VM1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1B | O1A | doub | 1.21Å | 1.25Å | |
C1G | C1B | sing | 1.48Å | 1.53Å | |
C1B | O1C | sing | 1.35Å | 1.25Å | |
O1C | HO1C | sing | 0.97Å | 0.95Å | |
C1E | S1D | sing | 1.76Å | 1.70Å | Aromatic |
S1D | C1J | sing | 1.76Å | 1.71Å | Aromatic |
C1E | C1F | doub | 1.34Å | 1.33Å | Aromatic |
C1E | H1E | sing | 1.08Å | 1.08Å | |
C1F | C1K | sing | 1.38Å | 1.34Å | Aromatic |
C1F | H1F | sing | 1.08Å | 1.08Å | |
C1H | C1G | doub | 1.40Å | 1.39Å | Aromatic |
C1L | C1G | sing | 1.40Å | 1.39Å | Aromatic |
C1I | C1H | sing | 1.40Å | 1.39Å | Aromatic |
C1H | H1H | sing | 1.08Å | 1.08Å | |
C1J | C1I | sing | 1.48Å | 1.39Å | Aromatic |
C1N | C1I | doub | 1.40Å | 1.39Å | Aromatic |
C1J | C1K | doub | 1.35Å | 1.33Å | Aromatic |
C1K | H1K | sing | 1.08Å | 1.08Å | |
N1M | C1L | doub | 1.32Å | 1.32Å | Aromatic |
C1L | H1L | sing | 1.08Å | 1.08Å | |
C1N | N1M | sing | 1.32Å | 1.32Å | Aromatic |
C1N | H1N | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1A | C1B | C1G | 117.6° | 120.0° |
O1A | C1B | O1C | 124.3° | 120.0° |
C1G | C1B | O1C | 118.1° | 120.0° |
C1B | C1G | C1H | 119.8° | 120.5° |
C1B | C1G | C1L | 120.8° | 120.5° |
C1B | O1C | HO1C | 109.5° | 117.0° |
C1E | S1D | C1J | 94.4° | 91.0° |
S1D | C1E | C1F | 106.5° | 109.8° |
S1D | C1E | H1E | 126.8° | 125.1° |
S1D | C1J | C1I | 123.3° | 125.3° |
S1D | C1J | C1K | 107.1° | 109.4° |
C1F | C1E | H1E | 126.7° | 125.1° |
C1E | C1F | C1K | 116.8° | 115.1° |
C1E | C1F | H1F | 121.7° | 122.4° |
C1K | C1F | H1F | 121.6° | 122.5° |
C1F | C1K | C1J | 115.3° | 114.7° |
C1F | C1K | H1K | 122.3° | 122.7° |
C1H | C1G | C1L | 119.4° | 119.0° |
C1G | C1H | C1I | 118.2° | 118.1° |
C1G | C1H | H1H | 120.9° | 121.0° |
C1G | C1L | N1M | 120.6° | 120.8° |
C1G | C1L | H1L | 119.7° | 119.6° |
C1I | C1H | H1H | 120.9° | 120.9° |
C1H | C1I | C1J | 120.0° | 120.5° |
C1H | C1I | C1N | 119.2° | 119.0° |
C1J | C1I | C1N | 120.7° | 120.5° |
C1I | C1J | C1K | 129.5° | 125.2° |
C1I | C1N | N1M | 120.7° | 120.9° |
C1I | C1N | H1N | 119.7° | 119.5° |
C1J | C1K | H1K | 122.4° | 122.6° |
N1M | C1L | H1L | 119.7° | 119.6° |
C1L | N1M | C1N | 121.8° | 122.1° |
N1M | C1N | H1N | 119.6° | 119.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1A | C1B | C1G | O1C | 179.9° | 179.7° |
O1A | C1B | O1C | HO1C | 0.0° | 0.1° |
O1A | C1B | C1G | C1H | 3.0° | 0.1° |
O1A | C1B | C1G | C1L | 177.5° | 179.7° |
C1G | C1B | O1C | HO1C | 180.0° | 179.8° |
C1B | C1G | C1H | C1L | 179.6° | 179.6° |
C1B | C1G | C1H | C1I | 179.5° | 180.0° |
C1B | C1G | C1H | H1H | 0.5° | 0.1° |
C1B | C1G | C1L | N1M | 179.5° | 180.0° |
C1B | C1G | C1L | H1L | 0.5° | 0.1° |
O1C | C1B | C1G | C1H | 177.0° | 179.8° |
O1C | C1B | C1G | C1L | 2.6° | 0.6° |
S1D | C1E | C1F | H1E | 180.0° | 179.9° |
S1D | C1E | C1F | C1K | 0.1° | 0.0° |
S1D | C1E | C1F | H1F | 179.9° | 180.0° |
C1E | S1D | C1J | C1I | 177.9° | 180.0° |
C1E | S1D | C1J | C1K | 0.1° | 0.1° |
C1J | S1D | C1E | C1F | 0.1° | 0.0° |
C1J | S1D | C1E | H1E | 179.9° | 180.0° |
S1D | C1J | C1K | C1F | 0.0° | 0.1° |
S1D | C1J | C1I | C1H | 163.4° | 0.0° |
S1D | C1J | C1I | C1K | 177.5° | 179.9° |
S1D | C1J | C1I | C1N | 15.1° | 180.0° |
S1D | C1J | C1K | H1K | 180.0° | 180.0° |
C1E | C1F | C1K | H1F | 180.0° | 180.0° |
C1E | C1F | C1K | C1J | 0.1° | 0.0° |
C1E | C1F | C1K | H1K | 179.9° | 180.0° |
H1E | C1E | C1F | C1K | 179.8° | 179.9° |
H1E | C1E | C1F | H1F | 0.2° | 0.0° |
C1F | C1K | C1J | C1I | 177.8° | 180.0° |
C1F | C1K | C1J | H1K | 180.0° | 179.9° |
H1F | C1F | C1K | C1J | 179.9° | 180.0° |
H1F | C1F | C1K | H1K | 0.1° | 0.1° |
C1G | C1H | C1I | H1H | 180.0° | 179.9° |
C1G | C1H | C1I | C1J | 178.5° | 180.0° |
C1G | C1H | C1I | C1N | 0.1° | 0.0° |
C1H | C1G | C1L | N1M | 0.0° | 0.3° |
C1H | C1G | C1L | H1L | 179.9° | 179.7° |
C1L | C1G | C1H | C1I | 0.1° | 0.3° |
C1L | C1G | C1H | H1H | 179.9° | 179.8° |
C1G | C1L | N1M | H1L | 180.0° | 180.0° |
C1G | C1L | N1M | C1N | 0.1° | 0.0° |
C1H | C1I | C1J | C1N | 178.5° | 180.0° |
C1H | C1I | C1J | C1K | 14.1° | 180.0° |
C1H | C1I | C1N | N1M | 0.0° | 0.3° |
C1H | C1I | C1N | H1N | 180.0° | 179.9° |
H1H | C1H | C1I | C1J | 1.5° | 0.0° |
H1H | C1H | C1I | C1N | 179.9° | 180.0° |
C1I | C1J | C1K | H1K | 2.2° | 0.1° |
C1J | C1I | C1N | N1M | 178.6° | 179.7° |
C1J | C1I | C1N | H1N | 1.4° | 0.1° |
C1N | C1I | C1J | C1K | 167.4° | 0.0° |
C1I | C1N | N1M | C1L | 0.1° | 0.3° |
C1I | C1N | N1M | H1N | 180.0° | 179.8° |
C1L | N1M | C1N | H1N | 179.9° | 179.9° |
H1L | C1L | N1M | C1N | 180.0° | 180.0° |