55V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1P | O1O | sing | 1.43Å | 1.47Å | |
| C1P | H1P | sing | 1.09Å | 1.10Å | |
| C1P | H1PA | sing | 1.09Å | 1.10Å | |
| C1P | H1PB | sing | 1.09Å | 1.10Å | |
| O1O | C1N | sing | 1.36Å | 1.37Å | |
| C1M | C1N | doub | 1.39Å | 1.40Å | Aromatic |
| C1N | C1Q | sing | 1.39Å | 1.41Å | Aromatic |
| C1M | C1L | sing | 1.38Å | 1.39Å | Aromatic |
| C1M | H1M | sing | 1.08Å | 1.08Å | |
| C1Q | O1V | sing | 1.36Å | 1.39Å | |
| C1Q | C1R | doub | 1.39Å | 1.40Å | Aromatic |
| O1V | C1W | sing | 1.43Å | 1.44Å | |
| C1W | H1W | sing | 1.09Å | 1.10Å | |
| C1W | H1WA | sing | 1.09Å | 1.10Å | |
| C1W | H1WB | sing | 1.09Å | 1.10Å | |
| C1S | C1R | sing | 1.39Å | 1.40Å | Aromatic |
| C1R | O1T | sing | 1.36Å | 1.36Å | |
| O1T | C1U | sing | 1.43Å | 1.44Å | |
| C1U | H1U | sing | 1.09Å | 1.10Å | |
| C1U | H1UA | sing | 1.09Å | 1.10Å | |
| C1U | H1UB | sing | 1.09Å | 1.10Å | |
| C1L | C1S | doub | 1.38Å | 1.39Å | Aromatic |
| C1S | H1S | sing | 1.08Å | 1.08Å | |
| C1J | C1L | sing | 1.51Å | 1.55Å | |
| C1K | C1J | sing | 1.53Å | 1.54Å | |
| C1J | C1I | sing | 1.47Å | 1.48Å | |
| C1J | C1X | sing | 1.53Å | 1.52Å | |
| C1K | H1K | sing | 1.09Å | 1.10Å | |
| C1K | H1KA | sing | 1.09Å | 1.10Å | |
| C1K | H1KB | sing | 1.09Å | 1.10Å | |
| C1X | H1X | sing | 1.09Å | 1.10Å | |
| C1X | H1XA | sing | 1.09Å | 1.10Å | |
| C1X | H1XB | sing | 1.09Å | 1.10Å | |
| C1I | C1H | trip | 1.17Å | 1.23Å | |
| C1H | C5 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C1Y | C4 | sing | 1.51Å | 1.54Å | |
| C4 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C1Y | H1Y | sing | 1.09Å | 1.10Å | |
| C1Y | H1YA | sing | 1.09Å | 1.10Å | |
| C1Y | H1YB | sing | 1.09Å | 1.10Å | |
| N3 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | N1Z | sing | 1.38Å | 1.33Å | |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N1Z | HN1Z | sing | 0.97Å | 1.00Å | |
| N1Z | HN1A | sing | 0.97Å | 1.00Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| C6 | N1G | sing | 1.38Å | 1.33Å | |
| N1G | HN1G | sing | 0.97Å | 1.00Å | |
| N1G | HN1B | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1O | C1P | H1P | 109.5° | 109.4° |
| O1O | C1P | H1PA | 109.5° | 109.5° |
| O1O | C1P | H1PB | 109.4° | 109.5° |
| C1P | O1O | C1N | 115.4° | 117.0° |
| H1P | C1P | H1PA | 109.4° | 109.5° |
| H1P | C1P | H1PB | 109.5° | 109.4° |
| H1PA | C1P | H1PB | 109.5° | 109.5° |
| O1O | C1N | C1M | 120.6° | 120.1° |
| O1O | C1N | C1Q | 119.2° | 120.0° |
| C1M | C1N | C1Q | 120.1° | 119.9° |
| C1N | C1M | C1L | 120.8° | 120.1° |
| C1N | C1M | H1M | 119.6° | 120.0° |
| C1N | C1Q | O1V | 121.4° | 120.1° |
| C1N | C1Q | C1R | 119.1° | 119.8° |
| C1L | C1M | H1M | 119.6° | 119.9° |
| C1M | C1L | C1S | 118.7° | 120.2° |
| C1M | C1L | C1J | 121.0° | 119.9° |
| O1V | C1Q | C1R | 119.5° | 120.1° |
| C1Q | O1V | C1W | 116.7° | 117.0° |
| C1Q | C1R | C1S | 120.0° | 119.9° |
| C1Q | C1R | O1T | 119.1° | 120.0° |
| O1V | C1W | H1W | 109.5° | 109.5° |
| O1V | C1W | H1WA | 109.5° | 109.5° |
| O1V | C1W | H1WB | 109.4° | 109.4° |
| H1W | C1W | H1WA | 109.4° | 109.5° |
| H1W | C1W | H1WB | 109.5° | 109.4° |
| H1WA | C1W | H1WB | 109.5° | 109.5° |
| C1S | C1R | O1T | 121.0° | 120.1° |
| C1R | C1S | C1L | 121.2° | 120.1° |
| C1R | C1S | H1S | 119.4° | 120.0° |
| C1R | O1T | C1U | 114.7° | 117.0° |
| O1T | C1U | H1U | 109.5° | 109.5° |
| O1T | C1U | H1UA | 109.5° | 109.4° |
| O1T | C1U | H1UB | 109.5° | 109.4° |
| H1U | C1U | H1UA | 109.4° | 109.5° |
| H1U | C1U | H1UB | 109.4° | 109.5° |
| H1UA | C1U | H1UB | 109.5° | 109.5° |
| C1L | C1S | H1S | 119.4° | 119.9° |
| C1S | C1L | C1J | 120.2° | 119.9° |
| C1L | C1J | C1K | 110.7° | 109.5° |
| C1L | C1J | C1I | 112.9° | 109.4° |
| C1L | C1J | C1X | 108.6° | 109.5° |
| C1K | C1J | C1I | 102.0° | 109.5° |
| C1K | C1J | C1X | 111.3° | 109.5° |
| C1J | C1K | H1K | 109.5° | 109.5° |
| C1J | C1K | H1KA | 109.5° | 109.5° |
| C1J | C1K | H1KB | 109.4° | 109.4° |
| C1I | C1J | C1X | 111.3° | 109.5° |
| C1J | C1I | C1H | 175.1° | 179.9° |
| C1J | C1X | H1X | 109.5° | 109.5° |
| C1J | C1X | H1XA | 109.4° | 109.5° |
| C1J | C1X | H1XB | 109.5° | 109.5° |
| H1K | C1K | H1KA | 109.5° | 109.5° |
| H1K | C1K | H1KB | 109.5° | 109.5° |
| H1KA | C1K | H1KB | 109.5° | 109.5° |
| H1X | C1X | H1XA | 109.5° | 109.5° |
| H1X | C1X | H1XB | 109.5° | 109.5° |
| H1XA | C1X | H1XB | 109.5° | 109.4° |
| C1I | C1H | C5 | 174.1° | 180.0° |
| C1H | C5 | C4 | 118.3° | 120.9° |
| C1H | C5 | C6 | 123.3° | 120.9° |
| C4 | C5 | C6 | 118.3° | 118.2° |
| C5 | C4 | C1Y | 121.8° | 120.4° |
| C5 | C4 | N3 | 119.5° | 119.1° |
| C5 | C6 | N1 | 118.7° | 118.9° |
| C5 | C6 | N1G | 123.6° | 120.6° |
| C1Y | C4 | N3 | 118.7° | 120.5° |
| C4 | C1Y | H1Y | 109.5° | 109.5° |
| C4 | C1Y | H1YA | 109.5° | 109.5° |
| C4 | C1Y | H1YB | 109.4° | 109.4° |
| C4 | N3 | C2 | 121.0° | 121.1° |
| H1Y | C1Y | H1YA | 109.5° | 109.6° |
| H1Y | C1Y | H1YB | 109.5° | 109.4° |
| H1YA | C1Y | H1YB | 109.5° | 109.5° |
| N3 | C2 | N1Z | 119.8° | 119.0° |
| N3 | C2 | N1 | 120.3° | 122.0° |
| N1Z | C2 | N1 | 119.9° | 119.0° |
| C2 | N1Z | HN1Z | 109.5° | 119.9° |
| C2 | N1Z | HN1A | 109.5° | 120.0° |
| C2 | N1 | C6 | 122.1° | 120.8° |
| HN1Z | N1Z | HN1A | 109.5° | 120.1° |
| N1 | C6 | N1G | 117.7° | 120.6° |
| C6 | N1G | HN1G | 109.5° | 120.0° |
| C6 | N1G | HN1B | 109.5° | 120.0° |
| HN1G | N1G | HN1B | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1O | C1P | H1P | H1PA | 120.0° | 120.0° |
| O1O | C1P | H1P | H1PB | 120.0° | 120.0° |
| O1O | C1P | H1PA | H1PB | 120.0° | 120.0° |
| C1P | O1O | C1N | C1M | 2.8° | 0.3° |
| C1P | O1O | C1N | C1Q | 177.1° | 180.0° |
| H1P | C1P | H1PA | H1PB | 120.0° | 120.0° |
| H1P | C1P | O1O | C1N | 95.8° | 60.0° |
| H1PA | C1P | O1O | C1N | 24.2° | 60.0° |
| H1PB | C1P | O1O | C1N | 144.3° | 180.0° |
| O1O | C1N | C1M | C1Q | 180.0° | 179.8° |
| O1O | C1N | C1M | C1L | 180.0° | 180.0° |
| O1O | C1N | C1M | H1M | 0.0° | 0.0° |
| O1O | C1N | C1Q | O1V | 1.8° | 0.0° |
| O1O | C1N | C1Q | C1R | 180.0° | 180.0° |
| C1N | C1M | C1L | H1M | 180.0° | 180.0° |
| C1M | C1N | C1Q | O1V | 178.2° | 179.8° |
| C1M | C1N | C1Q | C1R | 0.0° | 0.2° |
| C1N | C1M | C1L | C1S | 0.2° | 0.0° |
| C1N | C1M | C1L | C1J | 179.5° | 180.0° |
| C1Q | C1N | C1M | C1L | 0.0° | 0.2° |
| C1Q | C1N | C1M | H1M | 180.0° | 179.8° |
| C1N | C1Q | O1V | C1R | 178.1° | 180.0° |
| C1N | C1Q | O1V | C1W | 81.8° | 90.0° |
| C1N | C1Q | C1R | C1S | 0.3° | 0.0° |
| C1N | C1Q | C1R | O1T | 179.7° | 180.0° |
| C1M | C1L | C1S | C1R | 0.5° | 0.2° |
| C1M | C1L | C1S | C1J | 179.4° | 180.0° |
| C1M | C1L | C1S | H1S | 179.5° | 180.0° |
| C1M | C1L | C1J | C1K | 46.0° | 60.0° |
| C1M | C1L | C1J | C1I | 159.7° | 60.0° |
| C1M | C1L | C1J | C1X | 76.4° | 180.0° |
| H1M | C1M | C1L | C1S | 179.8° | 180.0° |
| H1M | C1M | C1L | C1J | 0.5° | 0.0° |
| C1Q | O1V | C1W | H1W | 95.4° | 180.0° |
| C1Q | O1V | C1W | H1WA | 24.6° | 60.0° |
| C1Q | O1V | C1W | H1WB | 144.6° | 60.0° |
| O1V | C1Q | C1R | C1S | 178.5° | 180.0° |
| O1V | C1Q | C1R | O1T | 1.5° | 0.0° |
| C1R | C1Q | O1V | C1W | 100.1° | 90.0° |
| C1Q | C1R | C1S | O1T | 179.9° | 180.0° |
| C1Q | C1R | O1T | C1U | 168.1° | 180.0° |
| C1Q | C1R | C1S | C1L | 0.5° | 0.3° |
| C1Q | C1R | C1S | H1S | 179.4° | 180.0° |
| O1V | C1W | H1W | H1WA | 120.0° | 120.0° |
| O1V | C1W | H1W | H1WB | 120.0° | 120.0° |
| O1V | C1W | H1WA | H1WB | 120.0° | 120.0° |
| H1W | C1W | H1WA | H1WB | 120.0° | 120.0° |
| C1S | C1R | O1T | C1U | 12.0° | 0.0° |
| C1R | C1S | C1L | H1S | 180.0° | 179.8° |
| C1R | C1S | C1L | C1J | 179.8° | 179.7° |
| C1R | O1T | C1U | H1U | 68.3° | 180.0° |
| C1R | O1T | C1U | H1UA | 51.7° | 60.0° |
| C1R | O1T | C1U | H1UB | 171.7° | 60.0° |
| O1T | C1R | C1S | C1L | 179.5° | 179.8° |
| O1T | C1R | C1S | H1S | 0.5° | 0.0° |
| O1T | C1U | H1U | H1UA | 120.0° | 119.9° |
| O1T | C1U | H1U | H1UB | 120.0° | 120.0° |
| O1T | C1U | H1UA | H1UB | 120.0° | 119.9° |
| H1U | C1U | H1UA | H1UB | 119.9° | 120.1° |
| C1S | C1L | C1J | C1K | 134.6° | 120.0° |
| C1S | C1L | C1J | C1I | 21.0° | 120.0° |
| C1S | C1L | C1J | C1X | 103.0° | 0.0° |
| H1S | C1S | C1L | C1J | 0.1° | 0.0° |
| C1L | C1J | C1K | C1I | 120.4° | 120.0° |
| C1L | C1J | C1K | C1X | 120.8° | 120.0° |
| C1L | C1J | C1I | C1X | 122.4° | 120.0° |
| C1L | C1J | C1K | H1K | 1.6° | 60.0° |
| C1L | C1J | C1K | H1KA | 118.4° | 180.0° |
| C1L | C1J | C1K | H1KB | 121.6° | 60.0° |
| C1L | C1J | C1X | H1X | 85.4° | 60.0° |
| C1L | C1J | C1X | H1XA | 154.6° | 180.0° |
| C1L | C1J | C1X | H1XB | 34.6° | 60.0° |
| C1L | C1J | C1I | C1H | 63.6° | 140.7° |
| C1K | C1J | C1I | C1X | 118.8° | 120.0° |
| C1J | C1K | H1K | H1KA | 120.0° | 120.0° |
| C1J | C1K | H1K | H1KB | 120.0° | 120.0° |
| C1J | C1K | H1KA | H1KB | 120.0° | 119.9° |
| C1K | C1J | C1X | H1X | 152.6° | 180.0° |
| C1K | C1J | C1X | H1XA | 32.6° | 60.0° |
| C1K | C1J | C1X | H1XB | 87.4° | 60.0° |
| C1K | C1J | C1I | C1H | 55.3° | 20.7° |
| C1I | C1J | C1K | H1K | 118.8° | 180.0° |
| C1I | C1J | C1K | H1KA | 121.3° | 60.0° |
| C1I | C1J | C1K | H1KB | 1.2° | 60.0° |
| C1I | C1J | C1X | H1X | 39.5° | 60.0° |
| C1I | C1J | C1X | H1XA | 80.5° | 60.1° |
| C1I | C1J | C1X | H1XB | 159.5° | 180.0° |
| C1J | C1I | C1H | C5 | 7.8° | 165.2° |
| C1X | C1J | C1K | H1K | 122.4° | 60.0° |
| C1X | C1J | C1K | H1KA | 2.4° | 60.0° |
| C1X | C1J | C1K | H1KB | 117.6° | 180.0° |
| C1J | C1X | H1X | H1XA | 120.0° | 120.0° |
| C1J | C1X | H1X | H1XB | 120.0° | 120.0° |
| C1J | C1X | H1XA | H1XB | 120.0° | 120.0° |
| C1X | C1J | C1I | C1H | 174.0° | 99.4° |
| H1K | C1K | H1KA | H1KB | 120.0° | 120.0° |
| H1X | C1X | H1XA | H1XB | 120.0° | 120.0° |
| C1I | C1H | C5 | C4 | 1.1° | 54.4° |
| C1I | C1H | C5 | C6 | 179.4° | 125.8° |
| C1H | C5 | C4 | C6 | 179.5° | 179.8° |
| C1H | C5 | C4 | C1Y | 0.1° | 0.1° |
| C1H | C5 | C4 | N3 | 179.4° | 180.0° |
| C1H | C5 | C6 | N1 | 179.9° | 179.8° |
| C1H | C5 | C6 | N1G | 0.3° | 0.1° |
| C5 | C4 | C1Y | N3 | 179.6° | 179.9° |
| C5 | C4 | C1Y | H1Y | 90.5° | 89.9° |
| C5 | C4 | C1Y | H1YA | 29.5° | 150.0° |
| C5 | C4 | C1Y | H1YB | 149.5° | 30.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.1° |
| C4 | C5 | C6 | N1 | 0.5° | 0.5° |
| C4 | C5 | C6 | N1G | 179.8° | 179.7° |
| C6 | C5 | C4 | C1Y | 179.6° | 179.7° |
| C6 | C5 | C4 | N3 | 0.0° | 0.2° |
| C5 | C6 | N1 | C2 | 0.4° | 0.4° |
| C5 | C6 | N1 | N1G | 179.8° | 179.8° |
| C5 | C6 | N1G | HN1G | 142.9° | 0.0° |
| C5 | C6 | N1G | HN1B | 97.1° | 180.0° |
| C4 | C1Y | H1Y | H1YA | 120.0° | 120.0° |
| C4 | C1Y | H1Y | H1YB | 120.0° | 119.9° |
| C4 | C1Y | H1YA | H1YB | 120.0° | 119.9° |
| C1Y | C4 | N3 | C2 | 179.8° | 180.0° |
| N3 | C4 | C1Y | H1Y | 90.0° | 90.0° |
| N3 | C4 | C1Y | H1YA | 150.0° | 30.1° |
| N3 | C4 | C1Y | H1YB | 30.1° | 150.1° |
| C4 | N3 | C2 | N1Z | 179.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.8° | 0.1° |
| H1Y | C1Y | H1YA | H1YB | 120.0° | 120.0° |
| N3 | C2 | N1Z | N1 | 179.3° | 179.9° |
| N3 | C2 | N1Z | HN1Z | 44.3° | 0.1° |
| N3 | C2 | N1Z | HN1A | 164.3° | 180.0° |
| N3 | C2 | N1 | C6 | 0.3° | 0.2° |
| C2 | N1Z | HN1Z | HN1A | 120.0° | 180.0° |
| N1Z | C2 | N1 | C6 | 179.6° | 179.7° |
| N1 | C2 | N1Z | HN1Z | 135.0° | 179.9° |
| N1 | C2 | N1Z | HN1A | 15.0° | 0.1° |
| C2 | N1 | C6 | N1G | 179.8° | 179.7° |
| N1 | C6 | N1G | HN1G | 36.9° | 179.8° |
| N1 | C6 | N1G | HN1B | 83.1° | 0.2° |
| C6 | N1G | HN1G | HN1B | 120.0° | 180.0° |
