UVW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.27Å | |
C1 | C1M | sing | 1.51Å | 1.27Å | |
C1 | O2 | sing | 1.34Å | 1.60Å | |
C1M | H1M1 | sing | 1.09Å | 1.12Å | |
C1M | H1M2 | sing | 1.09Å | 1.11Å | |
C1M | H1M3 | sing | 1.09Å | 1.12Å | |
O2 | P | sing | 1.61Å | 1.48Å | |
P | O1P | doub | 1.48Å | 1.44Å | |
P | O2P | sing | 1.61Å | 1.45Å | |
P | O3P | sing | 1.61Å | 1.58Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C1M | 127.5° | 119.9° |
O1 | C1 | O2 | 113.2° | 120.0° |
C1M | C1 | O2 | 113.1° | 120.0° |
C1 | C1M | H1M1 | 127.5° | 109.5° |
C1 | C1M | H1M2 | 105.9° | 109.5° |
C1 | C1M | H1M3 | 105.9° | 109.5° |
C1 | O2 | P | 97.5° | 120.0° |
H1M1 | C1M | H1M2 | 105.9° | 109.5° |
H1M1 | C1M | H1M3 | 105.9° | 109.5° |
H1M2 | C1M | H1M3 | 103.5° | 109.4° |
O2 | P | O1P | 113.3° | 109.4° |
O2 | P | O2P | 102.6° | 109.5° |
O2 | P | O3P | 116.9° | 109.5° |
O1P | P | O2P | 104.3° | 109.4° |
O1P | P | O3P | 114.1° | 109.5° |
O2P | P | O3P | 103.4° | 109.5° |
P | O2P | HOP2 | 102.6° | 106.8° |
P | O3P | HOP3 | 116.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C1M | O2 | 150.2° | 179.9° |
O1 | C1 | C1M | H1M1 | 180.0° | 0.1° |
O1 | C1 | C1M | H1M2 | 54.7° | 120.0° |
O1 | C1 | C1M | H1M3 | 54.8° | 120.1° |
O1 | C1 | O2 | P | 122.2° | 0.1° |
C1 | C1M | H1M1 | H1M2 | 125.3° | 120.0° |
C1 | C1M | H1M1 | H1M3 | 125.2° | 120.0° |
C1 | C1M | H1M2 | H1M3 | 111.2° | 120.0° |
C1M | C1 | O2 | P | 83.2° | 180.0° |
O2 | C1 | C1M | H1M1 | 29.8° | 180.0° |
O2 | C1 | C1M | H1M2 | 155.0° | 59.9° |
O2 | C1 | C1M | H1M3 | 95.5° | 60.0° |
C1 | O2 | P | O1P | 170.0° | 60.0° |
C1 | O2 | P | O2P | 78.2° | 179.9° |
C1 | O2 | P | O3P | 34.2° | 60.0° |
H1M1 | C1M | H1M2 | H1M3 | 111.2° | 120.0° |
O2 | P | O1P | O2P | 110.8° | 120.0° |
O2 | P | O1P | O3P | 137.1° | 120.0° |
O2 | P | O2P | O3P | 122.0° | 120.0° |
O2 | P | O2P | HOP2 | 179.9° | 180.0° |
O2 | P | O3P | HOP3 | 180.0° | 60.0° |
O1P | P | O2P | O3P | 119.6° | 120.1° |
O1P | P | O2P | HOP2 | 61.5° | 60.1° |
O1P | P | O3P | HOP3 | 44.5° | 180.0° |
O2P | P | O3P | HOP3 | 68.2° | 60.0° |
O3P | P | O2P | HOP2 | 58.1° | 60.0° |