11F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1V | C1K | doub | 1.39Å | 1.39Å | Aromatic |
| C1K | C1I | sing | 1.38Å | 1.40Å | Aromatic |
| C1K | H1K | sing | 1.08Å | 1.08Å | |
| C1I | C1H | doub | 1.38Å | 1.40Å | Aromatic |
| C1I | H1I | sing | 1.08Å | 1.08Å | |
| C1J | C1H | sing | 1.38Å | 1.39Å | Aromatic |
| C1H | H1H | sing | 1.08Å | 1.08Å | |
| C1L | C1J | doub | 1.38Å | 1.40Å | Aromatic |
| C1J | H1J | sing | 1.08Å | 1.08Å | |
| C1V | C1L | sing | 1.39Å | 1.40Å | Aromatic |
| C1L | H1L | sing | 1.08Å | 1.08Å | |
| C1Z | C1V | sing | 1.48Å | 1.40Å | Aromatic |
| C1Y | C1Z | doub | 1.40Å | 1.40Å | Aromatic |
| C1N | C1Z | sing | 1.39Å | 1.40Å | Aromatic |
| C1O | C1Y | sing | 1.39Å | 1.40Å | Aromatic |
| C1Y | O1R | sing | 1.36Å | 1.37Å | |
| C1W | C1O | doub | 1.38Å | 1.39Å | Aromatic |
| C1O | H1O | sing | 1.08Å | 1.08Å | |
| C1A | O1R | sing | 1.43Å | 1.45Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C1A | H1AA | sing | 1.09Å | 1.10Å | |
| C1A | H1AB | sing | 1.09Å | 1.10Å | |
| C1M | C1N | doub | 1.38Å | 1.39Å | Aromatic |
| C1N | H1N | sing | 1.08Å | 1.08Å | |
| C1W | C1M | sing | 1.38Å | 1.39Å | Aromatic |
| C1M | H1M | sing | 1.08Å | 1.08Å | |
| C2A | C1W | sing | 1.51Å | 1.54Å | |
| C1G | C2A | sing | 1.47Å | 1.46Å | |
| C2A | C1C | sing | 1.53Å | 1.52Å | |
| C2A | H2A | sing | 1.09Å | 1.10Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| C1C | H1CA | sing | 1.09Å | 1.10Å | |
| C1C | H1CB | sing | 1.09Å | 1.10Å | |
| C1F | C1G | trip | 1.17Å | 1.21Å | |
| C5 | C1F | sing | 1.43Å | 1.43Å | |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | C1B | sing | 1.51Å | 1.53Å | |
| C1B | H1B | sing | 1.09Å | 1.10Å | |
| C1B | H1BA | sing | 1.09Å | 1.10Å | |
| C1B | H1BB | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1D | C2 | sing | 1.38Å | 1.33Å | |
| N1D | HN1D | sing | 0.97Å | 1.00Å | |
| N1D | HN1A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| N1E | C4 | sing | 1.38Å | 1.33Å | |
| N1E | HN1E | sing | 0.97Å | 1.00Å | |
| N1E | HN1B | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1V | C1K | C1I | 120.1° | 119.9° |
| C1V | C1K | H1K | 119.9° | 120.0° |
| C1K | C1V | C1L | 119.6° | 119.8° |
| C1K | C1V | C1Z | 121.5° | 120.2° |
| C1I | C1K | H1K | 120.0° | 120.1° |
| C1K | C1I | C1H | 120.1° | 120.1° |
| C1K | C1I | H1I | 119.9° | 119.9° |
| C1H | C1I | H1I | 120.0° | 120.0° |
| C1I | C1H | C1J | 120.1° | 120.3° |
| C1I | C1H | H1H | 119.9° | 119.9° |
| C1J | C1H | H1H | 120.0° | 119.8° |
| C1H | C1J | C1L | 119.7° | 120.1° |
| C1H | C1J | H1J | 120.1° | 120.0° |
| C1L | C1J | H1J | 120.2° | 119.9° |
| C1J | C1L | C1V | 120.5° | 119.8° |
| C1J | C1L | H1L | 119.8° | 120.0° |
| C1V | C1L | H1L | 119.8° | 120.1° |
| C1L | C1V | C1Z | 118.9° | 120.1° |
| C1V | C1Z | C1Y | 121.5° | 120.2° |
| C1V | C1Z | C1N | 118.8° | 120.1° |
| C1Y | C1Z | C1N | 119.7° | 119.7° |
| C1Z | C1Y | C1O | 119.6° | 119.8° |
| C1Z | C1Y | O1R | 120.0° | 120.1° |
| C1Z | C1N | C1M | 120.0° | 119.9° |
| C1Z | C1N | H1N | 120.0° | 120.0° |
| C1O | C1Y | O1R | 120.4° | 120.1° |
| C1Y | C1O | C1W | 120.7° | 120.1° |
| C1Y | C1O | H1O | 119.6° | 120.0° |
| C1Y | O1R | C1A | 115.1° | 117.0° |
| C1W | C1O | H1O | 119.7° | 119.9° |
| C1O | C1W | C1M | 119.1° | 120.3° |
| C1O | C1W | C2A | 120.2° | 119.9° |
| O1R | C1A | H1A | 109.5° | 109.5° |
| O1R | C1A | H1AA | 109.4° | 109.4° |
| O1R | C1A | H1AB | 109.5° | 109.5° |
| H1A | C1A | H1AA | 109.5° | 109.5° |
| H1A | C1A | H1AB | 109.5° | 109.5° |
| H1AA | C1A | H1AB | 109.5° | 109.4° |
| C1M | C1N | H1N | 120.0° | 120.1° |
| C1N | C1M | C1W | 121.0° | 120.3° |
| C1N | C1M | H1M | 119.5° | 119.8° |
| C1W | C1M | H1M | 119.6° | 119.9° |
| C1M | C1W | C2A | 120.6° | 119.8° |
| C1W | C2A | C1G | 113.9° | 109.5° |
| C1W | C2A | C1C | 110.9° | 109.4° |
| C1W | C2A | H2A | 104.7° | 109.5° |
| C1G | C2A | C1C | 107.1° | 109.5° |
| C1G | C2A | H2A | 108.6° | 109.5° |
| C2A | C1G | C1F | 177.2° | 179.9° |
| C1C | C2A | H2A | 111.7° | 109.4° |
| C2A | C1C | H1C | 109.5° | 109.4° |
| C2A | C1C | H1CA | 109.5° | 109.5° |
| C2A | C1C | H1CB | 109.5° | 109.5° |
| H1C | C1C | H1CA | 109.4° | 109.5° |
| H1C | C1C | H1CB | 109.5° | 109.5° |
| H1CA | C1C | H1CB | 109.5° | 109.5° |
| C1G | C1F | C5 | 179.2° | 180.0° |
| C1F | C5 | C4 | 120.9° | 120.9° |
| C1F | C5 | C6 | 120.5° | 120.9° |
| C4 | C5 | C6 | 118.6° | 118.2° |
| C5 | C4 | N3 | 119.3° | 118.8° |
| C5 | C4 | N1E | 121.2° | 120.6° |
| C5 | C6 | N1 | 119.4° | 119.1° |
| C5 | C6 | C1B | 121.0° | 120.4° |
| N1 | C6 | C1B | 119.7° | 120.5° |
| C6 | N1 | C2 | 121.1° | 121.1° |
| C6 | C1B | H1B | 109.5° | 109.5° |
| C6 | C1B | H1BA | 109.5° | 109.5° |
| C6 | C1B | H1BB | 109.5° | 109.5° |
| H1B | C1B | H1BA | 109.5° | 109.5° |
| H1B | C1B | H1BB | 109.4° | 109.5° |
| H1BA | C1B | H1BB | 109.5° | 109.4° |
| N1 | C2 | N3 | 120.6° | 122.0° |
| N1 | C2 | N1D | 119.7° | 119.0° |
| N3 | C2 | N1D | 119.8° | 119.0° |
| C2 | N3 | C4 | 121.0° | 120.8° |
| C2 | N1D | HN1D | 109.5° | 120.0° |
| C2 | N1D | HN1A | 109.4° | 120.0° |
| HN1D | N1D | HN1A | 109.5° | 120.0° |
| N3 | C4 | N1E | 119.5° | 120.5° |
| C4 | N1E | HN1E | 109.5° | 120.1° |
| C4 | N1E | HN1B | 109.5° | 120.0° |
| HN1E | N1E | HN1B | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1V | C1K | C1I | H1K | 180.0° | 179.7° |
| C1V | C1K | C1I | C1H | 0.2° | 0.3° |
| C1V | C1K | C1I | H1I | 179.8° | 179.7° |
| C1K | C1V | C1L | C1J | 0.2° | 0.6° |
| C1K | C1V | C1L | C1Z | 179.7° | 179.4° |
| C1K | C1V | C1L | H1L | 179.8° | 179.7° |
| C1K | C1V | C1Z | C1Y | 63.9° | 129.9° |
| C1K | C1V | C1Z | C1N | 117.2° | 50.3° |
| C1K | C1I | C1H | H1I | 180.0° | 180.0° |
| C1K | C1I | C1H | C1J | 0.3° | 0.0° |
| C1K | C1I | C1H | H1H | 179.7° | 180.0° |
| C1I | C1K | C1V | C1L | 0.1° | 0.6° |
| C1I | C1K | C1V | C1Z | 179.8° | 180.0° |
| H1K | C1K | C1I | C1H | 179.8° | 180.0° |
| H1K | C1K | C1I | H1I | 0.2° | 0.1° |
| H1K | C1K | C1V | C1L | 179.9° | 179.7° |
| H1K | C1K | C1V | C1Z | 0.2° | 0.3° |
| C1I | C1H | C1J | H1H | 180.0° | 180.0° |
| C1I | C1H | C1J | C1L | 0.4° | 0.0° |
| C1I | C1H | C1J | H1J | 179.6° | 180.0° |
| H1I | C1I | C1H | C1J | 179.6° | 180.0° |
| H1I | C1I | C1H | H1H | 0.4° | 0.1° |
| C1H | C1J | C1L | H1J | 180.0° | 179.9° |
| C1H | C1J | C1L | C1V | 0.3° | 0.3° |
| C1H | C1J | C1L | H1L | 179.7° | 180.0° |
| H1H | C1H | C1J | C1L | 179.6° | 180.0° |
| H1H | C1H | C1J | H1J | 0.4° | 0.1° |
| C1J | C1L | C1V | H1L | 180.0° | 179.7° |
| C1J | C1L | C1V | C1Z | 179.8° | 180.0° |
| H1J | C1J | C1L | C1V | 179.7° | 179.7° |
| H1J | C1J | C1L | H1L | 0.3° | 0.0° |
| C1L | C1V | C1Z | C1Y | 115.8° | 49.5° |
| C1L | C1V | C1Z | C1N | 63.2° | 130.3° |
| H1L | C1L | C1V | C1Z | 0.1° | 0.3° |
| C1V | C1Z | C1Y | C1N | 178.9° | 179.8° |
| C1V | C1Z | C1Y | C1O | 179.7° | 180.0° |
| C1V | C1Z | C1Y | O1R | 1.5° | 0.0° |
| C1V | C1Z | C1N | C1M | 179.4° | 180.0° |
| C1V | C1Z | C1N | H1N | 0.7° | 0.0° |
| C1Z | C1Y | C1O | O1R | 178.8° | 179.9° |
| C1Z | C1Y | C1O | C1W | 0.3° | 0.1° |
| C1Z | C1Y | C1O | H1O | 179.7° | 180.0° |
| C1Z | C1Y | O1R | C1A | 162.1° | 180.0° |
| C1Y | C1Z | C1N | C1M | 0.4° | 0.2° |
| C1Y | C1Z | C1N | H1N | 179.6° | 179.8° |
| C1N | C1Z | C1Y | C1O | 0.8° | 0.2° |
| C1N | C1Z | C1Y | O1R | 179.6° | 179.7° |
| C1Z | C1N | C1M | H1N | 180.0° | 180.0° |
| C1Z | C1N | C1M | C1W | 0.5° | 0.0° |
| C1Z | C1N | C1M | H1M | 179.5° | 180.0° |
| C1Y | C1O | C1W | H1O | 180.0° | 179.9° |
| C1O | C1Y | O1R | C1A | 19.1° | 0.0° |
| C1Y | C1O | C1W | C1M | 0.6° | 0.3° |
| C1Y | C1O | C1W | C2A | 178.8° | 180.0° |
| O1R | C1Y | C1O | C1W | 179.1° | 180.0° |
| O1R | C1Y | C1O | H1O | 0.9° | 0.0° |
| C1Y | O1R | C1A | H1A | 135.7° | 60.0° |
| C1Y | O1R | C1A | H1AA | 15.7° | 60.0° |
| C1Y | O1R | C1A | H1AB | 104.3° | 179.9° |
| C1O | C1W | C1M | C1N | 1.0° | 0.3° |
| C1O | C1W | C1M | C2A | 178.1° | 179.7° |
| C1O | C1W | C1M | H1M | 179.0° | 179.7° |
| C1O | C1W | C2A | C1G | 50.0° | 120.0° |
| C1O | C1W | C2A | C1C | 170.8° | 120.0° |
| C1O | C1W | C2A | H2A | 68.5° | 0.1° |
| H1O | C1O | C1W | C1M | 179.4° | 179.7° |
| H1O | C1O | C1W | C2A | 1.2° | 0.0° |
| O1R | C1A | H1A | H1AA | 120.0° | 120.0° |
| O1R | C1A | H1A | H1AB | 120.0° | 120.0° |
| O1R | C1A | H1AA | H1AB | 120.0° | 120.0° |
| H1A | C1A | H1AA | H1AB | 120.0° | 120.0° |
| C1N | C1M | C1W | H1M | 180.0° | 180.0° |
| C1N | C1M | C1W | C2A | 179.2° | 180.0° |
| H1N | C1N | C1M | C1W | 179.5° | 180.0° |
| H1N | C1N | C1M | H1M | 0.6° | 0.0° |
| C1M | C1W | C2A | C1G | 131.9° | 59.7° |
| C1M | C1W | C2A | C1C | 11.0° | 60.3° |
| C1M | C1W | C2A | H2A | 109.6° | 179.8° |
| H1M | C1M | C1W | C2A | 0.8° | 0.0° |
| C1W | C2A | C1G | C1C | 122.9° | 120.0° |
| C1W | C2A | C1G | H2A | 116.2° | 120.0° |
| C1W | C2A | C1C | H2A | 116.3° | 120.0° |
| C1W | C2A | C1C | H1C | 165.3° | 180.0° |
| C1W | C2A | C1C | H1CA | 74.7° | 60.0° |
| C1W | C2A | C1C | H1CB | 45.3° | 60.0° |
| C1W | C2A | C1G | C1F | 165.4° | 161.1° |
| C1G | C2A | C1C | H2A | 118.9° | 120.0° |
| C1G | C2A | C1C | H1C | 69.9° | 60.0° |
| C1G | C2A | C1C | H1CA | 50.1° | 60.0° |
| C1G | C2A | C1C | H1CB | 170.1° | 180.0° |
| C2A | C1G | C1F | C5 | 0.3° | 148.3° |
| C2A | C1C | H1C | H1CA | 120.0° | 120.0° |
| C2A | C1C | H1C | H1CB | 120.0° | 120.0° |
| C2A | C1C | H1CA | H1CB | 120.0° | 120.0° |
| C1C | C2A | C1G | C1F | 42.5° | 41.2° |
| H2A | C2A | C1C | H1C | 48.9° | 60.0° |
| H2A | C2A | C1C | H1CA | 168.9° | 180.0° |
| H2A | C2A | C1C | H1CB | 71.1° | 60.0° |
| H2A | C2A | C1G | C1F | 78.4° | 78.8° |
| H1C | C1C | H1CA | H1CB | 120.0° | 120.0° |
| C1G | C1F | C5 | C4 | 0.2° | 50.3° |
| C1G | C1F | C5 | C6 | 179.4° | 129.5° |
| C1F | C5 | C4 | C6 | 179.6° | 179.7° |
| C1F | C5 | C6 | N1 | 179.9° | 180.0° |
| C1F | C5 | C6 | C1B | 0.3° | 0.1° |
| C1F | C5 | C4 | N3 | 179.7° | 179.7° |
| C1F | C5 | C4 | N1E | 0.4° | 0.3° |
| C4 | C5 | C6 | N1 | 0.5° | 0.3° |
| C4 | C5 | C6 | C1B | 179.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.3° | 0.6° |
| C5 | C4 | N3 | N1E | 179.9° | 179.4° |
| C5 | C4 | N1E | HN1E | 139.3° | 179.4° |
| C5 | C4 | N1E | HN1B | 100.7° | 0.6° |
| C5 | C6 | N1 | C1B | 179.6° | 179.9° |
| C5 | C6 | C1B | H1B | 91.4° | 90.0° |
| C5 | C6 | C1B | H1BA | 148.6° | 150.0° |
| C5 | C6 | C1B | H1BB | 28.6° | 30.0° |
| C5 | C6 | N1 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C6 | C5 | C4 | N1E | 180.0° | 180.0° |
| N1 | C6 | C1B | H1B | 88.2° | 89.9° |
| N1 | C6 | C1B | H1BA | 31.8° | 30.0° |
| N1 | C6 | C1B | H1BB | 151.8° | 150.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | N1D | 179.5° | 180.0° |
| C6 | C1B | H1B | H1BA | 120.0° | 120.0° |
| C6 | C1B | H1B | H1BB | 120.0° | 120.1° |
| C6 | C1B | H1BA | H1BB | 120.0° | 120.0° |
| C1B | C6 | N1 | C2 | 179.9° | 179.9° |
| H1B | C1B | H1BA | H1BB | 120.0° | 120.0° |
| N1 | C2 | N3 | N1D | 179.5° | 180.0° |
| N1 | C2 | N1D | HN1D | 40.7° | 0.0° |
| N1 | C2 | N1D | HN1A | 160.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.3° |
| N3 | C2 | N1D | HN1D | 139.7° | 180.0° |
| N3 | C2 | N1D | HN1A | 19.7° | 0.0° |
| C2 | N3 | C4 | N1E | 179.5° | 180.0° |
| C2 | N1D | HN1D | HN1A | 120.0° | 180.0° |
| N1D | C2 | N3 | C4 | 179.9° | 179.7° |
| N3 | C4 | N1E | HN1E | 40.9° | 0.1° |
| N3 | C4 | N1E | HN1B | 79.1° | 180.0° |
| C4 | N1E | HN1E | HN1B | 120.0° | 179.9° |
