7CP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1L | C1J | sing | 1.53Å | 1.52Å | |
C1L | C1Y | sing | 1.53Å | 1.54Å | |
C1J | N1W | sing | 1.47Å | 1.47Å | |
N1W | C1A | sing | 1.47Å | 1.48Å | |
N1W | C1K | sing | 1.47Å | 1.48Å | |
C1K | C1M | sing | 1.53Å | 1.53Å | |
C1M | C1Y | sing | 1.53Å | 1.52Å | |
C1Y | N1N | sing | 1.46Å | 1.48Å | |
C1Y | C1V | sing | 1.53Å | 1.50Å | |
N1N | C1O | sing | 1.35Å | 1.38Å | |
C1O | O1D | doub | 1.22Å | 1.23Å | |
C1O | C1R | sing | 1.47Å | 1.40Å | |
C1R | N1X | sing | 1.37Å | 1.34Å | Aromatic |
C1R | C1S | doub | 1.37Å | 1.39Å | Aromatic |
N1X | C1B | sing | 1.46Å | 1.47Å | |
N1X | C1U | sing | 1.37Å | 1.33Å | Aromatic |
C1U | C1Q | doub | 1.39Å | 1.40Å | Aromatic |
C1U | C1T | sing | 1.42Å | 1.38Å | Aromatic |
C1Q | CL1F | sing | 1.74Å | 1.73Å | |
C1Q | C1P | sing | 1.39Å | 1.42Å | Aromatic |
C1P | CL1E | sing | 1.74Å | 1.73Å | |
C1P | C1H | doub | 1.39Å | 1.38Å | Aromatic |
C1H | C1I | sing | 1.37Å | 1.36Å | Aromatic |
C1I | C1T | doub | 1.40Å | 1.36Å | Aromatic |
C1T | C1S | sing | 1.39Å | 1.36Å | Aromatic |
C1S | C1V | sing | 1.51Å | 1.52Å | |
C1V | C1G | sing | 1.47Å | 1.46Å | |
C1G | N1C | trip | 1.14Å | 1.15Å | |
C1L | H1L | sing | 1.09Å | 1.10Å | |
C1L | H1LA | sing | 1.09Å | 1.10Å | |
C1J | H1J | sing | 1.09Å | 1.10Å | |
C1J | H1JA | sing | 1.09Å | 1.10Å | |
C1A | H1A | sing | 1.09Å | 1.10Å | |
C1A | H1AA | sing | 1.09Å | 1.10Å | |
C1A | H1AB | sing | 1.09Å | 1.10Å | |
C1K | H1K | sing | 1.09Å | 1.10Å | |
C1K | H1KA | sing | 1.09Å | 1.10Å | |
C1M | H1M | sing | 1.09Å | 1.10Å | |
C1M | H1MA | sing | 1.09Å | 1.10Å | |
N1N | HN1N | sing | 0.97Å | 1.00Å | |
C1B | H1B | sing | 1.09Å | 1.10Å | |
C1B | H1BA | sing | 1.09Å | 1.10Å | |
C1B | H1BB | sing | 1.09Å | 1.10Å | |
C1H | H1H | sing | 1.08Å | 1.08Å | |
C1I | H1I | sing | 1.08Å | 1.08Å | |
C1V | H1V | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1J | C1L | C1Y | 113.3° | 109.2° |
C1L | C1J | N1W | 111.6° | 109.5° |
C1J | C1L | H1L | 108.2° | 109.5° |
C1J | C1L | H1LA | 107.4° | 109.5° |
C1L | C1J | H1J | 108.8° | 109.5° |
C1L | C1J | H1JA | 108.3° | 109.4° |
C1L | C1Y | C1M | 108.0° | 108.7° |
C1L | C1Y | N1N | 107.3° | 109.1° |
C1L | C1Y | C1V | 108.2° | 108.8° |
C1Y | C1L | H1L | 108.2° | 109.5° |
C1Y | C1L | H1LA | 107.4° | 109.5° |
C1J | N1W | C1A | 108.8° | 111.0° |
C1J | N1W | C1K | 112.9° | 111.2° |
N1W | C1J | H1J | 108.7° | 109.4° |
N1W | C1J | H1JA | 108.3° | 109.4° |
C1A | N1W | C1K | 111.9° | 111.0° |
N1W | C1A | H1A | 109.5° | 109.5° |
N1W | C1A | H1AA | 109.4° | 109.5° |
N1W | C1A | H1AB | 109.5° | 109.5° |
N1W | C1K | C1M | 111.9° | 109.5° |
N1W | C1K | H1K | 108.7° | 109.5° |
N1W | C1K | H1KA | 108.1° | 109.4° |
C1K | C1M | C1Y | 110.1° | 109.3° |
C1M | C1K | H1K | 108.7° | 109.4° |
C1M | C1K | H1KA | 108.1° | 109.5° |
C1K | C1M | H1M | 109.3° | 109.5° |
C1K | C1M | H1MA | 109.1° | 109.5° |
C1M | C1Y | N1N | 108.3° | 109.2° |
C1M | C1Y | C1V | 112.6° | 109.0° |
C1Y | C1M | H1M | 109.3° | 109.5° |
C1Y | C1M | H1MA | 109.2° | 109.5° |
N1N | C1Y | C1V | 112.3° | 111.9° |
C1Y | N1N | C1O | 124.2° | 122.2° |
C1Y | N1N | HN1N | 117.9° | 118.9° |
C1Y | C1V | C1S | 108.2° | 108.8° |
C1Y | C1V | C1G | 108.8° | 109.6° |
C1Y | C1V | H1V | 110.9° | 109.6° |
N1N | C1O | O1D | 117.8° | 121.4° |
N1N | C1O | C1R | 118.0° | 117.1° |
C1O | N1N | HN1N | 117.9° | 118.9° |
O1D | C1O | C1R | 124.1° | 121.5° |
C1O | C1R | N1X | 134.5° | 130.1° |
C1O | C1R | C1S | 118.2° | 120.4° |
N1X | C1R | C1S | 107.3° | 109.4° |
C1R | N1X | C1B | 124.4° | 125.8° |
C1R | N1X | C1U | 111.0° | 108.4° |
C1R | C1S | C1T | 106.6° | 107.6° |
C1R | C1S | C1V | 124.5° | 121.4° |
C1B | N1X | C1U | 124.6° | 125.8° |
N1X | C1B | H1B | 109.5° | 109.6° |
N1X | C1B | H1BA | 109.5° | 109.5° |
N1X | C1B | H1BB | 109.5° | 109.4° |
N1X | C1U | C1Q | 134.1° | 131.5° |
N1X | C1U | C1T | 106.4° | 107.7° |
C1Q | C1U | C1T | 119.4° | 120.8° |
C1U | C1Q | CL1F | 120.6° | 121.5° |
C1U | C1Q | C1P | 115.6° | 117.0° |
C1U | C1T | C1I | 124.2° | 120.8° |
C1U | C1T | C1S | 108.6° | 106.8° |
CL1F | C1Q | C1P | 123.6° | 121.5° |
C1Q | C1P | CL1E | 126.3° | 118.9° |
C1Q | C1P | C1H | 122.4° | 122.1° |
CL1E | C1P | C1H | 111.3° | 119.0° |
C1P | C1H | C1I | 120.8° | 122.3° |
C1P | C1H | H1H | 119.6° | 118.9° |
C1H | C1I | C1T | 117.5° | 117.1° |
C1I | C1H | H1H | 119.6° | 118.9° |
C1H | C1I | H1I | 121.3° | 121.5° |
C1I | C1T | C1S | 127.2° | 132.4° |
C1T | C1I | H1I | 121.2° | 121.4° |
C1T | C1S | C1V | 128.8° | 130.9° |
C1S | C1V | C1G | 109.8° | 109.6° |
C1S | C1V | H1V | 109.8° | 109.6° |
C1V | C1G | N1C | 176.6° | 179.9° |
C1G | C1V | H1V | 109.3° | 109.7° |
H1L | C1L | H1LA | 112.5° | 109.6° |
H1J | C1J | H1JA | 111.1° | 109.5° |
H1A | C1A | H1AA | 109.5° | 109.4° |
H1A | C1A | H1AB | 109.5° | 109.4° |
H1AA | C1A | H1AB | 109.5° | 109.5° |
H1K | C1K | H1KA | 111.4° | 109.5° |
H1M | C1M | H1MA | 109.9° | 109.5° |
H1B | C1B | H1BA | 109.4° | 109.5° |
H1B | C1B | H1BB | 109.5° | 109.5° |
H1BA | C1B | H1BB | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1J | C1L | C1Y | H1L | 120.0° | 119.9° |
C1J | C1L | C1Y | H1LA | 118.3° | 119.9° |
C1L | C1J | N1W | H1J | 120.0° | 120.0° |
C1L | C1J | N1W | H1JA | 119.1° | 119.9° |
C1L | C1J | N1W | C1A | 73.0° | 62.5° |
C1L | C1J | N1W | C1K | 51.8° | 61.7° |
C1J | C1L | C1Y | C1M | 55.1° | 58.2° |
C1J | C1L | C1Y | N1N | 61.4° | 60.9° |
C1J | C1L | C1Y | C1V | 177.2° | 176.8° |
C1J | C1L | H1L | H1LA | 118.4° | 120.1° |
C1L | C1J | H1J | H1JA | 119.1° | 120.0° |
C1Y | C1L | C1J | N1W | 52.6° | 59.5° |
C1L | C1Y | C1M | C1K | 57.0° | 58.1° |
C1L | C1Y | C1M | N1N | 115.9° | 119.0° |
C1L | C1Y | C1M | C1V | 119.4° | 118.5° |
C1L | C1Y | N1N | C1V | 118.7° | 120.5° |
C1L | C1Y | N1N | C1O | 87.5° | 79.5° |
C1L | C1Y | C1V | C1S | 77.1° | 73.4° |
C1L | C1Y | C1V | C1G | 163.7° | 166.8° |
C1Y | C1L | H1L | H1LA | 118.5° | 120.1° |
C1Y | C1L | C1J | H1J | 67.4° | 60.5° |
C1Y | C1L | C1J | H1JA | 171.7° | 179.5° |
C1L | C1Y | C1M | H1M | 177.0° | 178.1° |
C1L | C1Y | C1M | H1MA | 62.7° | 61.8° |
C1L | C1Y | N1N | HN1N | 92.5° | 100.6° |
C1L | C1Y | C1V | H1V | 43.4° | 46.4° |
C1J | N1W | C1A | C1K | 125.4° | 124.2° |
C1J | N1W | C1K | C1M | 55.8° | 61.6° |
N1W | C1J | C1L | H1L | 67.4° | 60.4° |
N1W | C1J | C1L | H1LA | 171.0° | 179.4° |
N1W | C1J | H1J | H1JA | 119.1° | 119.9° |
C1J | N1W | C1A | H1A | 3.3° | 60.0° |
C1J | N1W | C1A | H1AA | 123.4° | 180.0° |
C1J | N1W | C1A | H1AB | 116.7° | 60.0° |
C1J | N1W | C1K | H1K | 64.2° | 58.4° |
C1J | N1W | C1K | H1KA | 174.7° | 178.4° |
C1A | N1W | C1K | C1M | 67.4° | 62.5° |
C1A | N1W | C1J | H1J | 167.0° | 177.5° |
C1A | N1W | C1J | H1JA | 46.1° | 57.5° |
N1W | C1A | H1A | H1AA | 120.0° | 120.0° |
N1W | C1A | H1A | H1AB | 120.0° | 120.0° |
N1W | C1A | H1AA | H1AB | 120.0° | 120.0° |
C1A | N1W | C1K | H1K | 172.6° | 177.5° |
C1A | N1W | C1K | H1KA | 51.6° | 57.5° |
N1W | C1K | C1M | H1K | 120.0° | 120.0° |
N1W | C1K | C1M | H1KA | 119.0° | 120.0° |
N1W | C1K | C1M | C1Y | 58.8° | 59.5° |
C1K | N1W | C1J | H1J | 68.2° | 58.4° |
C1K | N1W | C1J | H1JA | 170.9° | 178.4° |
C1K | N1W | C1A | H1A | 122.0° | 64.2° |
C1K | N1W | C1A | H1AA | 2.0° | 55.8° |
C1K | N1W | C1A | H1AB | 117.9° | 175.8° |
N1W | C1K | H1K | H1KA | 119.0° | 120.0° |
N1W | C1K | C1M | H1M | 178.8° | 179.4° |
N1W | C1K | C1M | H1MA | 61.0° | 60.5° |
C1K | C1M | C1Y | H1M | 120.0° | 120.0° |
C1K | C1M | C1Y | H1MA | 119.7° | 120.0° |
C1K | C1M | C1Y | N1N | 58.8° | 60.8° |
C1K | C1M | C1Y | C1V | 176.4° | 176.7° |
C1M | C1K | H1K | H1KA | 119.0° | 120.0° |
C1K | C1M | H1M | H1MA | 119.7° | 120.1° |
C1M | C1Y | N1N | C1V | 125.0° | 120.8° |
C1M | C1Y | N1N | C1O | 156.2° | 161.8° |
C1M | C1Y | C1V | C1S | 163.7° | 168.2° |
C1M | C1Y | C1V | C1G | 44.4° | 48.4° |
C1M | C1Y | C1L | H1L | 64.9° | 61.8° |
C1M | C1Y | C1L | H1LA | 173.4° | 178.0° |
C1Y | C1M | C1K | H1K | 61.2° | 60.5° |
C1Y | C1M | C1K | H1KA | 177.8° | 179.5° |
C1Y | C1M | H1M | H1MA | 119.8° | 120.1° |
C1M | C1Y | N1N | HN1N | 23.8° | 18.1° |
C1M | C1Y | C1V | H1V | 75.8° | 72.0° |
C1Y | N1N | C1O | HN1N | 180.0° | 179.9° |
C1Y | N1N | C1O | O1D | 178.0° | 169.4° |
C1Y | N1N | C1O | C1R | 0.5° | 10.6° |
N1N | C1Y | C1V | C1S | 41.1° | 47.3° |
N1N | C1Y | C1V | C1G | 78.1° | 72.5° |
N1N | C1Y | C1L | H1L | 178.6° | 179.2° |
N1N | C1Y | C1L | H1LA | 56.9° | 59.0° |
N1N | C1Y | C1M | H1M | 61.1° | 59.1° |
N1N | C1Y | C1M | H1MA | 178.6° | 179.2° |
N1N | C1Y | C1V | H1V | 161.6° | 167.1° |
C1V | C1Y | N1N | C1O | 31.2° | 41.1° |
C1Y | C1V | C1S | C1R | 28.3° | 29.8° |
C1Y | C1V | C1S | C1T | 149.3° | 150.6° |
C1Y | C1V | C1S | C1G | 118.6° | 119.8° |
C1Y | C1V | C1S | H1V | 121.2° | 119.8° |
C1Y | C1V | C1G | H1V | 121.2° | 120.4° |
C1Y | C1V | C1G | N1C | 69.9° | 9.2° |
C1V | C1Y | C1L | H1L | 57.3° | 56.9° |
C1V | C1Y | C1L | H1LA | 64.4° | 63.3° |
C1V | C1Y | C1M | H1M | 63.6° | 63.4° |
C1V | C1Y | C1M | H1MA | 56.7° | 56.7° |
C1V | C1Y | N1N | HN1N | 148.8° | 138.9° |
N1N | C1O | O1D | C1R | 177.3° | 180.0° |
N1N | C1O | C1R | N1X | 163.9° | 170.1° |
N1N | C1O | C1R | C1S | 17.6° | 11.0° |
O1D | C1O | C1R | N1X | 13.4° | 9.9° |
O1D | C1O | C1R | C1S | 165.1° | 169.0° |
O1D | C1O | N1N | HN1N | 2.0° | 10.7° |
C1O | C1R | N1X | C1S | 178.6° | 179.0° |
C1O | C1R | N1X | C1B | 2.2° | 0.4° |
C1O | C1R | N1X | C1U | 179.0° | 179.8° |
C1O | C1R | C1S | C1T | 179.9° | 179.7° |
C1O | C1R | C1S | C1V | 1.9° | 0.7° |
C1R | C1O | N1N | HN1N | 179.5° | 169.3° |
C1R | N1X | C1B | C1U | 176.3° | 179.9° |
C1R | N1X | C1U | C1Q | 177.8° | 179.3° |
C1R | N1X | C1U | C1T | 2.6° | 0.8° |
N1X | C1R | C1S | C1T | 1.2° | 1.3° |
N1X | C1R | C1S | C1V | 179.3° | 178.4° |
C1R | N1X | C1B | H1B | 27.6° | 89.9° |
C1R | N1X | C1B | H1BA | 147.6° | 150.0° |
C1R | N1X | C1B | H1BB | 92.4° | 30.1° |
C1S | C1R | N1X | C1B | 179.2° | 178.6° |
C1S | C1R | N1X | C1U | 2.4° | 1.3° |
C1R | C1S | C1T | C1U | 0.3° | 0.8° |
C1R | C1S | C1T | C1I | 179.6° | 179.1° |
C1R | C1S | C1T | C1V | 177.9° | 179.6° |
C1R | C1S | C1V | C1G | 90.2° | 90.0° |
C1R | C1S | C1V | H1V | 149.5° | 149.6° |
C1B | N1X | C1U | C1Q | 5.4° | 0.8° |
C1B | N1X | C1U | C1T | 179.4° | 179.1° |
N1X | C1B | H1B | H1BA | 120.0° | 120.1° |
N1X | C1B | H1B | H1BB | 120.0° | 120.0° |
N1X | C1B | H1BA | H1BB | 120.0° | 119.9° |
N1X | C1U | C1Q | C1T | 174.8° | 179.9° |
N1X | C1U | C1Q | CL1F | 4.9° | 0.0° |
N1X | C1U | C1Q | C1P | 179.0° | 179.9° |
N1X | C1U | C1T | C1I | 179.0° | 179.9° |
N1X | C1U | C1T | C1S | 1.8° | 0.0° |
C1U | N1X | C1B | H1B | 156.1° | 89.9° |
C1U | N1X | C1B | H1BA | 36.1° | 30.1° |
C1U | N1X | C1B | H1BB | 83.9° | 150.1° |
C1U | C1Q | CL1F | C1P | 175.8° | 179.9° |
C1U | C1Q | C1P | CL1E | 176.4° | 180.0° |
C1U | C1Q | C1P | C1H | 3.1° | 0.1° |
C1Q | C1U | C1T | C1I | 2.9° | 0.2° |
C1Q | C1U | C1T | C1S | 177.9° | 179.9° |
C1T | C1U | C1Q | CL1F | 179.7° | 179.9° |
C1T | C1U | C1Q | C1P | 4.2° | 0.2° |
C1U | C1T | C1I | C1H | 0.0° | 0.1° |
C1U | C1T | C1I | C1S | 179.1° | 179.9° |
C1U | C1T | C1S | C1V | 177.6° | 178.8° |
C1U | C1T | C1I | H1I | 180.0° | 179.9° |
CL1F | C1Q | C1P | CL1E | 0.4° | 0.0° |
CL1F | C1Q | C1P | C1H | 179.0° | 180.0° |
C1Q | C1P | CL1E | C1H | 179.5° | 179.9° |
C1Q | C1P | C1H | C1I | 0.3° | 0.0° |
C1Q | C1P | C1H | H1H | 179.7° | 179.9° |
CL1E | C1P | C1H | C1I | 179.3° | 180.0° |
CL1E | C1P | C1H | H1H | 0.7° | 0.0° |
C1P | C1H | C1I | H1H | 180.0° | 180.0° |
C1P | C1H | C1I | C1T | 1.3° | 0.0° |
C1P | C1H | C1I | H1I | 178.7° | 180.0° |
C1H | C1I | C1T | H1I | 180.0° | 180.0° |
C1H | C1I | C1T | C1S | 179.1° | 180.0° |
C1I | C1T | C1S | C1V | 1.6° | 1.3° |
C1T | C1I | C1H | H1H | 178.7° | 179.9° |
C1T | C1S | C1V | C1G | 92.2° | 89.5° |
C1S | C1T | C1I | H1I | 0.9° | 0.0° |
C1T | C1S | C1V | H1V | 28.1° | 30.8° |
C1S | C1V | C1G | H1V | 120.6° | 120.3° |
C1S | C1V | C1G | N1C | 171.9° | 128.6° |
N1C | C1G | C1V | H1V | 51.3° | 111.1° |
H1L | C1L | C1J | H1J | 172.6° | 179.6° |
H1L | C1L | C1J | H1JA | 51.7° | 59.5° |
H1LA | C1L | C1J | H1J | 51.0° | 59.4° |
H1LA | C1L | C1J | H1JA | 69.9° | 60.7° |
H1A | C1A | H1AA | H1AB | 120.0° | 120.0° |
H1K | C1K | C1M | H1M | 58.8° | 59.4° |
H1K | C1K | C1M | H1MA | 179.0° | 179.5° |
H1KA | C1K | C1M | H1M | 62.2° | 60.6° |
H1KA | C1K | C1M | H1MA | 58.0° | 59.5° |
H1B | C1B | H1BA | H1BB | 120.0° | 119.9° |
H1H | C1H | C1I | H1I | 1.3° | 0.0° |