6W9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | PBA | doub | 1.48Å | 1.52Å | |
| OAD | PAZ | doub | 1.48Å | 1.52Å | |
| OAE | PAZ | sing | 1.61Å | 1.54Å | |
| PAZ | CAP | sing | 1.82Å | 1.88Å | |
| PAZ | OAB | sing | 1.61Å | 1.54Å | |
| PBA | OAF | sing | 1.61Å | 1.50Å | |
| PBA | CAQ | sing | 1.82Å | 1.85Å | |
| PBA | OAG | sing | 1.61Å | 1.51Å | |
| CAQ | CAN | sing | 1.53Å | 1.55Å | |
| CAJ | CAK | sing | 1.53Å | 1.56Å | |
| CAJ | CAL | sing | 1.53Å | 1.58Å | |
| CAP | CAK | sing | 1.53Å | 1.53Å | |
| CAL | NAX | sing | 1.47Å | 1.46Å | |
| CAN | NAX | sing | 1.47Å | 1.41Å | |
| NAX | CAM | sing | 1.47Å | 1.44Å | |
| CAO | CAM | sing | 1.53Å | 1.55Å | |
| CAO | N9 | sing | 1.46Å | 1.43Å | |
| N9 | C8 | sing | 1.36Å | 1.28Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.29Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.33Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C2 | doub | 1.30Å | 1.40Å | |
| N7 | C5 | sing | 1.35Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.37Å | |
| C2 | N1 | sing | 1.36Å | 1.42Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | |
| C6 | O6 | doub | 1.22Å | 1.46Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| OAE | H3 | sing | 0.97Å | 0.95Å | |
| OAB | H4 | sing | 0.97Å | 0.95Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAQ | H17 | sing | 1.09Å | 1.10Å | |
| OAF | H18 | sing | 0.97Å | 0.95Å | |
| OAG | H19 | sing | 0.97Å | 0.95Å | |
| CAM | H20 | sing | 1.09Å | 1.10Å | |
| CAM | H21 | sing | 1.09Å | 1.10Å | |
| CAO | H22 | sing | 1.09Å | 1.10Å | |
| CAO | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | PBA | OAF | 109.7° | 109.5° |
| OAC | PBA | CAQ | 109.3° | 109.5° |
| OAC | PBA | OAG | 109.3° | 109.5° |
| OAD | PAZ | OAE | 109.6° | 109.5° |
| OAD | PAZ | CAP | 109.6° | 109.5° |
| OAD | PAZ | OAB | 109.4° | 109.5° |
| OAE | PAZ | CAP | 109.4° | 109.5° |
| OAE | PAZ | OAB | 109.3° | 109.4° |
| PAZ | OAE | H3 | 109.5° | 114.0° |
| CAP | PAZ | OAB | 109.5° | 109.5° |
| PAZ | CAP | CAK | 110.0° | 109.4° |
| PAZ | CAP | H5 | 109.3° | 109.5° |
| PAZ | CAP | H6 | 109.3° | 109.5° |
| PAZ | OAB | H4 | 109.5° | 114.0° |
| OAF | PBA | CAQ | 109.1° | 109.5° |
| OAF | PBA | OAG | 108.4° | 109.5° |
| PBA | OAF | H18 | 109.5° | 114.0° |
| CAQ | PBA | OAG | 110.9° | 109.5° |
| PBA | CAQ | CAN | 109.0° | 109.5° |
| PBA | CAQ | H16 | 109.6° | 109.5° |
| PBA | CAQ | H17 | 109.6° | 109.5° |
| PBA | OAG | H19 | 109.5° | 114.0° |
| CAQ | CAN | NAX | 109.9° | 109.5° |
| CAQ | CAN | H14 | 109.4° | 109.5° |
| CAQ | CAN | H15 | 109.3° | 109.5° |
| CAN | CAQ | H16 | 109.6° | 109.5° |
| CAN | CAQ | H17 | 109.6° | 109.5° |
| CAK | CAJ | CAL | 109.4° | 109.5° |
| CAJ | CAK | CAP | 110.2° | 109.4° |
| CAJ | CAK | H7 | 109.3° | 109.5° |
| CAJ | CAK | H8 | 109.3° | 109.5° |
| CAK | CAJ | H9 | 109.5° | 109.5° |
| CAK | CAJ | H10 | 109.5° | 109.5° |
| CAJ | CAL | NAX | 109.4° | 109.5° |
| CAL | CAJ | H9 | 109.5° | 109.5° |
| CAL | CAJ | H10 | 109.5° | 109.4° |
| CAJ | CAL | H11 | 109.5° | 109.5° |
| CAJ | CAL | H12 | 109.5° | 109.5° |
| CAK | CAP | H5 | 109.3° | 109.4° |
| CAK | CAP | H6 | 109.3° | 109.5° |
| CAP | CAK | H7 | 109.3° | 109.4° |
| CAP | CAK | H8 | 109.3° | 109.5° |
| CAL | NAX | CAN | 109.1° | 111.0° |
| CAL | NAX | CAM | 110.0° | 111.0° |
| NAX | CAL | H11 | 109.5° | 109.4° |
| NAX | CAL | H12 | 109.5° | 109.5° |
| CAN | NAX | CAM | 109.5° | 111.0° |
| NAX | CAN | H14 | 109.3° | 109.5° |
| NAX | CAN | H15 | 109.4° | 109.5° |
| NAX | CAM | CAO | 110.2° | 109.5° |
| NAX | CAM | H20 | 109.3° | 109.4° |
| NAX | CAM | H21 | 109.3° | 109.5° |
| CAM | CAO | N9 | 109.7° | 109.5° |
| CAO | CAM | H20 | 109.3° | 109.5° |
| CAO | CAM | H21 | 109.3° | 109.5° |
| CAM | CAO | H22 | 109.4° | 109.5° |
| CAM | CAO | H23 | 109.4° | 109.5° |
| CAO | N9 | C8 | 121.7° | 126.3° |
| CAO | N9 | C4 | 122.9° | 126.2° |
| N9 | CAO | H22 | 109.4° | 109.5° |
| N9 | CAO | H23 | 109.4° | 109.5° |
| C8 | N9 | C4 | 115.4° | 107.5° |
| N9 | C8 | N7 | 106.7° | 109.8° |
| N9 | C8 | H1 | 126.7° | 125.1° |
| N9 | C4 | N3 | 132.9° | 134.3° |
| N9 | C4 | C5 | 106.0° | 106.1° |
| C8 | N7 | C5 | 106.1° | 109.3° |
| N7 | C8 | H1 | 126.7° | 125.1° |
| N3 | C4 | C5 | 121.1° | 119.6° |
| C4 | N3 | C2 | 120.9° | 121.2° |
| C4 | C5 | N7 | 105.9° | 107.3° |
| C4 | C5 | C6 | 120.0° | 118.4° |
| N3 | C2 | N1 | 118.2° | 122.2° |
| N3 | C2 | H24 | 120.9° | 118.9° |
| N7 | C5 | C6 | 134.1° | 134.3° |
| C5 | C6 | N1 | 119.9° | 118.2° |
| C5 | C6 | O6 | 120.0° | 120.9° |
| C2 | N1 | C6 | 119.9° | 120.4° |
| C2 | N1 | H2 | 120.1° | 119.8° |
| N1 | C2 | H24 | 120.9° | 118.9° |
| N1 | C6 | O6 | 120.1° | 120.9° |
| C6 | N1 | H2 | 120.0° | 119.8° |
| H5 | CAP | H6 | 109.5° | 109.5° |
| H7 | CAK | H8 | 109.4° | 109.5° |
| H9 | CAJ | H10 | 109.5° | 109.5° |
| H11 | CAL | H12 | 109.5° | 109.5° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAQ | H17 | 109.5° | 109.4° |
| H20 | CAM | H21 | 109.5° | 109.5° |
| H22 | CAO | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | PBA | OAF | CAQ | 119.8° | 120.0° |
| OAC | PBA | OAF | OAG | 119.3° | 120.0° |
| OAC | PBA | CAQ | OAG | 120.7° | 120.0° |
| OAC | PBA | CAQ | CAN | 157.4° | 55.0° |
| OAC | PBA | CAQ | H16 | 37.5° | 65.0° |
| OAC | PBA | CAQ | H17 | 82.6° | 175.0° |
| OAC | PBA | OAF | H18 | 0.0° | 60.0° |
| OAC | PBA | OAG | H19 | 0.0° | 180.0° |
| OAD | PAZ | OAE | CAP | 120.2° | 120.0° |
| OAD | PAZ | OAE | OAB | 119.9° | 120.0° |
| OAD | PAZ | CAP | OAB | 120.0° | 120.0° |
| OAD | PAZ | CAP | CAK | 73.2° | 55.0° |
| OAD | PAZ | OAE | H3 | 0.0° | 60.0° |
| OAD | PAZ | OAB | H4 | 0.0° | 180.0° |
| OAD | PAZ | CAP | H5 | 166.8° | 65.0° |
| OAD | PAZ | CAP | H6 | 46.9° | 175.0° |
| OAE | PAZ | CAP | OAB | 119.8° | 120.0° |
| OAE | PAZ | CAP | CAK | 166.7° | 175.0° |
| OAE | PAZ | OAB | H4 | 120.0° | 60.0° |
| OAE | PAZ | CAP | H5 | 46.6° | 55.0° |
| OAE | PAZ | CAP | H6 | 73.3° | 65.0° |
| PAZ | CAP | CAK | CAJ | 92.7° | 180.0° |
| PAZ | CAP | CAK | H5 | 120.1° | 120.0° |
| PAZ | CAP | CAK | H6 | 120.1° | 120.0° |
| CAP | PAZ | OAE | H3 | 120.2° | 180.0° |
| CAP | PAZ | OAB | H4 | 120.1° | 60.0° |
| PAZ | CAP | H5 | H6 | 119.8° | 120.0° |
| PAZ | CAP | CAK | H7 | 147.2° | 60.0° |
| PAZ | CAP | CAK | H8 | 27.4° | 60.0° |
| OAB | PAZ | CAP | CAK | 46.8° | 65.0° |
| OAB | PAZ | OAE | H3 | 119.9° | 60.0° |
| OAB | PAZ | CAP | H5 | 73.2° | 175.0° |
| OAB | PAZ | CAP | H6 | 166.9° | 55.0° |
| OAF | PBA | CAQ | OAG | 119.4° | 120.0° |
| OAF | PBA | CAQ | CAN | 37.5° | 175.0° |
| OAF | PBA | CAQ | H16 | 82.4° | 55.0° |
| OAF | PBA | CAQ | H17 | 157.4° | 65.0° |
| OAF | PBA | OAG | H19 | 119.5° | 60.0° |
| PBA | CAQ | CAN | H16 | 119.9° | 120.0° |
| PBA | CAQ | CAN | H17 | 119.9° | 120.1° |
| PBA | CAQ | CAN | NAX | 163.1° | 177.5° |
| PBA | CAQ | CAN | H14 | 76.9° | 62.5° |
| PBA | CAQ | CAN | H15 | 43.0° | 57.5° |
| PBA | CAQ | H16 | H17 | 120.2° | 120.0° |
| CAQ | PBA | OAF | H18 | 119.7° | 180.0° |
| CAQ | PBA | OAG | H19 | 120.7° | 60.0° |
| OAG | PBA | CAQ | CAN | 81.9° | 65.0° |
| OAG | PBA | CAQ | H16 | 158.2° | 175.0° |
| OAG | PBA | CAQ | H17 | 38.0° | 55.0° |
| OAG | PBA | OAF | H18 | 119.3° | 60.0° |
| CAQ | CAN | NAX | CAL | 120.6° | 163.8° |
| CAQ | CAN | NAX | H14 | 120.1° | 120.0° |
| CAQ | CAN | NAX | H15 | 120.0° | 120.0° |
| CAQ | CAN | NAX | CAM | 119.0° | 72.3° |
| CAQ | CAN | H14 | H15 | 119.8° | 120.0° |
| CAN | CAQ | H16 | H17 | 120.2° | 119.9° |
| CAK | CAJ | CAL | H9 | 120.0° | 120.0° |
| CAK | CAJ | CAL | H10 | 120.0° | 120.0° |
| CAJ | CAK | CAP | H7 | 120.1° | 120.0° |
| CAJ | CAK | CAP | H8 | 120.1° | 120.0° |
| CAK | CAJ | CAL | NAX | 99.9° | 180.0° |
| CAJ | CAK | CAP | H5 | 147.2° | 60.0° |
| CAJ | CAK | CAP | H6 | 27.4° | 60.0° |
| CAJ | CAK | H7 | H8 | 119.7° | 120.1° |
| CAK | CAJ | H9 | H10 | 120.0° | 120.0° |
| CAK | CAJ | CAL | H11 | 140.1° | 60.0° |
| CAK | CAJ | CAL | H12 | 20.1° | 60.0° |
| CAL | CAJ | CAK | CAP | 154.7° | 180.0° |
| CAJ | CAL | NAX | H11 | 120.0° | 120.0° |
| CAJ | CAL | NAX | H12 | 120.0° | 120.0° |
| CAJ | CAL | NAX | CAN | 135.3° | 66.1° |
| CAJ | CAL | NAX | CAM | 104.6° | 170.0° |
| CAL | CAJ | CAK | H7 | 34.5° | 60.0° |
| CAL | CAJ | CAK | H8 | 85.2° | 60.0° |
| CAL | CAJ | H9 | H10 | 120.0° | 120.0° |
| CAJ | CAL | H11 | H12 | 120.0° | 120.0° |
| CAK | CAP | H5 | H6 | 119.8° | 120.0° |
| CAP | CAK | H7 | H8 | 119.7° | 120.0° |
| CAP | CAK | CAJ | H9 | 34.7° | 60.0° |
| CAP | CAK | CAJ | H10 | 85.3° | 60.0° |
| CAL | NAX | CAN | CAM | 120.4° | 123.9° |
| CAL | NAX | CAM | CAO | 109.7° | 76.1° |
| NAX | CAL | CAJ | H9 | 20.1° | 60.0° |
| NAX | CAL | CAJ | H10 | 140.1° | 60.0° |
| NAX | CAL | H11 | H12 | 120.1° | 120.0° |
| CAL | NAX | CAN | H14 | 119.3° | 43.8° |
| CAL | NAX | CAN | H15 | 0.6° | 76.2° |
| CAL | NAX | CAM | H20 | 130.3° | 163.9° |
| CAL | NAX | CAM | H21 | 10.5° | 43.9° |
| CAN | NAX | CAM | CAO | 130.5° | 160.0° |
| CAN | NAX | CAL | H11 | 15.4° | 53.9° |
| CAN | NAX | CAL | H12 | 104.7° | 173.9° |
| NAX | CAN | H14 | H15 | 119.8° | 120.0° |
| NAX | CAN | CAQ | H16 | 43.1° | 57.5° |
| NAX | CAN | CAQ | H17 | 77.0° | 62.4° |
| CAN | NAX | CAM | H20 | 10.4° | 40.0° |
| CAN | NAX | CAM | H21 | 109.4° | 80.0° |
| NAX | CAM | CAO | H20 | 120.1° | 120.0° |
| NAX | CAM | CAO | H21 | 120.1° | 120.0° |
| NAX | CAM | CAO | N9 | 162.3° | 176.0° |
| CAM | NAX | CAL | H11 | 135.4° | 70.0° |
| CAM | NAX | CAL | H12 | 15.4° | 50.0° |
| CAM | NAX | CAN | H14 | 1.1° | 167.8° |
| CAM | NAX | CAN | H15 | 121.0° | 47.7° |
| NAX | CAM | H20 | H21 | 119.7° | 120.0° |
| NAX | CAM | CAO | H22 | 77.7° | 64.0° |
| NAX | CAM | CAO | H23 | 42.2° | 56.0° |
| CAM | CAO | N9 | H22 | 120.0° | 120.0° |
| CAM | CAO | N9 | H23 | 120.0° | 120.0° |
| CAM | CAO | N9 | C8 | 75.9° | 95.0° |
| CAM | CAO | N9 | C4 | 103.9° | 85.0° |
| CAO | CAM | H20 | H21 | 119.6° | 120.0° |
| CAM | CAO | H22 | H23 | 119.9° | 120.0° |
| CAO | N9 | C8 | C4 | 179.9° | 180.0° |
| CAO | N9 | C8 | N7 | 180.0° | 179.8° |
| CAO | N9 | C4 | N3 | 0.1° | 0.0° |
| CAO | N9 | C4 | C5 | 180.0° | 179.7° |
| CAO | N9 | C8 | H1 | 0.0° | 0.1° |
| N9 | CAO | CAM | H20 | 42.1° | 56.0° |
| N9 | CAO | CAM | H21 | 77.6° | 64.0° |
| N9 | CAO | H22 | H23 | 119.9° | 120.0° |
| N9 | C8 | N7 | H1 | 180.0° | 179.9° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| C8 | N9 | C4 | C5 | 0.1° | 0.3° |
| N9 | C8 | N7 | C5 | 0.0° | 0.1° |
| C8 | N9 | CAO | H22 | 164.0° | 144.9° |
| C8 | N9 | CAO | H23 | 44.1° | 25.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.3° |
| N9 | C4 | N3 | C5 | 179.9° | 179.7° |
| N9 | C4 | N3 | C2 | 179.8° | 179.6° |
| N9 | C4 | C5 | N7 | 0.0° | 0.2° |
| N9 | C4 | C5 | C6 | 180.0° | 179.8° |
| C4 | N9 | C8 | H1 | 179.9° | 179.8° |
| C4 | N9 | CAO | H22 | 16.1° | 35.0° |
| C4 | N9 | CAO | H23 | 136.0° | 155.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.1° |
| C8 | N7 | C5 | C6 | 180.0° | 179.9° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| C4 | N3 | C2 | H24 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.1° |
| C4 | C5 | N7 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| N3 | C2 | N1 | H24 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| N3 | C2 | N1 | H2 | 179.9° | 179.9° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C6 | O6 | 0.0° | 0.0° |
| C5 | N7 | C8 | H1 | 179.9° | 180.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N1 | O6 | 179.9° | 180.0° |
| C5 | C6 | N1 | H2 | 180.0° | 179.9° |
| C2 | N1 | C6 | H2 | 180.0° | 179.9° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| C6 | N1 | C2 | H24 | 179.9° | 179.9° |
| O6 | C6 | N1 | H2 | 0.1° | 0.1° |
| H2 | N1 | C2 | H24 | 0.1° | 0.0° |
| H5 | CAP | CAK | H7 | 27.1° | 180.0° |
| H5 | CAP | CAK | H8 | 92.6° | 60.0° |
| H6 | CAP | CAK | H7 | 92.8° | 60.0° |
| H6 | CAP | CAK | H8 | 147.5° | 180.0° |
| H7 | CAK | CAJ | H9 | 85.5° | 179.9° |
| H7 | CAK | CAJ | H10 | 154.5° | 59.9° |
| H8 | CAK | CAJ | H9 | 154.8° | 60.0° |
| H8 | CAK | CAJ | H10 | 34.8° | 180.0° |
| H9 | CAJ | CAL | H11 | 99.9° | 179.9° |
| H9 | CAJ | CAL | H12 | 140.1° | 60.1° |
| H10 | CAJ | CAL | H11 | 20.2° | 60.0° |
| H10 | CAJ | CAL | H12 | 99.9° | 180.0° |
| H14 | CAN | CAQ | H16 | 163.2° | 177.5° |
| H14 | CAN | CAQ | H17 | 43.0° | 57.6° |
| H15 | CAN | CAQ | H16 | 76.9° | 62.5° |
| H15 | CAN | CAQ | H17 | 162.9° | 177.6° |
| H20 | CAM | CAO | H22 | 162.2° | 176.1° |
| H20 | CAM | CAO | H23 | 77.9° | 64.0° |
| H21 | CAM | CAO | H22 | 42.4° | 56.0° |
| H21 | CAM | CAO | H23 | 162.4° | 176.0° |
