | H1 | H2 | 116.1° | 120.0° |
O12 | C01 | C02 | H3 | 54.1° | 55.0° |
O05 | C04 | C03 | O10 | 145.0° | 179.9° |
O05 | C04 | C03 | C02 | 95.1° | 60.7° |
O05 | C04 | C03 | H4 | 28.1° | 60.4° |
C04 | C03 | O10 | C02 | 123.5° | 119.5° |
C04 | C03 | O10 | H4 | 116.5° | 119.5° |
C04 | C03 | C02 | C01 | 2.9° | 174.7° |
C04 | C03 | C02 | H4 | 123.3° | 121.1° |
C04 | C03 | C02 | O11 | 124.4° | 54.6° |
C04 | C03 | C02 | H3 | 116.3° | 65.3° |
O10 | C03 | C02 | C01 | 119.0° | 56.7° |
O10 | C03 | C02 | H4 | 120.5° | 120.9° |
O10 | C03 | C02 | O11 | 119.5° | 63.3° |
O10 | C03 | C02 | H3 | 0.2° | 176.7° |
C01 | C02 | C03 | O11 | 121.5° | 120.1° |
C01 | C02 | C03 | H3 | 119.2° | 120.0° |
C01 | C02 | O11 | H3 | 116.9° | 120.0° |
C02 | C01 | H1 | H2 | 116.1° | 120.0° |
C01 | C02 | C03 | H4 | 120.5° | 64.2° |
C01 | C02 | O11 | H5 | 180.0° | 60.0° |
C02 | C01 | O12 | H6 | 55.6° | 179.9° |
C03 | C02 | O11 | H3 | 118.4° | 119.9° |
C03 | C02 | C01 | H1 | 56.2° | 65.0° |
C03 | C02 | C01 | H2 | 173.8° | 55.0° |
C03 | C02 | O11 | H5 | 55.3° | 60.0° |
O11 | C02 | C01 | H1 | 66.7° | 55.1° |
O11 | C02 | C01 | H2 | 50.8° | 175.0° |
O11 | C02 | C03 | H4 | 1.1° | 175.7° |
H1 | C01 | C02 | H3 | 175.4° | 175.1° |
H1 | C01 | O12 | H6 | 65.7° | 59.9° |
H2 | C01 | C02 | H3 | 67.1° | 65.0° |
H2 | C01 | O12 | H6 | 176.8° | 60.1° |
H3 | C02 | C03 | H4 | 120.4° | 55.8° |
H3 | C02 | O11 | H5 | 63.1° | 180.0° |