6WC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | PAY | doub | 1.48Å | 1.52Å | |
| OAE | PAY | sing | 1.61Å | 1.52Å | |
| OAC | PAZ | doub | 1.48Å | 1.52Å | |
| PAY | CAL | sing | 1.82Å | 1.84Å | |
| PAY | OAD | sing | 1.61Å | 1.52Å | |
| CAL | OAR | sing | 1.43Å | 1.44Å | |
| PAZ | CAM | sing | 1.82Å | 1.84Å | |
| PAZ | OAF | sing | 1.61Å | 1.51Å | |
| PAZ | OAG | sing | 1.61Å | 1.52Å | |
| OAR | CAJ | sing | 1.43Å | 1.42Å | |
| CAM | OAS | sing | 1.43Å | 1.42Å | |
| OAS | CAK | sing | 1.43Å | 1.45Å | |
| CAW | CAJ | sing | 1.53Å | 1.55Å | |
| CAW | CAN | sing | 1.53Å | 1.52Å | |
| CAW | CAK | sing | 1.53Å | 1.54Å | |
| CAN | N9 | sing | 1.46Å | 1.46Å | |
| N9 | C8 | sing | 1.36Å | 1.31Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.30Å | 1.39Å | |
| N7 | C5 | sing | 1.35Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.37Å | |
| C2 | N1 | sing | 1.36Å | 1.41Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | |
| C6 | O6 | doub | 1.22Å | 1.42Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| OAD | H3 | sing | 0.97Å | 0.95Å | |
| OAE | H4 | sing | 0.97Å | 0.95Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| OAF | H14 | sing | 0.97Å | 0.95Å | |
| OAG | H15 | sing | 0.97Å | 0.95Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | PAY | OAE | 110.2° | 109.4° |
| OAB | PAY | CAL | 108.9° | 109.5° |
| OAB | PAY | OAD | 109.2° | 109.5° |
| OAE | PAY | CAL | 109.2° | 109.5° |
| OAE | PAY | OAD | 109.7° | 109.5° |
| PAY | OAE | H4 | 109.5° | 114.0° |
| OAC | PAZ | CAM | 109.6° | 109.4° |
| OAC | PAZ | OAF | 109.5° | 109.5° |
| OAC | PAZ | OAG | 108.8° | 109.5° |
| CAL | PAY | OAD | 109.6° | 109.5° |
| PAY | CAL | OAR | 108.4° | 109.5° |
| PAY | CAL | H5 | 109.8° | 109.5° |
| PAY | CAL | H6 | 109.8° | 109.5° |
| PAY | OAD | H3 | 109.5° | 114.0° |
| CAL | OAR | CAJ | 114.1° | 114.0° |
| OAR | CAL | H5 | 109.7° | 109.5° |
| OAR | CAL | H6 | 109.8° | 109.4° |
| CAM | PAZ | OAF | 109.8° | 109.5° |
| CAM | PAZ | OAG | 110.1° | 109.5° |
| PAZ | CAM | OAS | 107.4° | 109.5° |
| PAZ | CAM | H12 | 110.0° | 109.5° |
| PAZ | CAM | H13 | 110.0° | 109.4° |
| OAF | PAZ | OAG | 109.0° | 109.5° |
| PAZ | OAF | H14 | 109.5° | 114.0° |
| PAZ | OAG | H15 | 109.5° | 114.1° |
| OAR | CAJ | CAW | 106.9° | 109.5° |
| OAR | CAJ | H7 | 110.1° | 109.5° |
| OAR | CAJ | H8 | 110.1° | 109.5° |
| CAM | OAS | CAK | 114.5° | 114.0° |
| OAS | CAM | H12 | 110.0° | 109.5° |
| OAS | CAM | H13 | 110.0° | 109.5° |
| OAS | CAK | CAW | 107.4° | 109.5° |
| OAS | CAK | H10 | 110.0° | 109.4° |
| OAS | CAK | H11 | 110.0° | 109.5° |
| CAJ | CAW | CAN | 112.7° | 109.4° |
| CAJ | CAW | CAK | 111.4° | 109.4° |
| CAW | CAJ | H7 | 110.1° | 109.5° |
| CAW | CAJ | H8 | 110.1° | 109.4° |
| CAJ | CAW | H9 | 104.7° | 109.5° |
| CAN | CAW | CAK | 117.0° | 109.5° |
| CAW | CAN | N9 | 117.2° | 109.4° |
| CAN | CAW | H9 | 105.0° | 109.5° |
| CAW | CAN | H16 | 107.5° | 109.4° |
| CAW | CAN | H17 | 107.5° | 109.5° |
| CAK | CAW | H9 | 104.8° | 109.5° |
| CAW | CAK | H10 | 110.0° | 109.5° |
| CAW | CAK | H11 | 110.0° | 109.5° |
| CAN | N9 | C8 | 122.8° | 126.3° |
| CAN | N9 | C4 | 122.5° | 126.3° |
| N9 | CAN | H16 | 107.5° | 109.5° |
| N9 | CAN | H17 | 107.5° | 109.5° |
| C8 | N9 | C4 | 114.6° | 107.5° |
| N9 | C8 | N7 | 106.6° | 109.8° |
| N9 | C8 | H1 | 126.7° | 125.1° |
| N9 | C4 | N3 | 133.2° | 134.3° |
| N9 | C4 | C5 | 106.1° | 106.1° |
| C8 | N7 | C5 | 106.8° | 109.3° |
| N7 | C8 | H1 | 126.7° | 125.1° |
| N3 | C4 | C5 | 120.7° | 119.6° |
| C4 | N3 | C2 | 121.6° | 121.2° |
| C4 | C5 | N7 | 105.9° | 107.3° |
| C4 | C5 | C6 | 119.4° | 118.4° |
| N3 | C2 | N1 | 117.8° | 122.2° |
| N3 | C2 | H18 | 121.1° | 118.9° |
| N7 | C5 | C6 | 134.6° | 134.3° |
| C5 | C6 | N1 | 120.5° | 118.2° |
| C5 | C6 | O6 | 119.4° | 120.9° |
| C2 | N1 | C6 | 120.0° | 120.4° |
| C2 | N1 | H2 | 120.0° | 119.8° |
| N1 | C2 | H18 | 121.1° | 118.9° |
| N1 | C6 | O6 | 120.0° | 120.9° |
| C6 | N1 | H2 | 120.0° | 119.8° |
| H5 | CAL | H6 | 109.5° | 109.4° |
| H7 | CAJ | H8 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.4° |
| H12 | CAM | H13 | 109.5° | 109.4° |
| H16 | CAN | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | PAY | OAE | CAL | 119.6° | 120.0° |
| OAB | PAY | OAE | OAD | 120.3° | 120.0° |
| OAB | PAY | CAL | OAD | 119.4° | 120.0° |
| OAB | PAY | CAL | OAR | 39.5° | 60.0° |
| OAB | PAY | OAD | H3 | 0.0° | 59.9° |
| OAB | PAY | OAE | H4 | 0.0° | 180.0° |
| OAB | PAY | CAL | H5 | 80.3° | 60.0° |
| OAB | PAY | CAL | H6 | 159.3° | 180.0° |
| OAE | PAY | CAL | OAD | 120.2° | 120.0° |
| OAE | PAY | CAL | OAR | 159.9° | 60.0° |
| OAE | PAY | OAD | H3 | 120.9° | 60.0° |
| OAE | PAY | CAL | H5 | 40.1° | 180.0° |
| OAE | PAY | CAL | H6 | 80.3° | 60.0° |
| OAC | PAZ | CAM | OAF | 120.3° | 120.0° |
| OAC | PAZ | CAM | OAG | 119.7° | 120.0° |
| OAC | PAZ | OAF | OAG | 118.9° | 120.0° |
| OAC | PAZ | CAM | OAS | 102.3° | 60.0° |
| OAC | PAZ | CAM | H12 | 17.4° | 60.0° |
| OAC | PAZ | CAM | H13 | 138.0° | 180.0° |
| OAC | PAZ | OAF | H14 | 0.0° | 60.0° |
| OAC | PAZ | OAG | H15 | 0.0° | 180.0° |
| PAY | CAL | OAR | H5 | 119.8° | 120.1° |
| PAY | CAL | OAR | H6 | 119.8° | 120.0° |
| PAY | CAL | OAR | CAJ | 137.7° | 75.0° |
| CAL | PAY | OAD | H3 | 119.2° | 179.9° |
| CAL | PAY | OAE | H4 | 119.5° | 60.0° |
| PAY | CAL | H5 | H6 | 120.5° | 120.0° |
| OAD | PAY | CAL | OAR | 79.9° | 180.0° |
| OAD | PAY | OAE | H4 | 120.3° | 60.0° |
| OAD | PAY | CAL | H5 | 160.3° | 60.0° |
| OAD | PAY | CAL | H6 | 39.9° | 60.0° |
| CAL | OAR | CAJ | CAW | 134.6° | 180.0° |
| OAR | CAL | H5 | H6 | 120.5° | 119.9° |
| CAL | OAR | CAJ | H7 | 15.0° | 60.0° |
| CAL | OAR | CAJ | H8 | 105.8° | 60.0° |
| CAM | PAZ | OAF | OAG | 120.7° | 120.0° |
| PAZ | CAM | OAS | H12 | 119.7° | 120.1° |
| PAZ | CAM | OAS | H13 | 119.7° | 120.0° |
| PAZ | CAM | OAS | CAK | 136.6° | 75.0° |
| PAZ | CAM | H12 | H13 | 121.0° | 119.9° |
| CAM | PAZ | OAF | H14 | 120.4° | 180.0° |
| CAM | PAZ | OAG | H15 | 120.2° | 60.0° |
| OAF | PAZ | CAM | OAS | 137.4° | 180.0° |
| OAF | PAZ | CAM | H12 | 102.9° | 59.9° |
| OAF | PAZ | CAM | H13 | 17.7° | 60.0° |
| OAF | PAZ | OAG | H15 | 119.3° | 60.0° |
| OAG | PAZ | CAM | OAS | 17.4° | 59.9° |
| OAG | PAZ | CAM | H12 | 137.1° | 180.0° |
| OAG | PAZ | CAM | H13 | 102.3° | 60.1° |
| OAG | PAZ | OAF | H14 | 118.9° | 60.0° |
| OAR | CAJ | CAW | H7 | 119.6° | 120.0° |
| OAR | CAJ | CAW | H8 | 119.6° | 120.0° |
| OAR | CAJ | CAW | CAN | 96.4° | 175.0° |
| OAR | CAJ | CAW | CAK | 129.8° | 65.0° |
| CAJ | OAR | CAL | H5 | 102.5° | 45.0° |
| CAJ | OAR | CAL | H6 | 17.8° | 165.0° |
| OAR | CAJ | H7 | H8 | 121.2° | 120.0° |
| OAR | CAJ | CAW | H9 | 17.1° | 55.0° |
| CAM | OAS | CAK | CAW | 115.9° | 179.9° |
| CAM | OAS | CAK | H10 | 3.8° | 60.0° |
| CAM | OAS | CAK | H11 | 124.4° | 59.9° |
| OAS | CAM | H12 | H13 | 120.9° | 120.0° |
| OAS | CAK | CAW | CAJ | 93.6° | 65.0° |
| OAS | CAK | CAW | CAN | 134.8° | 175.1° |
| OAS | CAK | CAW | H10 | 119.7° | 120.0° |
| OAS | CAK | CAW | H11 | 119.7° | 120.0° |
| OAS | CAK | CAW | H9 | 19.1° | 55.0° |
| OAS | CAK | H10 | H11 | 120.9° | 120.0° |
| CAK | OAS | CAM | H12 | 103.7° | 165.0° |
| CAK | OAS | CAM | H13 | 16.9° | 45.0° |
| CAJ | CAW | CAN | CAK | 131.1° | 119.9° |
| CAJ | CAW | CAN | H9 | 113.3° | 120.0° |
| CAJ | CAW | CAK | H9 | 112.6° | 120.0° |
| CAJ | CAW | CAN | N9 | 94.7° | 65.0° |
| CAW | CAJ | H7 | H8 | 121.2° | 120.0° |
| CAJ | CAW | CAK | H10 | 146.7° | 55.0° |
| CAJ | CAW | CAK | H11 | 26.1° | 175.0° |
| CAJ | CAW | CAN | H16 | 26.5° | 175.0° |
| CAJ | CAW | CAN | H17 | 144.2° | 55.0° |
| CAN | CAW | CAK | H9 | 115.7° | 120.0° |
| CAW | CAN | N9 | H16 | 121.1° | 119.9° |
| CAW | CAN | N9 | H17 | 121.1° | 120.1° |
| CAW | CAN | N9 | C8 | 80.1° | 95.1° |
| CAW | CAN | N9 | C4 | 102.4° | 85.0° |
| CAN | CAW | CAJ | H7 | 144.0° | 65.0° |
| CAN | CAW | CAJ | H8 | 23.2° | 55.0° |
| CAN | CAW | CAK | H10 | 15.1° | 65.0° |
| CAN | CAW | CAK | H11 | 105.5° | 55.0° |
| CAW | CAN | H16 | H17 | 116.5° | 120.0° |
| CAK | CAW | CAN | N9 | 36.4° | 175.0° |
| CAK | CAW | CAJ | H7 | 10.2° | 55.0° |
| CAK | CAW | CAJ | H8 | 110.6° | 175.0° |
| CAW | CAK | H10 | H11 | 121.0° | 120.0° |
| CAK | CAW | CAN | H16 | 157.5° | 55.1° |
| CAK | CAW | CAN | H17 | 84.7° | 64.9° |
| CAN | N9 | C8 | C4 | 177.6° | 179.9° |
| CAN | N9 | C8 | N7 | 179.1° | 179.8° |
| CAN | N9 | C4 | N3 | 1.6° | 0.1° |
| CAN | N9 | C4 | C5 | 178.9° | 179.8° |
| CAN | N9 | C8 | H1 | 0.9° | 0.2° |
| N9 | CAN | CAW | H9 | 152.0° | 55.0° |
| N9 | CAN | H16 | H17 | 116.5° | 120.0° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| C8 | N9 | C4 | N3 | 179.2° | 180.0° |
| C8 | N9 | C4 | C5 | 1.2° | 0.3° |
| N9 | C8 | N7 | C5 | 1.1° | 0.1° |
| C8 | N9 | CAN | H16 | 158.8° | 145.0° |
| C8 | N9 | CAN | H17 | 41.0° | 25.0° |
| C4 | N9 | C8 | N7 | 1.5° | 0.2° |
| N9 | C4 | N3 | C5 | 179.5° | 179.6° |
| N9 | C4 | N3 | C2 | 179.6° | 179.6° |
| N9 | C4 | C5 | N7 | 0.4° | 0.3° |
| N9 | C4 | C5 | C6 | 179.6° | 179.7° |
| C4 | N9 | C8 | H1 | 178.5° | 179.7° |
| C4 | N9 | CAN | H16 | 18.7° | 34.9° |
| C4 | N9 | CAN | H17 | 136.4° | 154.9° |
| C8 | N7 | C5 | C4 | 0.4° | 0.1° |
| C8 | N7 | C5 | C6 | 179.6° | 179.9° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | N3 | C2 | H18 | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C4 | C5 | N7 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.1° |
| C4 | C5 | C6 | O6 | 179.9° | 180.0° |
| N3 | C2 | N1 | H18 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.2° | 0.0° |
| N3 | C2 | N1 | H2 | 179.8° | 179.9° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| N7 | C5 | C6 | O6 | 0.1° | 0.0° |
| C5 | N7 | C8 | H1 | 178.9° | 179.9° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C5 | C6 | N1 | O6 | 179.8° | 179.9° |
| C5 | C6 | N1 | H2 | 180.0° | 179.9° |
| C2 | N1 | C6 | H2 | 180.0° | 179.8° |
| C2 | N1 | C6 | O6 | 179.8° | 180.0° |
| C6 | N1 | C2 | H18 | 179.8° | 179.9° |
| O6 | C6 | N1 | H2 | 0.3° | 0.2° |
| H2 | N1 | C2 | H18 | 0.2° | 0.1° |
| H7 | CAJ | CAW | H9 | 102.5° | 175.0° |
| H8 | CAJ | CAW | H9 | 136.7° | 65.0° |
| H9 | CAW | CAK | H10 | 100.6° | 175.0° |
| H9 | CAW | CAK | H11 | 138.7° | 65.0° |
| H9 | CAW | CAN | H16 | 86.9° | 65.0° |
| H9 | CAW | CAN | H17 | 30.9° | 175.0° |
