MB9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1K | C1I | sing | 1.53Å | 1.53Å | |
C1K | C1W | sing | 1.53Å | 1.50Å | |
C1I | N1M | sing | 1.47Å | 1.50Å | |
N1M | C1J | sing | 1.47Å | 1.47Å | |
C1J | C1L | sing | 1.53Å | 1.52Å | |
C1L | C1W | sing | 1.53Å | 1.54Å | |
C1W | N1N | sing | 1.46Å | 1.48Å | |
C1W | C1U | sing | 1.53Å | 1.52Å | |
N1N | C1O | sing | 1.35Å | 1.38Å | |
C1O | O1C | doub | 1.22Å | 1.23Å | |
C1O | C1Q | sing | 1.47Å | 1.39Å | |
C1Q | N1V | sing | 1.37Å | 1.34Å | Aromatic |
C1Q | C1R | doub | 1.37Å | 1.41Å | Aromatic |
N1V | C1A | sing | 1.47Å | 1.48Å | |
N1V | C1T | sing | 1.36Å | 1.34Å | Aromatic |
C1T | C1H | doub | 1.39Å | 1.40Å | Aromatic |
C1T | C1S | sing | 1.42Å | 1.40Å | Aromatic |
C1H | C1P | sing | 1.39Å | 1.39Å | Aromatic |
C1P | CL1D | sing | 1.74Å | 1.73Å | |
C1P | C1F | doub | 1.39Å | 1.40Å | Aromatic |
C1F | C1G | sing | 1.37Å | 1.39Å | Aromatic |
C1G | C1S | doub | 1.40Å | 1.39Å | Aromatic |
C1S | C1R | sing | 1.39Å | 1.40Å | Aromatic |
C1R | C1U | sing | 1.51Å | 1.53Å | |
C1U | C1E | sing | 1.47Å | 1.47Å | |
C1E | N1B | trip | 1.14Å | 1.13Å | |
C1K | H1K | sing | 1.09Å | 1.10Å | |
C1K | H1KA | sing | 1.09Å | 1.10Å | |
C1I | H1I | sing | 1.09Å | 1.10Å | |
C1I | H1IA | sing | 1.09Å | 1.10Å | |
N1M | HN1M | sing | 1.01Å | 1.00Å | |
C1J | H1J | sing | 1.09Å | 1.10Å | |
C1J | H1JA | sing | 1.09Å | 1.10Å | |
C1L | H1L | sing | 1.09Å | 1.10Å | |
C1L | H1LA | sing | 1.09Å | 1.10Å | |
N1N | HN1N | sing | 0.97Å | 1.00Å | |
C1A | H1A | sing | 1.09Å | 1.10Å | |
C1A | H1AA | sing | 1.09Å | 1.10Å | |
C1A | H1AB | sing | 1.09Å | 1.10Å | |
C1H | H1H | sing | 1.08Å | 1.08Å | |
C1F | H1F | sing | 1.08Å | 1.08Å | |
C1G | H1G | sing | 1.08Å | 1.08Å | |
C1U | H1U | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1I | C1K | C1W | 114.0° | 109.3° |
C1K | C1I | N1M | 113.4° | 109.5° |
C1I | C1K | H1K | 108.0° | 109.5° |
C1I | C1K | H1KA | 107.0° | 109.6° |
C1K | C1I | H1I | 108.2° | 109.5° |
C1K | C1I | H1IA | 107.3° | 109.5° |
C1K | C1W | C1L | 110.9° | 108.7° |
C1K | C1W | N1N | 107.6° | 109.1° |
C1K | C1W | C1U | 111.7° | 108.9° |
C1W | C1K | H1K | 108.0° | 109.5° |
C1W | C1K | H1KA | 106.9° | 109.5° |
C1I | N1M | C1J | 114.0° | 111.1° |
N1M | C1I | H1I | 108.2° | 109.4° |
N1M | C1I | H1IA | 107.3° | 109.4° |
C1I | N1M | HN1M | 108.0° | 111.0° |
N1M | C1J | C1L | 111.2° | 109.6° |
C1J | N1M | HN1M | 108.0° | 111.0° |
N1M | C1J | H1J | 108.9° | 109.4° |
N1M | C1J | H1JA | 108.5° | 109.4° |
C1J | C1L | C1W | 111.8° | 109.2° |
C1L | C1J | H1J | 108.9° | 109.5° |
C1L | C1J | H1JA | 108.5° | 109.5° |
C1J | C1L | H1L | 108.7° | 109.5° |
C1J | C1L | H1LA | 108.1° | 109.5° |
C1L | C1W | N1N | 104.9° | 109.2° |
C1L | C1W | C1U | 108.9° | 109.0° |
C1W | C1L | H1L | 108.7° | 109.5° |
C1W | C1L | H1LA | 108.1° | 109.5° |
N1N | C1W | C1U | 112.8° | 111.9° |
C1W | N1N | C1O | 119.9° | 122.4° |
C1W | N1N | HN1N | 120.0° | 118.8° |
C1W | C1U | C1R | 109.4° | 109.0° |
C1W | C1U | C1E | 111.6° | 109.5° |
C1W | C1U | H1U | 108.0° | 109.5° |
N1N | C1O | O1C | 116.6° | 121.4° |
N1N | C1O | C1Q | 120.3° | 117.2° |
C1O | N1N | HN1N | 120.1° | 118.8° |
O1C | C1O | C1Q | 121.4° | 121.4° |
C1O | C1Q | N1V | 132.8° | 130.2° |
C1O | C1Q | C1R | 120.0° | 120.4° |
N1V | C1Q | C1R | 107.2° | 109.4° |
C1Q | N1V | C1A | 124.4° | 125.7° |
C1Q | N1V | C1T | 111.6° | 108.5° |
C1Q | C1R | C1S | 106.8° | 107.6° |
C1Q | C1R | C1U | 122.1° | 121.5° |
C1A | N1V | C1T | 123.9° | 125.8° |
N1V | C1A | H1A | 109.5° | 109.5° |
N1V | C1A | H1AA | 109.4° | 109.5° |
N1V | C1A | H1AB | 109.5° | 109.5° |
N1V | C1T | C1H | 132.3° | 131.6° |
N1V | C1T | C1S | 107.7° | 107.7° |
C1H | C1T | C1S | 120.0° | 120.8° |
C1T | C1H | C1P | 118.2° | 117.0° |
C1T | C1H | H1H | 120.9° | 121.5° |
C1T | C1S | C1G | 121.0° | 120.8° |
C1T | C1S | C1R | 106.7° | 106.8° |
C1H | C1P | CL1D | 118.1° | 119.0° |
C1H | C1P | C1F | 121.9° | 122.1° |
C1P | C1H | H1H | 120.9° | 121.5° |
CL1D | C1P | C1F | 120.0° | 118.9° |
C1P | C1F | C1G | 119.5° | 122.2° |
C1P | C1F | H1F | 120.2° | 118.9° |
C1F | C1G | C1S | 119.3° | 117.1° |
C1G | C1F | H1F | 120.2° | 118.9° |
C1F | C1G | H1G | 120.4° | 121.4° |
C1G | C1S | C1R | 132.3° | 132.4° |
C1S | C1G | H1G | 120.4° | 121.5° |
C1S | C1R | C1U | 131.0° | 130.9° |
C1R | C1U | C1E | 109.2° | 109.6° |
C1R | C1U | H1U | 110.4° | 109.6° |
C1U | C1E | N1B | 177.5° | 180.0° |
C1E | C1U | H1U | 108.1° | 109.6° |
H1K | C1K | H1KA | 113.1° | 109.5° |
H1I | C1I | H1IA | 112.6° | 109.5° |
H1J | C1J | H1JA | 110.8° | 109.4° |
H1L | C1L | H1LA | 111.3° | 109.6° |
H1A | C1A | H1AA | 109.5° | 109.5° |
H1A | C1A | H1AB | 109.4° | 109.4° |
H1AA | C1A | H1AB | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1I | C1K | C1W | H1K | 120.0° | 119.9° |
C1I | C1K | C1W | H1KA | 118.0° | 120.0° |
C1K | C1I | N1M | H1I | 120.0° | 120.0° |
C1K | C1I | N1M | H1IA | 118.3° | 120.0° |
C1K | C1I | N1M | C1J | 48.9° | 61.6° |
C1I | C1K | C1W | C1L | 48.7° | 58.2° |
C1I | C1K | C1W | N1N | 65.4° | 60.9° |
C1I | C1K | C1W | C1U | 170.3° | 176.7° |
C1I | C1K | H1K | H1KA | 118.2° | 120.2° |
C1K | C1I | H1I | H1IA | 118.4° | 120.0° |
C1K | C1I | N1M | HN1M | 71.1° | 62.4° |
C1W | C1K | C1I | N1M | 46.6° | 59.5° |
C1K | C1W | C1L | C1J | 53.6° | 58.1° |
C1K | C1W | C1L | N1N | 115.8° | 119.0° |
C1K | C1W | C1L | C1U | 123.2° | 118.5° |
C1K | C1W | N1N | C1U | 123.6° | 120.5° |
C1K | C1W | N1N | C1O | 166.3° | 161.2° |
C1K | C1W | C1U | C1R | 163.8° | 167.4° |
C1K | C1W | C1U | C1E | 42.7° | 47.6° |
C1W | C1K | H1K | H1KA | 118.1° | 120.1° |
C1W | C1K | C1I | H1I | 166.5° | 179.5° |
C1W | C1K | C1I | H1IA | 71.7° | 60.4° |
C1K | C1W | C1L | H1L | 66.5° | 61.8° |
C1K | C1W | C1L | H1LA | 172.5° | 178.0° |
C1K | C1W | N1N | HN1N | 13.7° | 18.7° |
C1K | C1W | C1U | H1U | 76.0° | 72.7° |
C1I | N1M | C1J | HN1M | 120.0° | 124.0° |
C1I | N1M | C1J | C1L | 53.8° | 61.6° |
N1M | C1I | C1K | H1K | 166.5° | 179.5° |
N1M | C1I | C1K | H1KA | 71.4° | 60.4° |
N1M | C1I | H1I | H1IA | 118.4° | 119.9° |
C1I | N1M | C1J | H1J | 173.8° | 178.3° |
C1I | N1M | C1J | H1JA | 65.4° | 58.5° |
N1M | C1J | C1L | H1J | 120.0° | 120.0° |
N1M | C1J | C1L | H1JA | 119.3° | 120.0° |
N1M | C1J | C1L | C1W | 56.1° | 59.4° |
C1J | N1M | C1I | H1I | 168.9° | 178.3° |
C1J | N1M | C1I | H1IA | 69.3° | 58.4° |
N1M | C1J | H1J | H1JA | 119.3° | 119.9° |
N1M | C1J | C1L | H1L | 63.9° | 60.4° |
N1M | C1J | C1L | H1LA | 175.1° | 179.3° |
C1J | C1L | C1W | H1L | 120.0° | 119.9° |
C1J | C1L | C1W | H1LA | 119.0° | 119.9° |
C1J | C1L | C1W | N1N | 62.2° | 60.9° |
C1J | C1L | C1W | C1U | 176.8° | 176.6° |
C1L | C1J | N1M | HN1M | 66.2° | 62.5° |
C1L | C1J | H1J | H1JA | 119.2° | 120.0° |
C1J | C1L | H1L | H1LA | 119.0° | 120.1° |
C1L | C1W | N1N | C1U | 118.3° | 120.7° |
C1L | C1W | N1N | C1O | 75.6° | 80.1° |
C1L | C1W | C1U | C1R | 73.5° | 74.1° |
C1L | C1W | C1U | C1E | 165.5° | 166.0° |
C1L | C1W | C1K | H1K | 168.7° | 178.1° |
C1L | C1W | C1K | H1KA | 69.3° | 61.8° |
C1W | C1L | C1J | H1J | 176.2° | 179.5° |
C1W | C1L | C1J | H1JA | 63.1° | 60.6° |
C1W | C1L | H1L | H1LA | 119.0° | 120.1° |
C1L | C1W | N1N | HN1N | 104.4° | 100.0° |
C1L | C1W | C1U | H1U | 46.7° | 45.7° |
C1W | N1N | C1O | HN1N | 180.0° | 179.9° |
C1W | N1N | C1O | O1C | 177.3° | 169.3° |
C1W | N1N | C1O | C1Q | 17.1° | 10.7° |
N1N | C1W | C1U | C1R | 42.4° | 46.7° |
N1N | C1W | C1U | C1E | 78.6° | 73.1° |
N1N | C1W | C1K | H1K | 54.5° | 59.1° |
N1N | C1W | C1K | H1KA | 176.6° | 179.1° |
N1N | C1W | C1L | H1L | 177.7° | 179.2° |
N1N | C1W | C1L | H1LA | 56.7° | 59.0° |
N1N | C1W | C1U | H1U | 162.7° | 166.6° |
C1U | C1W | N1N | C1O | 42.7° | 40.7° |
C1W | C1U | C1R | C1Q | 23.2° | 29.5° |
C1W | C1U | C1R | C1S | 158.1° | 151.1° |
C1W | C1U | C1R | C1E | 122.5° | 119.9° |
C1W | C1U | C1R | H1U | 118.7° | 119.8° |
C1W | C1U | C1E | H1U | 118.6° | 120.2° |
C1W | C1U | C1E | N1B | 67.3° | 156.9° |
C1U | C1W | C1K | H1K | 69.8° | 63.3° |
C1U | C1W | C1K | H1KA | 52.3° | 56.7° |
C1U | C1W | C1L | H1L | 56.8° | 56.7° |
C1U | C1W | C1L | H1LA | 64.2° | 63.5° |
C1U | C1W | N1N | HN1N | 137.3° | 139.3° |
N1N | C1O | O1C | C1Q | 165.4° | 180.0° |
N1N | C1O | C1Q | N1V | 177.7° | 170.5° |
N1N | C1O | C1Q | C1R | 5.7° | 10.7° |
O1C | C1O | C1Q | N1V | 17.5° | 9.5° |
O1C | C1O | C1Q | C1R | 159.1° | 169.3° |
O1C | C1O | N1N | HN1N | 2.7° | 10.8° |
C1O | C1Q | N1V | C1R | 176.9° | 178.9° |
C1O | C1Q | N1V | C1A | 5.1° | 0.2° |
C1O | C1Q | N1V | C1T | 177.2° | 179.9° |
C1O | C1Q | C1R | C1S | 177.6° | 179.7° |
C1O | C1Q | C1R | C1U | 1.3° | 0.8° |
C1Q | C1O | N1N | HN1N | 162.8° | 169.2° |
C1Q | N1V | C1A | C1T | 177.4° | 179.9° |
C1Q | N1V | C1T | C1H | 177.5° | 179.5° |
C1Q | N1V | C1T | C1S | 0.3° | 0.6° |
N1V | C1Q | C1R | C1S | 0.2° | 1.3° |
N1V | C1Q | C1R | C1U | 178.7° | 178.2° |
C1Q | N1V | C1A | H1A | 139.4° | 90.0° |
C1Q | N1V | C1A | H1AA | 100.6° | 150.0° |
C1Q | N1V | C1A | H1AB | 19.5° | 30.0° |
C1R | C1Q | N1V | C1A | 178.0° | 178.8° |
C1R | C1Q | N1V | C1T | 0.3° | 1.2° |
C1Q | C1R | C1S | C1T | 0.1° | 0.8° |
C1Q | C1R | C1S | C1G | 179.5° | 179.2° |
C1Q | C1R | C1S | C1U | 178.8° | 179.4° |
C1Q | C1R | C1U | C1E | 99.2° | 90.3° |
C1Q | C1R | C1U | H1U | 141.9° | 149.4° |
C1A | N1V | C1T | C1H | 0.2° | 0.6° |
C1A | N1V | C1T | C1S | 177.9° | 179.3° |
N1V | C1A | H1A | H1AA | 120.0° | 120.0° |
N1V | C1A | H1A | H1AB | 120.0° | 120.0° |
N1V | C1A | H1AA | H1AB | 120.0° | 120.0° |
N1V | C1T | C1H | C1S | 177.5° | 179.9° |
N1V | C1T | C1H | C1P | 179.6° | 180.0° |
N1V | C1T | C1S | C1G | 179.4° | 179.9° |
N1V | C1T | C1S | C1R | 0.1° | 0.1° |
C1T | N1V | C1A | H1A | 43.2° | 89.9° |
C1T | N1V | C1A | H1AA | 76.8° | 30.1° |
C1T | N1V | C1A | H1AB | 163.2° | 150.1° |
N1V | C1T | C1H | H1H | 0.5° | 0.0° |
C1T | C1H | C1P | H1H | 180.0° | 179.9° |
C1T | C1H | C1P | CL1D | 178.8° | 180.0° |
C1T | C1H | C1P | C1F | 1.0° | 0.1° |
C1H | C1T | C1S | C1G | 2.5° | 0.2° |
C1H | C1T | C1S | C1R | 178.0° | 179.8° |
C1S | C1T | C1H | C1P | 2.9° | 0.1° |
C1T | C1S | C1G | C1F | 0.1° | 0.1° |
C1T | C1S | C1G | C1R | 179.4° | 180.0° |
C1T | C1S | C1R | C1U | 178.7° | 178.6° |
C1S | C1T | C1H | H1H | 177.1° | 179.9° |
C1T | C1S | C1G | H1G | 179.9° | 179.9° |
C1H | C1P | CL1D | C1F | 179.8° | 180.0° |
C1H | C1P | C1F | C1G | 1.4° | 0.0° |
C1H | C1P | C1F | H1F | 178.6° | 179.9° |
CL1D | C1P | C1F | C1G | 178.8° | 180.0° |
CL1D | C1P | C1H | H1H | 1.2° | 0.0° |
CL1D | C1P | C1F | H1F | 1.2° | 0.1° |
C1P | C1F | C1G | H1F | 180.0° | 179.9° |
C1P | C1F | C1G | C1S | 1.8° | 0.1° |
C1F | C1P | C1H | H1H | 179.0° | 180.0° |
C1P | C1F | C1G | H1G | 178.2° | 179.9° |
C1F | C1G | C1S | H1G | 180.0° | 180.0° |
C1F | C1G | C1S | C1R | 179.4° | 179.8° |
C1G | C1S | C1R | C1U | 0.7° | 1.4° |
C1S | C1G | C1F | H1F | 178.2° | 180.0° |
C1S | C1R | C1U | C1E | 79.4° | 89.0° |
C1R | C1S | C1G | H1G | 0.5° | 0.2° |
C1S | C1R | C1U | H1U | 39.4° | 31.3° |
C1R | C1U | C1E | H1U | 120.2° | 120.3° |
C1R | C1U | C1E | N1B | 53.8° | 83.6° |
N1B | C1E | C1U | H1U | 174.1° | 36.6° |
H1K | C1K | C1I | H1I | 73.5° | 60.6° |
H1K | C1K | C1I | H1IA | 48.2° | 59.5° |
H1KA | C1K | C1I | H1I | 48.6° | 59.6° |
H1KA | C1K | C1I | H1IA | 170.3° | 179.6° |
H1I | C1I | N1M | HN1M | 48.9° | 57.6° |
H1IA | C1I | N1M | HN1M | 170.7° | 177.6° |
HN1M | N1M | C1J | H1J | 53.8° | 57.6° |
HN1M | N1M | C1J | H1JA | 174.5° | 177.5° |
H1J | C1J | C1L | H1L | 56.1° | 59.6° |
H1J | C1J | C1L | H1LA | 64.9° | 60.6° |
H1JA | C1J | C1L | H1L | 176.9° | 179.6° |
H1JA | C1J | C1L | H1LA | 55.8° | 59.3° |
H1A | C1A | H1AA | H1AB | 120.0° | 119.9° |
H1F | C1F | C1G | H1G | 1.8° | 0.0° |