6WY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAY | doub | 1.22Å | 1.24Å | |
| NAS | CAY | sing | 1.35Å | 1.38Å | |
| NAS | CAZ | sing | 1.34Å | 1.39Å | |
| CAY | CBA | sing | 1.47Å | 1.40Å | |
| OAE | CAZ | doub | 1.22Å | 1.23Å | |
| CAZ | NBE | sing | 1.34Å | 1.36Å | |
| CBA | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CBA | CBB | sing | 1.41Å | 1.42Å | Aromatic |
| CAK | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| NBE | CBB | sing | 1.39Å | 1.38Å | |
| NBE | CAR | sing | 1.47Å | 1.49Å | |
| CBB | CAL | doub | 1.39Å | 1.41Å | Aromatic |
| CAR | CAV | sing | 1.51Å | 1.43Å | |
| CAG | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.50Å | 1.42Å | |
| C | NBC | sing | 1.33Å | 1.36Å | |
| CAP | N | sing | 1.47Å | 1.49Å | |
| CAP | CAO | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | CAU | sing | 1.35Å | 1.36Å | |
| CAU | CAX | sing | 1.48Å | 1.40Å | |
| CAU | OAC | doub | 1.22Å | 1.23Å | |
| CAX | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | NBC | sing | 1.46Å | 1.48Å | |
| CAN | CAA | sing | 1.53Å | 1.53Å | |
| CAI | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| NBC | CAO | sing | 1.46Å | 1.50Å | |
| CAW | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | FAF | sing | 1.35Å | 1.33Å | |
| NAS | H1 | sing | 0.97Å | 1.00Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAY | NAS | 117.9° | 120.8° |
| OAD | CAY | CBA | 123.6° | 120.9° |
| CAY | NAS | CAZ | 120.9° | 121.2° |
| NAS | CAY | CBA | 118.5° | 118.3° |
| CAY | NAS | H1 | 119.5° | 119.4° |
| NAS | CAZ | OAE | 117.0° | 118.6° |
| NAS | CAZ | NBE | 121.1° | 122.8° |
| CAZ | NAS | H1 | 119.6° | 119.4° |
| CAY | CBA | CAK | 119.9° | 121.7° |
| CAY | CBA | CBB | 119.4° | 118.2° |
| OAE | CAZ | NBE | 121.9° | 118.6° |
| CAZ | NBE | CBB | 119.6° | 120.7° |
| CAZ | NBE | CAR | 116.9° | 119.6° |
| CAK | CBA | CBB | 120.7° | 120.1° |
| CBA | CAK | CAG | 120.8° | 119.5° |
| CBA | CAK | H2 | 119.6° | 120.2° |
| CBA | CBB | NBE | 120.5° | 118.8° |
| CBA | CBB | CAL | 117.1° | 119.6° |
| CAK | CAG | CAH | 119.2° | 120.4° |
| CAG | CAK | H2 | 119.6° | 120.3° |
| CAK | CAG | H3 | 120.4° | 119.8° |
| CBB | NBE | CAR | 123.6° | 119.7° |
| NBE | CBB | CAL | 122.4° | 121.6° |
| NBE | CAR | CAV | 112.8° | 109.5° |
| NBE | CAR | H6 | 108.7° | 109.5° |
| NBE | CAR | H7 | 108.6° | 109.5° |
| CBB | CAL | CAH | 121.7° | 119.7° |
| CBB | CAL | H5 | 119.2° | 120.1° |
| CAR | CAV | CAM | 123.7° | 119.9° |
| CAR | CAV | CAI | 118.8° | 119.9° |
| CAV | CAR | H6 | 108.6° | 109.5° |
| CAV | CAR | H7 | 108.6° | 109.5° |
| CAG | CAH | CAL | 120.5° | 120.7° |
| CAH | CAG | H3 | 120.4° | 119.8° |
| CAG | CAH | H4 | 119.7° | 119.7° |
| CAL | CAH | H4 | 119.8° | 119.6° |
| CAH | CAL | H5 | 119.2° | 120.1° |
| CAV | CAM | CAX | 121.6° | 119.9° |
| CAM | CAV | CAI | 117.4° | 120.2° |
| CAV | CAM | H8 | 119.2° | 120.0° |
| CAM | CAX | CAU | 120.1° | 120.1° |
| CAM | CAX | CAW | 119.5° | 119.7° |
| CAX | CAM | H8 | 119.2° | 120.1° |
| CAV | CAI | CAJ | 121.0° | 120.4° |
| CAV | CAI | H9 | 119.5° | 119.8° |
| O | C | CA | 118.2° | 118.5° |
| O | C | NBC | 118.6° | 118.3° |
| CA | C | NBC | 123.2° | 123.1° |
| C | CA | N | 113.0° | 108.9° |
| C | CA | H15 | 108.6° | 109.5° |
| C | CA | H16 | 108.6° | 109.6° |
| C | NBC | CAN | 117.4° | 117.7° |
| C | NBC | CAO | 118.2° | 124.7° |
| N | CAP | CAO | 108.4° | 108.2° |
| CAP | N | CA | 118.1° | 117.3° |
| CAP | N | CAU | 125.4° | 121.4° |
| N | CAP | H11 | 109.7° | 109.7° |
| N | CAP | H12 | 109.7° | 109.7° |
| CAP | CAO | NBC | 104.9° | 110.8° |
| CAO | CAP | H11 | 109.8° | 109.7° |
| CAO | CAP | H12 | 109.7° | 109.7° |
| CAP | CAO | H13 | 110.6° | 109.2° |
| CAP | CAO | H14 | 110.6° | 109.2° |
| CA | N | CAU | 116.5° | 121.4° |
| N | CA | H15 | 108.6° | 109.6° |
| N | CA | H16 | 108.6° | 109.6° |
| N | CAU | CAX | 123.2° | 120.0° |
| N | CAU | OAC | 120.8° | 120.0° |
| CAX | CAU | OAC | 116.0° | 120.0° |
| CAU | CAX | CAW | 120.4° | 120.2° |
| CAX | CAW | CAJ | 119.7° | 119.8° |
| CAX | CAW | FAF | 120.1° | 120.1° |
| NBC | CAN | CAA | 113.1° | 109.5° |
| CAN | NBC | CAO | 124.4° | 117.7° |
| NBC | CAN | H17 | 108.6° | 109.5° |
| NBC | CAN | H18 | 108.6° | 109.5° |
| CAA | CAN | H17 | 108.6° | 109.4° |
| CAA | CAN | H18 | 108.5° | 109.4° |
| CAN | CAA | H19 | 109.5° | 109.5° |
| CAN | CAA | H20 | 109.5° | 109.4° |
| CAN | CAA | H21 | 109.4° | 109.4° |
| CAI | CAJ | CAW | 120.8° | 120.1° |
| CAJ | CAI | H9 | 119.5° | 119.8° |
| CAI | CAJ | H10 | 119.6° | 120.0° |
| NBC | CAO | H13 | 110.6° | 109.3° |
| NBC | CAO | H14 | 110.6° | 109.2° |
| CAJ | CAW | FAF | 120.2° | 120.1° |
| CAW | CAJ | H10 | 119.6° | 120.0° |
| H6 | CAR | H7 | 109.5° | 109.5° |
| H11 | CAP | H12 | 109.5° | 109.8° |
| H13 | CAO | H14 | 109.5° | 109.2° |
| H15 | CA | H16 | 109.4° | 109.6° |
| H17 | CAN | H18 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAY | NAS | CBA | 179.8° | 179.9° |
| OAD | CAY | NAS | CAZ | 179.6° | 180.0° |
| OAD | CAY | CBA | CAK | 0.4° | 0.1° |
| OAD | CAY | CBA | CBB | 179.6° | 180.0° |
| OAD | CAY | NAS | H1 | 0.5° | 0.0° |
| CAY | NAS | CAZ | H1 | 180.0° | 180.0° |
| CAY | NAS | CAZ | OAE | 179.9° | 180.0° |
| CAY | NAS | CAZ | NBE | 0.7° | 0.3° |
| NAS | CAY | CBA | CAK | 179.8° | 180.0° |
| NAS | CAY | CBA | CBB | 0.2° | 0.1° |
| CAZ | NAS | CAY | CBA | 0.3° | 0.1° |
| NAS | CAZ | OAE | NBE | 179.4° | 179.7° |
| NAS | CAZ | NBE | CBB | 1.0° | 0.6° |
| NAS | CAZ | NBE | CAR | 179.9° | 179.7° |
| CAY | CBA | CAK | CBB | 180.0° | 179.9° |
| CAY | CBA | CAK | CAG | 179.7° | 180.0° |
| CAY | CBA | CBB | NBE | 0.5° | 0.3° |
| CAY | CBA | CBB | CAL | 180.0° | 180.0° |
| CBA | CAY | NAS | H1 | 179.7° | 180.0° |
| CAY | CBA | CAK | H2 | 0.3° | 0.0° |
| OAE | CAZ | NBE | CBB | 179.6° | 179.8° |
| OAE | CAZ | NBE | CAR | 0.7° | 0.0° |
| OAE | CAZ | NAS | H1 | 0.1° | 0.1° |
| CAZ | NBE | CBB | CBA | 0.9° | 0.6° |
| CAZ | NBE | CBB | CAR | 178.9° | 179.7° |
| CAZ | NBE | CBB | CAL | 179.7° | 179.7° |
| CAZ | NBE | CAR | CAV | 94.8° | 90.0° |
| NBE | CAZ | NAS | H1 | 179.3° | 179.7° |
| CAZ | NBE | CAR | H6 | 25.7° | 150.0° |
| CAZ | NBE | CAR | H7 | 144.7° | 30.0° |
| CBA | CAK | CAG | H2 | 180.0° | 180.0° |
| CAK | CBA | CBB | NBE | 179.5° | 179.8° |
| CAK | CBA | CBB | CAL | 0.0° | 0.0° |
| CBA | CAK | CAG | CAH | 0.2° | 0.1° |
| CBA | CAK | CAG | H3 | 179.8° | 180.0° |
| CBB | CBA | CAK | CAG | 0.3° | 0.1° |
| CBA | CBB | NBE | CAL | 179.5° | 179.7° |
| CBA | CBB | NBE | CAR | 179.8° | 179.7° |
| CBA | CBB | CAL | CAH | 0.5° | 0.0° |
| CBB | CBA | CAK | H2 | 179.7° | 179.9° |
| CBA | CBB | CAL | H5 | 179.5° | 180.0° |
| CAK | CAG | CAH | H3 | 180.0° | 179.9° |
| CAK | CAG | CAH | CAL | 0.3° | 0.0° |
| CAK | CAG | CAH | H4 | 179.7° | 180.0° |
| CBB | NBE | CAR | CAV | 86.3° | 89.7° |
| NBE | CBB | CAL | CAH | 180.0° | 179.8° |
| NBE | CBB | CAL | H5 | 0.0° | 0.3° |
| CBB | NBE | CAR | H6 | 153.2° | 30.3° |
| CBB | NBE | CAR | H7 | 34.2° | 150.3° |
| CAR | NBE | CBB | CAL | 0.8° | 0.0° |
| NBE | CAR | CAV | H6 | 120.5° | 120.0° |
| NBE | CAR | CAV | H7 | 120.5° | 120.0° |
| NBE | CAR | CAV | CAM | 40.5° | 89.7° |
| NBE | CAR | CAV | CAI | 142.0° | 90.0° |
| NBE | CAR | H6 | H7 | 118.5° | 120.0° |
| CBB | CAL | CAH | CAG | 0.7° | 0.0° |
| CBB | CAL | CAH | H5 | 180.0° | 180.0° |
| CBB | CAL | CAH | H4 | 179.3° | 180.0° |
| CAR | CAV | CAM | CAI | 177.5° | 179.7° |
| CAR | CAV | CAM | CAX | 178.2° | 180.0° |
| CAR | CAV | CAI | CAJ | 178.8° | 180.0° |
| CAV | CAR | H6 | H7 | 118.5° | 120.0° |
| CAR | CAV | CAM | H8 | 1.9° | 0.0° |
| CAR | CAV | CAI | H9 | 1.2° | 0.0° |
| CAG | CAH | CAL | H4 | 180.0° | 180.0° |
| CAH | CAG | CAK | H2 | 179.8° | 179.9° |
| CAG | CAH | CAL | H5 | 179.3° | 180.0° |
| CAL | CAH | CAG | H3 | 179.7° | 180.0° |
| CAV | CAM | CAX | H8 | 180.0° | 180.0° |
| CAV | CAM | CAX | CAU | 178.0° | 180.0° |
| CAV | CAM | CAX | CAW | 0.4° | 0.0° |
| CAM | CAV | CAI | CAJ | 1.1° | 0.3° |
| CAM | CAV | CAR | H6 | 80.0° | 150.3° |
| CAM | CAV | CAR | H7 | 161.0° | 30.3° |
| CAM | CAV | CAI | H9 | 178.9° | 179.7° |
| CAX | CAM | CAV | CAI | 0.7° | 0.3° |
| CAM | CAX | CAU | N | 105.5° | 50.2° |
| CAM | CAX | CAU | CAW | 177.6° | 180.0° |
| CAM | CAX | CAU | OAC | 75.3° | 129.9° |
| CAM | CAX | CAW | CAJ | 0.9° | 0.2° |
| CAM | CAX | CAW | FAF | 179.4° | 179.9° |
| CAV | CAI | CAJ | H9 | 180.0° | 180.0° |
| CAV | CAI | CAJ | CAW | 0.6° | 0.0° |
| CAI | CAV | CAR | H6 | 97.5° | 30.0° |
| CAI | CAV | CAR | H7 | 21.6° | 150.0° |
| CAI | CAV | CAM | H8 | 179.3° | 179.7° |
| CAV | CAI | CAJ | H10 | 179.4° | 180.0° |
| O | C | CA | NBC | 177.5° | 180.0° |
| O | C | CA | N | 156.8° | 167.3° |
| O | C | NBC | CAN | 1.7° | 4.4° |
| O | C | NBC | CAO | 179.5° | 175.5° |
| O | C | CA | H15 | 36.2° | 47.5° |
| O | C | CA | H16 | 82.7° | 72.8° |
| C | CA | N | CAP | 0.7° | 42.5° |
| C | CA | N | H15 | 120.6° | 119.8° |
| C | CA | N | H16 | 120.6° | 119.9° |
| C | CA | N | CAU | 179.4° | 137.2° |
| CA | C | NBC | CAN | 179.2° | 175.7° |
| CA | C | NBC | CAO | 2.0° | 4.4° |
| C | CA | H15 | H16 | 118.4° | 120.3° |
| C | NBC | CAO | CAP | 43.3° | 22.0° |
| NBC | C | CA | N | 25.8° | 12.7° |
| C | NBC | CAN | CAO | 178.7° | 179.9° |
| C | NBC | CAN | CAA | 162.7° | 90.0° |
| C | NBC | CAO | H13 | 162.6° | 142.4° |
| C | NBC | CAO | H14 | 75.9° | 98.2° |
| NBC | C | CA | H15 | 146.3° | 132.5° |
| NBC | C | CA | H16 | 94.8° | 107.2° |
| C | NBC | CAN | H17 | 42.2° | 150.1° |
| C | NBC | CAN | H18 | 76.7° | 30.0° |
| N | CAP | CAO | H11 | 119.8° | 119.6° |
| N | CAP | CAO | H12 | 119.8° | 119.6° |
| CAP | N | CA | CAU | 179.9° | 179.7° |
| CAP | N | CAU | CAX | 0.4° | 175.8° |
| CAP | N | CAU | OAC | 178.8° | 4.2° |
| N | CAP | CAO | NBC | 63.4° | 46.7° |
| N | CAP | H11 | H12 | 120.5° | 120.6° |
| N | CAP | CAO | H13 | 177.3° | 167.1° |
| N | CAP | CAO | H14 | 55.8° | 73.5° |
| CAP | N | CA | H15 | 121.3° | 162.3° |
| CAP | N | CA | H16 | 119.8° | 77.5° |
| CAO | CAP | N | CA | 44.2° | 61.2° |
| CAO | CAP | N | CAU | 135.7° | 118.5° |
| CAP | CAO | NBC | CAN | 135.4° | 158.1° |
| CAP | CAO | NBC | H13 | 119.2° | 120.4° |
| CAP | CAO | NBC | H14 | 119.3° | 120.3° |
| CAO | CAP | H11 | H12 | 120.5° | 120.7° |
| CAP | CAO | H13 | H14 | 122.1° | 119.4° |
| CA | N | CAU | CAX | 179.7° | 3.9° |
| CA | N | CAU | OAC | 1.0° | 176.1° |
| CA | N | CAP | H11 | 75.7° | 58.4° |
| CA | N | CAP | H12 | 164.0° | 179.1° |
| N | CA | H15 | H16 | 118.4° | 120.3° |
| N | CAU | CAX | OAC | 179.3° | 179.9° |
| N | CAU | CAX | CAW | 77.0° | 129.9° |
| CAU | N | CAP | H11 | 104.5° | 121.8° |
| CAU | N | CAP | H12 | 15.8° | 1.2° |
| CAU | N | CA | H15 | 58.8° | 17.4° |
| CAU | N | CA | H16 | 60.1° | 102.8° |
| CAU | CAX | CAW | CAJ | 178.6° | 179.7° |
| CAU | CAX | CAW | FAF | 1.8° | 0.0° |
| CAU | CAX | CAM | H8 | 2.0° | 0.0° |
| OAC | CAU | CAX | CAW | 102.3° | 50.0° |
| CAX | CAW | CAJ | CAI | 0.5° | 0.2° |
| CAX | CAW | CAJ | FAF | 179.6° | 179.7° |
| CAW | CAX | CAM | H8 | 179.6° | 180.0° |
| CAX | CAW | CAJ | H10 | 179.5° | 179.8° |
| NBC | CAN | CAA | H17 | 120.5° | 120.0° |
| NBC | CAN | CAA | H18 | 120.5° | 120.0° |
| CAN | NBC | CAO | H13 | 16.1° | 37.7° |
| CAN | NBC | CAO | H14 | 105.3° | 81.7° |
| NBC | CAN | H17 | H18 | 118.4° | 120.1° |
| NBC | CAN | CAA | H19 | 180.0° | 60.0° |
| NBC | CAN | CAA | H20 | 60.0° | 60.0° |
| NBC | CAN | CAA | H21 | 60.0° | 180.0° |
| CAA | CAN | NBC | CAO | 18.5° | 90.1° |
| CAA | CAN | H17 | H18 | 118.3° | 119.9° |
| CAN | CAA | H19 | H20 | 120.0° | 119.9° |
| CAN | CAA | H19 | H21 | 120.0° | 120.0° |
| CAN | CAA | H20 | H21 | 120.0° | 119.9° |
| CAI | CAJ | CAW | H10 | 180.0° | 180.0° |
| CAI | CAJ | CAW | FAF | 179.9° | 179.9° |
| NBC | CAO | CAP | H11 | 56.4° | 72.9° |
| NBC | CAO | CAP | H12 | 176.8° | 166.3° |
| NBC | CAO | H13 | H14 | 122.1° | 119.3° |
| CAO | NBC | CAN | H17 | 139.1° | 29.8° |
| CAO | NBC | CAN | H18 | 102.0° | 149.9° |
| CAW | CAJ | CAI | H9 | 179.4° | 179.9° |
| FAF | CAW | CAJ | H10 | 0.1° | 0.1° |
| H2 | CAK | CAG | H3 | 0.2° | 0.0° |
| H3 | CAG | CAH | H4 | 0.3° | 0.0° |
| H4 | CAH | CAL | H5 | 0.7° | 0.0° |
| H9 | CAI | CAJ | H10 | 0.6° | 0.0° |
| H11 | CAP | CAO | H13 | 62.8° | 47.5° |
| H11 | CAP | CAO | H14 | 175.7° | 166.8° |
| H12 | CAP | CAO | H13 | 57.5° | 73.3° |
| H12 | CAP | CAO | H14 | 64.0° | 46.1° |
| H17 | CAN | CAA | H19 | 59.5° | 180.0° |
| H17 | CAN | CAA | H20 | 179.5° | 60.0° |
| H17 | CAN | CAA | H21 | 60.5° | 60.0° |
| H18 | CAN | CAA | H19 | 59.5° | 60.0° |
| H18 | CAN | CAA | H20 | 60.6° | 180.0° |
| H18 | CAN | CAA | H21 | 179.5° | 60.0° |
| H19 | CAA | H20 | H21 | 120.0° | 120.1° |
