W11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N2 | sing | 1.21Å | 1.53Å | Aromatic |
| O1 | C5 | sing | 1.34Å | 1.41Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.34Å | Aromatic |
| C3 | CM3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.41Å | 1.44Å | Aromatic |
| CM3 | HM31 | sing | 1.09Å | 1.12Å | |
| CM3 | HM32 | sing | 1.09Å | 1.12Å | |
| CM3 | HM33 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C1C | sing | 1.51Å | 1.49Å | |
| C1C | C2C | sing | 1.53Å | 1.52Å | |
| C1C | H1C1 | sing | 1.09Å | 1.12Å | |
| C1C | H1C2 | sing | 1.09Å | 1.12Å | |
| C2C | C3C | sing | 1.53Å | 1.51Å | |
| C2C | H2C1 | sing | 1.09Å | 1.11Å | |
| C2C | H2C2 | sing | 1.09Å | 1.11Å | |
| C3C | O1B | sing | 1.43Å | 1.37Å | |
| C3C | H3C1 | sing | 1.09Å | 1.12Å | |
| C3C | H3C2 | sing | 1.09Å | 1.11Å | |
| O1B | C1B | sing | 1.36Å | 1.42Å | |
| C1B | C2B | doub | 1.39Å | 1.42Å | Aromatic |
| C1B | C6B | sing | 1.39Å | 1.48Å | Aromatic |
| C2B | CM2 | sing | 1.51Å | 1.46Å | |
| C2B | C3B | sing | 1.38Å | 1.37Å | Aromatic |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.12Å | |
| CM2 | HM23 | sing | 1.09Å | 1.11Å | |
| C3B | C4B | doub | 1.39Å | 1.40Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.10Å | |
| C4B | C5B | sing | 1.39Å | 1.43Å | Aromatic |
| C4B | C2A | sing | 1.48Å | 1.42Å | Aromatic |
| C5B | C6B | doub | 1.38Å | 1.43Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.10Å | |
| C6B | CM6 | sing | 1.51Å | 1.57Å | |
| CM6 | HM61 | sing | 1.09Å | 1.11Å | |
| CM6 | HM62 | sing | 1.09Å | 1.11Å | |
| CM6 | HM63 | sing | 1.09Å | 1.12Å | |
| C2A | N1A | doub | 1.31Å | 1.39Å | Aromatic |
| C2A | N3A | sing | 1.35Å | 1.44Å | Aromatic |
| N1A | O1A | sing | 1.21Å | 1.58Å | Aromatic |
| N3A | C3A | doub | 1.31Å | 1.43Å | Aromatic |
| C3A | CM4 | sing | 1.51Å | 1.54Å | |
| C3A | O1A | sing | 1.34Å | 1.42Å | Aromatic |
| CM4 | F1 | sing | 1.40Å | 1.41Å | |
| CM4 | F2 | sing | 1.40Å | 1.35Å | |
| CM4 | F3 | sing | 1.40Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | O1 | C5 | 104.6° | 111.5° |
| O1 | N2 | C3 | 107.6° | 111.6° |
| O1 | C5 | C4 | 109.8° | 106.4° |
| O1 | C5 | C1C | 113.1° | 126.7° |
| N2 | C3 | CM3 | 117.8° | 126.8° |
| N2 | C3 | C4 | 109.7° | 106.3° |
| CM3 | C3 | C4 | 132.5° | 126.9° |
| C3 | CM3 | HM31 | 117.8° | 109.4° |
| C3 | CM3 | HM32 | 109.2° | 109.5° |
| C3 | CM3 | HM33 | 109.2° | 109.4° |
| C3 | C4 | C5 | 108.4° | 104.1° |
| C3 | C4 | H41 | 127.3° | 128.0° |
| HM31 | CM3 | HM32 | 109.2° | 109.5° |
| HM31 | CM3 | HM33 | 109.2° | 109.5° |
| HM32 | CM3 | HM33 | 100.9° | 109.5° |
| C5 | C4 | H41 | 124.4° | 127.9° |
| C4 | C5 | C1C | 137.0° | 126.8° |
| C5 | C1C | C2C | 103.8° | 109.5° |
| C5 | C1C | H1C1 | 114.3° | 109.5° |
| C5 | C1C | H1C2 | 114.4° | 109.5° |
| C2C | C1C | H1C1 | 114.4° | 109.5° |
| C2C | C1C | H1C2 | 114.4° | 109.5° |
| C1C | C2C | C3C | 110.5° | 109.5° |
| C1C | C2C | H2C1 | 111.8° | 109.5° |
| C1C | C2C | H2C2 | 111.8° | 109.5° |
| H1C1 | C1C | H1C2 | 96.1° | 109.4° |
| C3C | C2C | H2C1 | 111.8° | 109.6° |
| C3C | C2C | H2C2 | 111.8° | 109.4° |
| C2C | C3C | O1B | 95.5° | 109.5° |
| C2C | C3C | H3C1 | 117.7° | 109.6° |
| C2C | C3C | H3C2 | 117.7° | 109.4° |
| H2C1 | C2C | H2C2 | 98.7° | 109.5° |
| O1B | C3C | H3C1 | 117.7° | 109.4° |
| O1B | C3C | H3C2 | 117.7° | 109.4° |
| C3C | O1B | C1B | 121.8° | 106.8° |
| H3C1 | C3C | H3C2 | 92.6° | 109.5° |
| O1B | C1B | C2B | 114.9° | 120.0° |
| O1B | C1B | C6B | 127.6° | 119.9° |
| C2B | C1B | C6B | 117.5° | 120.1° |
| C1B | C2B | CM2 | 117.1° | 119.9° |
| C1B | C2B | C3B | 125.5° | 120.1° |
| C1B | C6B | C5B | 119.2° | 120.1° |
| C1B | C6B | CM6 | 127.3° | 120.0° |
| CM2 | C2B | C3B | 117.4° | 120.0° |
| C2B | CM2 | HM21 | 117.1° | 109.5° |
| C2B | CM2 | HM22 | 109.4° | 109.5° |
| C2B | CM2 | HM23 | 109.5° | 109.5° |
| C2B | C3B | C4B | 114.9° | 119.9° |
| C2B | C3B | H3B | 121.6° | 120.0° |
| HM21 | CM2 | HM22 | 109.5° | 109.4° |
| HM21 | CM2 | HM23 | 109.5° | 109.4° |
| HM22 | CM2 | HM23 | 100.6° | 109.5° |
| C4B | C3B | H3B | 123.5° | 120.0° |
| C3B | C4B | C5B | 126.2° | 119.9° |
| C3B | C4B | C2A | 115.0° | 120.1° |
| C5B | C4B | C2A | 118.4° | 120.0° |
| C4B | C5B | C6B | 116.7° | 119.9° |
| C4B | C5B | H5B | 121.8° | 120.1° |
| C4B | C2A | N1A | 119.9° | 126.4° |
| C4B | C2A | N3A | 122.1° | 126.5° |
| C6B | C5B | H5B | 121.5° | 120.0° |
| C5B | C6B | CM6 | 113.4° | 119.9° |
| C6B | CM6 | HM61 | 127.3° | 109.5° |
| C6B | CM6 | HM62 | 106.0° | 109.4° |
| C6B | CM6 | HM63 | 105.9° | 109.5° |
| HM61 | CM6 | HM62 | 106.0° | 109.5° |
| HM61 | CM6 | HM63 | 106.0° | 109.5° |
| HM62 | CM6 | HM63 | 103.4° | 109.5° |
| N1A | C2A | N3A | 117.8° | 107.1° |
| C2A | N1A | O1A | 103.8° | 110.1° |
| C2A | N3A | C3A | 98.8° | 105.7° |
| N1A | O1A | C3A | 100.9° | 110.0° |
| N3A | C3A | CM4 | 126.1° | 126.5° |
| N3A | C3A | O1A | 118.7° | 107.1° |
| CM4 | C3A | O1A | 115.0° | 126.4° |
| C3A | CM4 | F1 | 107.0° | 109.5° |
| C3A | CM4 | F2 | 106.6° | 109.5° |
| C3A | CM4 | F3 | 112.9° | 109.4° |
| F1 | CM4 | F2 | 112.3° | 109.5° |
| F1 | CM4 | F3 | 110.2° | 109.5° |
| F2 | CM4 | F3 | 107.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N2 | C3 | CM3 | 178.8° | 179.8° |
| O1 | N2 | C3 | C4 | 0.2° | 0.5° |
| N2 | O1 | C5 | C4 | 0.3° | 0.3° |
| N2 | O1 | C5 | C1C | 175.8° | 179.7° |
| C5 | O1 | N2 | C3 | 0.3° | 0.5° |
| O1 | C5 | C4 | C3 | 0.2° | 0.0° |
| O1 | C5 | C4 | C1C | 174.6° | 179.9° |
| O1 | C5 | C4 | H41 | 179.9° | 180.0° |
| O1 | C5 | C1C | C2C | 50.9° | 90.1° |
| O1 | C5 | C1C | H1C1 | 74.4° | 30.0° |
| O1 | C5 | C1C | H1C2 | 176.2° | 149.9° |
| N2 | C3 | CM3 | C4 | 178.7° | 179.6° |
| N2 | C3 | CM3 | HM31 | 180.0° | 90.3° |
| N2 | C3 | CM3 | HM32 | 54.8° | 29.6° |
| N2 | C3 | CM3 | HM33 | 54.7° | 149.7° |
| N2 | C3 | C4 | C5 | 0.0° | 0.3° |
| N2 | C3 | C4 | H41 | 179.9° | 179.7° |
| C3 | CM3 | HM31 | HM32 | 125.2° | 120.0° |
| C3 | CM3 | HM31 | HM33 | 125.3° | 119.9° |
| C3 | CM3 | HM32 | HM33 | 115.0° | 120.0° |
| CM3 | C3 | C4 | C5 | 178.7° | 179.9° |
| CM3 | C3 | C4 | H41 | 1.3° | 0.1° |
| C4 | C3 | CM3 | HM31 | 1.3° | 90.0° |
| C4 | C3 | CM3 | HM32 | 126.6° | 150.0° |
| C4 | C3 | CM3 | HM33 | 124.0° | 29.9° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | C1C | 174.5° | 180.0° |
| HM31 | CM3 | HM32 | HM33 | 115.0° | 120.0° |
| C4 | C5 | C1C | C2C | 134.6° | 90.0° |
| C4 | C5 | C1C | H1C1 | 100.1° | 150.0° |
| C4 | C5 | C1C | H1C2 | 9.3° | 30.0° |
| H41 | C4 | C5 | C1C | 5.5° | 0.0° |
| C5 | C1C | C2C | H1C1 | 125.3° | 120.0° |
| C5 | C1C | C2C | H1C2 | 125.3° | 120.0° |
| C5 | C1C | H1C1 | H1C2 | 120.2° | 120.0° |
| C5 | C1C | C2C | C3C | 173.0° | 180.0° |
| C5 | C1C | C2C | H2C1 | 61.8° | 59.9° |
| C5 | C1C | C2C | H2C2 | 47.8° | 60.1° |
| C2C | C1C | H1C1 | H1C2 | 120.3° | 120.0° |
| C1C | C2C | C3C | H2C1 | 125.3° | 120.1° |
| C1C | C2C | C3C | H2C2 | 125.2° | 119.9° |
| C1C | C2C | H2C1 | H2C2 | 117.7° | 120.0° |
| C1C | C2C | C3C | O1B | 129.1° | 180.0° |
| C1C | C2C | C3C | H3C1 | 3.8° | 60.0° |
| C1C | C2C | C3C | H3C2 | 105.7° | 60.1° |
| H1C1 | C1C | C2C | C3C | 47.7° | 59.9° |
| H1C1 | C1C | C2C | H2C1 | 173.0° | 180.0° |
| H1C1 | C1C | C2C | H2C2 | 77.5° | 60.0° |
| H1C2 | C1C | C2C | C3C | 61.8° | 60.0° |
| H1C2 | C1C | C2C | H2C1 | 63.5° | 60.1° |
| H1C2 | C1C | C2C | H2C2 | 173.0° | 179.9° |
| C3C | C2C | H2C1 | H2C2 | 117.7° | 120.0° |
| C2C | C3C | O1B | H3C1 | 125.3° | 120.1° |
| C2C | C3C | O1B | H3C2 | 125.3° | 119.9° |
| C2C | C3C | H3C1 | H3C2 | 123.3° | 120.1° |
| C2C | C3C | O1B | C1B | 170.6° | 179.9° |
| H2C1 | C2C | C3C | O1B | 105.7° | 60.0° |
| H2C1 | C2C | C3C | H3C1 | 129.0° | 179.9° |
| H2C1 | C2C | C3C | H3C2 | 19.6° | 60.0° |
| H2C2 | C2C | C3C | O1B | 3.8° | 60.0° |
| H2C2 | C2C | C3C | H3C1 | 121.4° | 60.0° |
| H2C2 | C2C | C3C | H3C2 | 129.1° | 180.0° |
| O1B | C3C | H3C1 | H3C2 | 123.3° | 119.9° |
| C3C | O1B | C1B | C2B | 101.6° | 89.9° |
| C3C | O1B | C1B | C6B | 78.4° | 90.2° |
| H3C1 | C3C | O1B | C1B | 45.3° | 60.0° |
| H3C2 | C3C | O1B | C1B | 64.1° | 60.0° |
| O1B | C1B | C2B | C6B | 180.0° | 179.8° |
| O1B | C1B | C2B | CM2 | 1.6° | 0.1° |
| O1B | C1B | C2B | C3B | 179.1° | 180.0° |
| O1B | C1B | C6B | C5B | 178.2° | 179.7° |
| O1B | C1B | C6B | CM6 | 5.4° | 0.2° |
| C1B | C2B | CM2 | C3B | 177.7° | 179.9° |
| C1B | C2B | CM2 | HM21 | 180.0° | 89.9° |
| C1B | C2B | CM2 | HM22 | 54.7° | 150.1° |
| C1B | C2B | CM2 | HM23 | 54.7° | 30.0° |
| C1B | C2B | C3B | C4B | 0.5° | 0.0° |
| C1B | C2B | C3B | H3B | 179.5° | 179.9° |
| C2B | C1B | C6B | C5B | 1.8° | 0.4° |
| C2B | C1B | C6B | CM6 | 174.6° | 180.0° |
| C6B | C1B | C2B | CM2 | 178.3° | 179.8° |
| C6B | C1B | C2B | C3B | 0.9° | 0.2° |
| C1B | C6B | C5B | C4B | 1.2° | 0.4° |
| C1B | C6B | C5B | CM6 | 176.9° | 179.6° |
| C1B | C6B | C5B | H5B | 178.7° | 179.8° |
| C1B | C6B | CM6 | HM61 | 180.0° | 90.5° |
| C1B | C6B | CM6 | HM62 | 54.7° | 29.5° |
| C1B | C6B | CM6 | HM63 | 54.7° | 149.5° |
| C2B | CM2 | HM21 | HM22 | 125.3° | 120.0° |
| C2B | CM2 | HM21 | HM23 | 125.3° | 120.0° |
| C2B | CM2 | HM22 | HM23 | 115.2° | 120.1° |
| CM2 | C2B | C3B | C4B | 177.0° | 180.0° |
| CM2 | C2B | C3B | H3B | 3.0° | 0.0° |
| C3B | C2B | CM2 | HM21 | 2.3° | 90.0° |
| C3B | C2B | CM2 | HM22 | 123.0° | 30.0° |
| C3B | C2B | CM2 | HM23 | 127.6° | 150.0° |
| C2B | C3B | C4B | H3B | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 1.1° | 0.0° |
| C2B | C3B | C4B | C2A | 171.4° | 180.0° |
| HM21 | CM2 | HM22 | HM23 | 115.3° | 119.9° |
| C3B | C4B | C5B | C2A | 172.3° | 180.0° |
| C3B | C4B | C5B | C6B | 0.2° | 0.2° |
| C3B | C4B | C5B | H5B | 179.8° | 180.0° |
| C3B | C4B | C2A | N1A | 11.7° | 0.1° |
| C3B | C4B | C2A | N3A | 163.9° | 179.7° |
| H3B | C3B | C4B | C5B | 178.9° | 179.9° |
| H3B | C3B | C4B | C2A | 8.6° | 0.1° |
| C4B | C5B | C6B | H5B | 180.0° | 179.8° |
| C4B | C5B | C6B | CM6 | 175.7° | 180.0° |
| C5B | C4B | C2A | N1A | 175.1° | 179.9° |
| C5B | C4B | C2A | N3A | 9.3° | 0.3° |
| C2A | C4B | C5B | C6B | 172.1° | 179.8° |
| C2A | C4B | C5B | H5B | 7.9° | 0.0° |
| C4B | C2A | N1A | N3A | 175.8° | 179.7° |
| C4B | C2A | N1A | O1A | 175.6° | 180.0° |
| C4B | C2A | N3A | C3A | 175.2° | 179.9° |
| C5B | C6B | CM6 | HM61 | 3.4° | 90.0° |
| C5B | C6B | CM6 | HM62 | 121.9° | 150.0° |
| C5B | C6B | CM6 | HM63 | 128.7° | 30.0° |
| H5B | C5B | C6B | CM6 | 4.4° | 0.2° |
| C6B | CM6 | HM61 | HM62 | 125.3° | 119.9° |
| C6B | CM6 | HM61 | HM63 | 125.3° | 120.0° |
| C6B | CM6 | HM62 | HM63 | 111.2° | 120.0° |
| HM61 | CM6 | HM62 | HM63 | 111.2° | 120.0° |
| N1A | C2A | N3A | C3A | 0.5° | 0.5° |
| C2A | N1A | O1A | C3A | 0.2° | 0.1° |
| N3A | C2A | N1A | O1A | 0.2° | 0.3° |
| C2A | N3A | C3A | CM4 | 173.5° | 179.8° |
| C2A | N3A | C3A | O1A | 0.7° | 0.4° |
| N1A | O1A | C3A | N3A | 0.6° | 0.2° |
| N1A | O1A | C3A | CM4 | 174.2° | 180.0° |
| N3A | C3A | CM4 | O1A | 174.4° | 179.7° |
| N3A | C3A | CM4 | F1 | 8.1° | 179.7° |
| N3A | C3A | CM4 | F2 | 112.3° | 59.7° |
| N3A | C3A | CM4 | F3 | 129.5° | 60.3° |
| C3A | CM4 | F1 | F2 | 116.7° | 120.0° |
| C3A | CM4 | F1 | F3 | 123.2° | 120.0° |
| C3A | CM4 | F2 | F3 | 121.5° | 120.0° |
| O1A | C3A | CM4 | F1 | 166.3° | 0.0° |
| O1A | C3A | CM4 | F2 | 73.4° | 120.0° |
| O1A | C3A | CM4 | F3 | 44.8° | 119.9° |
| F1 | CM4 | F2 | F3 | 121.6° | 120.0° |
