WFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAR | sing | 1.55Å | 1.61Å | |
| CAT | NAS | sing | 1.49Å | 1.49Å | |
| CAR | CAQ | sing | 1.55Å | 1.47Å | |
| FAV | CAQ | sing | 1.40Å | 1.37Å | |
| NAS | CAU | sing | 1.48Å | 1.47Å | |
| CAQ | CAU | sing | 1.54Å | 1.51Å | |
| CAQ | CAO | sing | 1.53Å | 1.53Å | |
| CAP | CAO | sing | 1.53Å | 1.64Å | |
| CAO | NAG | sing | 1.47Å | 1.45Å | |
| CAH | NAG | sing | 1.37Å | 1.29Å | Aromatic |
| CAH | CAI | doub | 1.34Å | 1.35Å | Aromatic |
| NAG | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| CAI | CAN | sing | 1.51Å | 1.46Å | |
| CAI | CAE | sing | 1.46Å | 1.41Å | Aromatic |
| CAF | NAC | doub | 1.32Å | 1.42Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.28Å | Aromatic |
| NAC | CAB | sing | 1.33Å | 1.38Å | Aromatic |
| NAK | CAJ | sing | 1.35Å | 1.36Å | |
| CAE | CAD | doub | 1.40Å | 1.36Å | Aromatic |
| CAB | CAJ | sing | 1.48Å | 1.42Å | |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | OAL | doub | 1.22Å | 1.27Å | |
| CAD | CAA | sing | 1.38Å | 1.46Å | Aromatic |
| CAD | CLAM | sing | 1.74Å | 1.77Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| NAK | H2 | sing | 0.97Å | 1.00Å | |
| NAK | H3 | sing | 0.97Å | 1.00Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| CAT | H14 | sing | 1.09Å | 1.10Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| NAS | H16 | sing | 1.01Å | 1.00Å | |
| CAU | H18 | sing | 1.09Å | 1.10Å | |
| CAU | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAT | NAS | 100.9° | 103.2° |
| CAT | CAR | CAQ | 107.8° | 103.0° |
| CAT | CAR | H12 | 109.9° | 110.7° |
| CAT | CAR | H13 | 109.9° | 110.9° |
| CAR | CAT | H14 | 111.6° | 110.7° |
| CAR | CAT | H15 | 111.6° | 110.6° |
| CAT | NAS | CAU | 108.5° | 105.9° |
| NAS | CAT | H14 | 111.6° | 110.7° |
| NAS | CAT | H15 | 111.6° | 110.7° |
| CAT | NAS | H16 | 109.7° | 111.0° |
| CAR | CAQ | FAV | 108.0° | 110.4° |
| CAR | CAQ | CAU | 103.9° | 105.1° |
| CAR | CAQ | CAO | 114.4° | 110.3° |
| CAQ | CAR | H12 | 109.9° | 110.7° |
| CAQ | CAR | H13 | 109.9° | 110.7° |
| FAV | CAQ | CAU | 109.2° | 110.3° |
| FAV | CAQ | CAO | 112.5° | 110.3° |
| NAS | CAU | CAQ | 103.2° | 107.1° |
| CAU | NAS | H16 | 109.7° | 111.0° |
| NAS | CAU | H18 | 111.0° | 109.9° |
| NAS | CAU | H19 | 111.0° | 110.0° |
| CAU | CAQ | CAO | 108.4° | 110.3° |
| CAQ | CAU | H18 | 111.0° | 109.9° |
| CAQ | CAU | H19 | 111.0° | 109.9° |
| CAQ | CAO | CAP | 108.6° | 109.5° |
| CAQ | CAO | NAG | 114.5° | 109.5° |
| CAQ | CAO | H8 | 107.9° | 109.5° |
| CAP | CAO | NAG | 110.1° | 109.5° |
| CAP | CAO | H8 | 106.6° | 109.5° |
| CAO | CAP | H9 | 109.5° | 109.5° |
| CAO | CAP | H10 | 109.5° | 109.5° |
| CAO | CAP | H11 | 109.5° | 109.5° |
| CAO | NAG | CAH | 126.2° | 125.0° |
| CAO | NAG | CAF | 121.8° | 125.0° |
| NAG | CAO | H8 | 108.8° | 109.4° |
| NAG | CAH | CAI | 102.3° | 110.0° |
| CAH | NAG | CAF | 112.0° | 110.1° |
| NAG | CAH | H7 | 128.9° | 125.1° |
| CAH | CAI | CAN | 120.2° | 126.5° |
| CAH | CAI | CAE | 114.1° | 106.9° |
| CAI | CAH | H7 | 128.8° | 125.0° |
| NAG | CAF | NAC | 124.3° | 133.1° |
| NAG | CAF | CAE | 108.7° | 106.9° |
| CAN | CAI | CAE | 125.7° | 126.5° |
| CAI | CAN | H4 | 109.5° | 109.5° |
| CAI | CAN | H5 | 109.5° | 109.5° |
| CAI | CAN | H6 | 109.4° | 109.5° |
| CAI | CAE | CAF | 102.9° | 106.2° |
| CAI | CAE | CAD | 138.5° | 134.2° |
| NAC | CAF | CAE | 126.9° | 120.0° |
| CAF | NAC | CAB | 117.5° | 121.6° |
| CAF | CAE | CAD | 118.5° | 119.6° |
| NAC | CAB | CAJ | 115.9° | 119.3° |
| NAC | CAB | CAA | 117.0° | 121.4° |
| NAK | CAJ | CAB | 118.0° | 120.1° |
| NAK | CAJ | OAL | 118.0° | 120.0° |
| CAJ | NAK | H2 | 120.0° | 120.0° |
| CAJ | NAK | H3 | 120.0° | 120.0° |
| CAE | CAD | CAA | 118.2° | 118.1° |
| CAE | CAD | CLAM | 124.7° | 121.0° |
| CAJ | CAB | CAA | 127.1° | 119.3° |
| CAB | CAJ | OAL | 123.7° | 119.9° |
| CAB | CAA | CAD | 121.8° | 119.3° |
| CAB | CAA | H1 | 119.1° | 120.4° |
| CAA | CAD | CLAM | 117.1° | 120.9° |
| CAD | CAA | H1 | 119.1° | 120.3° |
| H2 | NAK | H3 | 120.0° | 120.0° |
| H4 | CAN | H5 | 109.4° | 109.4° |
| H4 | CAN | H6 | 109.5° | 109.5° |
| H5 | CAN | H6 | 109.5° | 109.5° |
| H9 | CAP | H10 | 109.5° | 109.4° |
| H9 | CAP | H11 | 109.5° | 109.5° |
| H10 | CAP | H11 | 109.4° | 109.5° |
| H12 | CAR | H13 | 109.5° | 110.6° |
| H14 | CAT | H15 | 109.5° | 110.8° |
| H18 | CAU | H19 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAT | NAS | H14 | 118.6° | 118.4° |
| CAR | CAT | NAS | H15 | 118.6° | 118.4° |
| CAT | CAR | CAQ | H12 | 119.7° | 118.4° |
| CAT | CAR | CAQ | H13 | 119.8° | 118.6° |
| CAT | CAR | CAQ | FAV | 91.8° | 97.0° |
| CAR | CAT | NAS | CAU | 23.0° | 39.2° |
| CAT | CAR | CAQ | CAU | 24.1° | 22.0° |
| CAT | CAR | CAQ | CAO | 142.2° | 140.9° |
| CAT | CAR | H12 | H13 | 120.7° | 123.3° |
| CAR | CAT | H14 | H15 | 124.0° | 123.1° |
| CAR | CAT | NAS | H16 | 142.9° | 81.3° |
| NAS | CAT | CAR | CAQ | 1.4° | 37.4° |
| CAT | NAS | CAU | H16 | 119.9° | 120.5° |
| CAT | NAS | CAU | CAQ | 38.9° | 25.3° |
| NAS | CAT | CAR | H12 | 121.1° | 81.0° |
| NAS | CAT | CAR | H13 | 118.4° | 155.9° |
| NAS | CAT | H14 | H15 | 124.0° | 123.1° |
| CAT | NAS | CAU | H18 | 80.1° | 94.0° |
| CAT | NAS | CAU | H19 | 157.9° | 144.7° |
| CAR | CAQ | FAV | CAU | 112.4° | 115.8° |
| CAR | CAQ | FAV | CAO | 127.2° | 122.1° |
| CAR | CAQ | CAU | NAS | 38.1° | 1.2° |
| CAR | CAQ | CAU | CAO | 122.1° | 118.9° |
| CAR | CAQ | CAO | CAP | 65.9° | 62.8° |
| CAR | CAQ | CAO | NAG | 170.5° | 177.2° |
| CAR | CAQ | CAO | H8 | 49.2° | 57.2° |
| CAQ | CAR | H12 | H13 | 120.8° | 123.1° |
| CAQ | CAR | CAT | H14 | 120.0° | 155.8° |
| CAQ | CAR | CAT | H15 | 117.2° | 81.0° |
| CAR | CAQ | CAU | H18 | 80.9° | 118.1° |
| CAR | CAQ | CAU | H19 | 157.1° | 120.6° |
| FAV | CAQ | CAU | NAS | 77.0° | 120.2° |
| FAV | CAQ | CAU | CAO | 122.9° | 122.1° |
| FAV | CAQ | CAO | CAP | 57.8° | 59.3° |
| FAV | CAQ | CAO | NAG | 65.8° | 60.7° |
| FAV | CAQ | CAO | H8 | 172.9° | 179.4° |
| FAV | CAQ | CAR | H12 | 27.9° | 144.6° |
| FAV | CAQ | CAR | H13 | 148.5° | 21.5° |
| FAV | CAQ | CAU | H18 | 164.0° | 0.9° |
| FAV | CAQ | CAU | H19 | 42.0° | 120.4° |
| NAS | CAU | CAQ | H18 | 119.0° | 119.3° |
| NAS | CAU | CAQ | H19 | 119.0° | 119.4° |
| NAS | CAU | CAQ | CAO | 160.2° | 117.7° |
| CAU | NAS | CAT | H14 | 95.6° | 157.6° |
| CAU | NAS | CAT | H15 | 141.6° | 79.2° |
| NAS | CAU | H18 | H19 | 122.9° | 121.2° |
| CAU | CAQ | CAO | CAP | 178.6° | 178.5° |
| CAU | CAQ | CAO | NAG | 55.1° | 61.5° |
| CAU | CAQ | CAO | H8 | 66.3° | 58.5° |
| CAU | CAQ | CAR | H12 | 143.9° | 96.4° |
| CAU | CAQ | CAR | H13 | 95.6° | 140.5° |
| CAQ | CAU | NAS | H16 | 158.8° | 95.2° |
| CAQ | CAU | H18 | H19 | 122.9° | 121.2° |
| CAQ | CAO | CAP | NAG | 126.1° | 120.0° |
| CAQ | CAO | CAP | H8 | 116.0° | 120.0° |
| CAQ | CAO | NAG | H8 | 120.8° | 120.0° |
| CAQ | CAO | NAG | CAH | 70.1° | 60.0° |
| CAQ | CAO | NAG | CAF | 108.4° | 119.6° |
| CAQ | CAO | CAP | H9 | 180.0° | 60.0° |
| CAQ | CAO | CAP | H10 | 60.0° | 60.0° |
| CAQ | CAO | CAP | H11 | 60.0° | 180.0° |
| CAO | CAQ | CAR | H12 | 98.1° | 22.5° |
| CAO | CAQ | CAR | H13 | 22.4° | 100.5° |
| CAO | CAQ | CAU | H18 | 41.2° | 123.0° |
| CAO | CAQ | CAU | H19 | 80.8° | 1.7° |
| CAP | CAO | NAG | H8 | 116.5° | 120.0° |
| CAP | CAO | NAG | CAH | 52.6° | 60.1° |
| CAP | CAO | NAG | CAF | 128.9° | 120.4° |
| CAO | CAP | H9 | H10 | 120.0° | 120.0° |
| CAO | CAP | H9 | H11 | 120.0° | 120.0° |
| CAO | CAP | H10 | H11 | 120.0° | 120.0° |
| CAO | NAG | CAH | CAF | 178.6° | 179.6° |
| CAO | NAG | CAH | CAI | 179.1° | 180.0° |
| CAO | NAG | CAF | NAC | 1.8° | 0.3° |
| CAO | NAG | CAF | CAE | 178.0° | 180.0° |
| CAO | NAG | CAH | H7 | 0.8° | 0.4° |
| NAG | CAO | CAP | H9 | 53.9° | 60.0° |
| NAG | CAO | CAP | H10 | 66.2° | 180.0° |
| NAG | CAO | CAP | H11 | 173.9° | 60.0° |
| NAG | CAH | CAI | H7 | 180.0° | 179.6° |
| NAG | CAH | CAI | CAN | 179.2° | 179.8° |
| NAG | CAH | CAI | CAE | 1.5° | 0.2° |
| CAH | NAG | CAF | NAC | 176.9° | 179.9° |
| CAH | NAG | CAF | CAE | 0.7° | 0.4° |
| CAH | NAG | CAO | H8 | 169.1° | 180.0° |
| CAI | CAH | NAG | CAF | 0.5° | 0.4° |
| CAH | CAI | CAN | CAE | 179.3° | 180.0° |
| CAH | CAI | CAE | CAF | 1.9° | 0.0° |
| CAH | CAI | CAE | CAD | 178.8° | 179.4° |
| CAH | CAI | CAN | H4 | 90.3° | 90.0° |
| CAH | CAI | CAN | H5 | 149.7° | 30.0° |
| CAH | CAI | CAN | H6 | 29.7° | 150.0° |
| NAG | CAF | CAE | CAI | 1.4° | 0.2° |
| NAG | CAF | NAC | CAE | 175.6° | 179.7° |
| NAG | CAF | NAC | CAB | 179.9° | 180.0° |
| NAG | CAF | CAE | CAD | 179.1° | 179.7° |
| CAF | NAG | CAH | H7 | 179.5° | 180.0° |
| CAF | NAG | CAO | H8 | 12.4° | 0.4° |
| CAN | CAI | CAE | CAF | 178.8° | 180.0° |
| CAN | CAI | CAE | CAD | 1.9° | 0.7° |
| CAI | CAN | H4 | H5 | 120.0° | 120.0° |
| CAI | CAN | H4 | H6 | 120.0° | 120.0° |
| CAI | CAN | H5 | H6 | 120.0° | 120.1° |
| CAN | CAI | CAH | H7 | 0.8° | 0.1° |
| CAI | CAE | CAF | NAC | 177.6° | 180.0° |
| CAI | CAE | CAF | CAD | 177.7° | 179.5° |
| CAI | CAE | CAD | CAA | 178.7° | 179.8° |
| CAI | CAE | CAD | CLAM | 3.3° | 0.5° |
| CAE | CAI | CAN | H4 | 90.4° | 90.1° |
| CAE | CAI | CAN | H5 | 29.6° | 150.0° |
| CAE | CAI | CAN | H6 | 149.6° | 29.9° |
| CAE | CAI | CAH | H7 | 178.5° | 179.9° |
| NAC | CAF | CAE | CAD | 4.8° | 0.6° |
| CAF | NAC | CAB | CAJ | 179.0° | 180.0° |
| CAF | NAC | CAB | CAA | 1.1° | 0.0° |
| CAE | CAF | NAC | CAB | 4.3° | 0.3° |
| CAF | CAE | CAD | CAA | 2.1° | 0.5° |
| CAF | CAE | CAD | CLAM | 179.9° | 179.8° |
| NAC | CAB | CAJ | NAK | 10.3° | 0.0° |
| NAC | CAB | CAJ | CAA | 177.6° | 179.9° |
| NAC | CAB | CAJ | OAL | 175.7° | 179.9° |
| NAC | CAB | CAA | CAD | 1.0° | 0.0° |
| NAC | CAB | CAA | H1 | 179.0° | 180.0° |
| NAK | CAJ | CAB | OAL | 174.1° | 180.0° |
| NAK | CAJ | CAB | CAA | 167.3° | 180.0° |
| CAJ | NAK | H2 | H3 | 180.0° | 180.0° |
| CAE | CAD | CAA | CAB | 0.6° | 0.3° |
| CAE | CAD | CAA | CLAM | 178.2° | 179.7° |
| CAE | CAD | CAA | H1 | 179.4° | 179.7° |
| CAJ | CAB | CAA | CAD | 176.6° | 180.0° |
| CAJ | CAB | CAA | H1 | 3.4° | 0.1° |
| CAB | CAJ | NAK | H2 | 174.4° | 0.0° |
| CAB | CAJ | NAK | H3 | 5.6° | 180.0° |
| CAA | CAB | CAJ | OAL | 6.7° | 0.0° |
| CAB | CAA | CAD | H1 | 180.0° | 180.0° |
| CAB | CAA | CAD | CLAM | 177.6° | 180.0° |
| OAL | CAJ | NAK | H2 | 0.0° | 180.0° |
| OAL | CAJ | NAK | H3 | 180.0° | 0.1° |
| CLAM | CAD | CAA | H1 | 2.4° | 0.1° |
| H4 | CAN | H5 | H6 | 120.0° | 119.9° |
| H8 | CAO | CAP | H9 | 64.0° | 180.0° |
| H8 | CAO | CAP | H10 | 175.9° | 60.0° |
| H8 | CAO | CAP | H11 | 56.0° | 60.0° |
| H9 | CAP | H10 | H11 | 120.0° | 120.0° |
| H12 | CAR | CAT | H14 | 120.3° | 37.4° |
| H12 | CAR | CAT | H15 | 2.6° | 160.6° |
| H13 | CAR | CAT | H14 | 0.2° | 85.7° |
| H13 | CAR | CAT | H15 | 123.1° | 37.5° |
| H14 | CAT | NAS | H16 | 24.3° | 37.1° |
| H15 | CAT | NAS | H16 | 98.5° | 160.3° |
| H16 | NAS | CAU | H18 | 39.8° | 145.5° |
| H16 | NAS | CAU | H19 | 82.2° | 24.2° |
