W88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAY | doub | 1.22Å | 1.23Å | |
| CAY | NAQ | sing | 1.34Å | 1.37Å | |
| CAY | NAR | sing | 1.34Å | 1.37Å | |
| NAQ | CAX | sing | 1.38Å | 1.42Å | |
| NAR | CAZ | sing | 1.35Å | 1.39Å | |
| OAB | CAT | doub | 1.21Å | 1.22Å | |
| OAF | CAT | sing | 1.35Å | 1.29Å | |
| CAX | CAT | sing | 1.48Å | 1.46Å | |
| CAX | CAW | doub | 1.36Å | 1.37Å | |
| CAZ | CAW | sing | 1.47Å | 1.41Å | |
| CAZ | OAD | doub | 1.22Å | 1.25Å | |
| CAW | CAP | sing | 1.51Å | 1.44Å | |
| CAP | CAN | sing | 1.53Å | 1.56Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.56Å | |
| CAG | CAI | doub | 1.36Å | 1.39Å | Aromatic |
| CAG | CAU | sing | 1.39Å | 1.36Å | Aromatic |
| CAI | CBB | sing | 1.41Å | 1.37Å | Aromatic |
| CAO | CAU | sing | 1.51Å | 1.42Å | |
| CAU | CAK | doub | 1.36Å | 1.38Å | Aromatic |
| CBB | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CBB | CBA | sing | 1.42Å | 1.39Å | Aromatic |
| CAL | CAV | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | CBA | sing | 1.40Å | 1.39Å | Aromatic |
| CBA | CAJ | doub | 1.41Å | 1.39Å | Aromatic |
| OAA | CAS | doub | 1.22Å | 1.26Å | |
| CAV | CAS | sing | 1.48Å | 1.36Å | |
| CAV | CAH | doub | 1.41Å | 1.38Å | Aromatic |
| CAS | OAE | sing | 1.35Å | 1.25Å | |
| CAJ | CAH | sing | 1.36Å | 1.37Å | Aromatic |
| OAF | H1 | sing | 0.97Å | 0.95Å | |
| NAR | H2 | sing | 0.97Å | 1.00Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| OAE | H15 | sing | 0.97Å | 0.95Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAG | H18 | sing | 1.08Å | 1.08Å | |
| NAQ | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAY | NAQ | 121.3° | 119.1° |
| OAC | CAY | NAR | 121.7° | 119.2° |
| NAQ | CAY | NAR | 116.8° | 121.8° |
| CAY | NAQ | CAX | 121.9° | 121.2° |
| CAY | NAQ | H19 | 119.1° | 119.4° |
| CAY | NAR | CAZ | 124.3° | 120.4° |
| CAY | NAR | H2 | 117.8° | 119.8° |
| NAQ | CAX | CAT | 115.7° | 120.3° |
| NAQ | CAX | CAW | 119.5° | 119.4° |
| CAX | NAQ | H19 | 119.0° | 119.4° |
| NAR | CAZ | CAW | 117.7° | 118.9° |
| NAR | CAZ | OAD | 118.2° | 120.6° |
| CAZ | NAR | H2 | 117.9° | 119.8° |
| OAB | CAT | OAF | 124.0° | 120.1° |
| OAB | CAT | CAX | 120.9° | 120.0° |
| OAF | CAT | CAX | 114.9° | 120.0° |
| CAT | OAF | H1 | 109.5° | 117.0° |
| CAT | CAX | CAW | 124.6° | 120.3° |
| CAX | CAW | CAZ | 119.8° | 118.3° |
| CAX | CAW | CAP | 122.6° | 120.8° |
| CAW | CAZ | OAD | 123.9° | 120.6° |
| CAZ | CAW | CAP | 117.7° | 120.8° |
| CAW | CAP | CAN | 114.0° | 109.5° |
| CAW | CAP | H4 | 108.3° | 109.4° |
| CAW | CAP | H5 | 108.3° | 109.5° |
| CAP | CAN | CAM | 107.2° | 109.5° |
| CAN | CAP | H4 | 108.3° | 109.5° |
| CAN | CAP | H5 | 108.3° | 109.5° |
| CAP | CAN | H6 | 110.0° | 109.4° |
| CAP | CAN | H7 | 110.0° | 109.4° |
| CAN | CAM | CAO | 111.5° | 109.5° |
| CAM | CAN | H6 | 110.1° | 109.5° |
| CAM | CAN | H7 | 110.1° | 109.5° |
| CAN | CAM | H8 | 109.0° | 109.4° |
| CAN | CAM | H9 | 109.0° | 109.5° |
| CAM | CAO | CAU | 111.2° | 109.5° |
| CAO | CAM | H8 | 108.9° | 109.5° |
| CAO | CAM | H9 | 108.9° | 109.5° |
| CAM | CAO | H10 | 109.0° | 109.4° |
| CAM | CAO | H11 | 109.1° | 109.5° |
| CAI | CAG | CAU | 120.7° | 121.0° |
| CAG | CAI | CBB | 123.2° | 119.6° |
| CAG | CAI | H17 | 118.4° | 120.2° |
| CAI | CAG | H18 | 119.6° | 119.5° |
| CAG | CAU | CAO | 121.6° | 119.5° |
| CAG | CAU | CAK | 117.0° | 121.0° |
| CAU | CAG | H18 | 119.7° | 119.5° |
| CAI | CBB | CAL | 123.1° | 121.1° |
| CAI | CBB | CBA | 116.1° | 119.4° |
| CBB | CAI | H17 | 118.4° | 120.2° |
| CAO | CAU | CAK | 121.3° | 119.4° |
| CAU | CAO | H10 | 109.0° | 109.5° |
| CAU | CAO | H11 | 109.0° | 109.4° |
| CAU | CAK | CBA | 122.5° | 119.7° |
| CAU | CAK | H12 | 118.7° | 120.2° |
| CAL | CBB | CBA | 120.8° | 119.6° |
| CBB | CAL | CAV | 117.0° | 119.4° |
| CBB | CAL | H16 | 121.5° | 120.3° |
| CBB | CBA | CAK | 120.4° | 119.3° |
| CBB | CBA | CAJ | 120.7° | 119.7° |
| CAL | CAV | CAS | 122.6° | 119.8° |
| CAL | CAV | CAH | 122.1° | 120.5° |
| CAV | CAL | H16 | 121.5° | 120.3° |
| CAK | CBA | CAJ | 118.9° | 121.0° |
| CBA | CAK | H12 | 118.7° | 120.2° |
| CBA | CAJ | CAH | 119.7° | 120.0° |
| CBA | CAJ | H13 | 120.2° | 119.9° |
| OAA | CAS | CAV | 115.7° | 120.0° |
| OAA | CAS | OAE | 123.3° | 120.0° |
| CAS | CAV | CAH | 115.0° | 119.7° |
| CAV | CAS | OAE | 120.6° | 120.0° |
| CAV | CAH | CAJ | 119.6° | 120.8° |
| CAV | CAH | H14 | 120.2° | 119.6° |
| CAS | OAE | H15 | 109.5° | 117.0° |
| CAH | CAJ | H13 | 120.1° | 120.0° |
| CAJ | CAH | H14 | 120.2° | 119.6° |
| H4 | CAP | H5 | 109.4° | 109.5° |
| H6 | CAN | H7 | 109.5° | 109.5° |
| H8 | CAM | H9 | 109.4° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAY | NAQ | NAR | 175.4° | 179.9° |
| OAC | CAY | NAQ | CAX | 177.8° | 180.0° |
| OAC | CAY | NAR | CAZ | 179.0° | 180.0° |
| OAC | CAY | NAR | H2 | 1.0° | 0.0° |
| OAC | CAY | NAQ | H19 | 2.3° | 0.1° |
| CAY | NAQ | CAX | H19 | 180.0° | 179.9° |
| NAQ | CAY | NAR | CAZ | 3.6° | 0.0° |
| CAY | NAQ | CAX | CAT | 176.8° | 180.0° |
| CAY | NAQ | CAX | CAW | 1.3° | 0.3° |
| NAQ | CAY | NAR | H2 | 176.4° | 179.9° |
| NAR | CAY | NAQ | CAX | 2.3° | 0.1° |
| CAY | NAR | CAZ | H2 | 180.0° | 180.0° |
| CAY | NAR | CAZ | CAW | 3.7° | 0.2° |
| CAY | NAR | CAZ | OAD | 178.9° | 180.0° |
| NAR | CAY | NAQ | H19 | 177.7° | 180.0° |
| NAQ | CAX | CAT | OAB | 130.5° | 174.0° |
| NAQ | CAX | CAT | OAF | 44.8° | 6.3° |
| NAQ | CAX | CAT | CAW | 175.3° | 179.7° |
| NAQ | CAX | CAW | CAZ | 1.2° | 0.4° |
| NAQ | CAX | CAW | CAP | 179.7° | 179.7° |
| NAR | CAZ | CAW | CAX | 2.3° | 0.4° |
| NAR | CAZ | CAW | OAD | 175.0° | 179.8° |
| NAR | CAZ | CAW | CAP | 178.6° | 179.7° |
| OAB | CAT | OAF | CAX | 175.2° | 179.7° |
| OAB | CAT | CAX | CAW | 54.2° | 6.3° |
| OAB | CAT | OAF | H1 | 0.0° | 0.0° |
| OAF | CAT | CAX | CAW | 130.5° | 173.4° |
| CAT | CAX | CAW | CAZ | 176.4° | 179.8° |
| CAT | CAX | CAW | CAP | 4.6° | 0.0° |
| CAX | CAT | OAF | H1 | 175.2° | 179.7° |
| CAT | CAX | NAQ | H19 | 3.2° | 0.1° |
| CAX | CAW | CAZ | CAP | 179.1° | 179.9° |
| CAX | CAW | CAZ | OAD | 177.3° | 179.8° |
| CAX | CAW | CAP | CAN | 104.6° | 91.4° |
| CAX | CAW | CAP | H4 | 16.1° | 148.6° |
| CAX | CAW | CAP | H5 | 134.7° | 28.6° |
| CAW | CAX | NAQ | H19 | 178.8° | 179.8° |
| CAZ | CAW | CAP | CAN | 76.3° | 88.4° |
| CAW | CAZ | NAR | H2 | 176.3° | 179.8° |
| CAZ | CAW | CAP | H4 | 163.0° | 31.6° |
| CAZ | CAW | CAP | H5 | 44.4° | 151.6° |
| OAD | CAZ | CAW | CAP | 3.6° | 0.1° |
| OAD | CAZ | NAR | H2 | 1.1° | 0.0° |
| CAW | CAP | CAN | H4 | 120.7° | 120.0° |
| CAW | CAP | CAN | H5 | 120.7° | 120.0° |
| CAW | CAP | CAN | CAM | 67.5° | 180.0° |
| CAW | CAP | H4 | H5 | 117.9° | 120.0° |
| CAW | CAP | CAN | H6 | 172.8° | 60.0° |
| CAW | CAP | CAN | H7 | 52.2° | 60.0° |
| CAP | CAN | CAM | H6 | 119.6° | 120.0° |
| CAP | CAN | CAM | H7 | 119.6° | 120.0° |
| CAP | CAN | CAM | CAO | 176.1° | NaN° |
| CAN | CAP | H4 | H5 | 117.9° | 120.0° |
| CAP | CAN | H6 | H7 | 121.0° | 119.9° |
| CAP | CAN | CAM | H8 | 63.6° | 60.0° |
| CAP | CAN | CAM | H9 | 55.8° | 60.0° |
| CAN | CAM | CAO | H8 | 120.3° | 119.9° |
| CAN | CAM | CAO | H9 | 120.3° | 120.0° |
| CAN | CAM | CAO | CAU | 146.1° | 179.9° |
| CAM | CAN | CAP | H4 | 53.2° | 60.1° |
| CAM | CAN | CAP | H5 | 171.8° | 60.0° |
| CAM | CAN | H6 | H7 | 121.1° | 120.1° |
| CAN | CAM | H8 | H9 | 119.1° | 120.0° |
| CAN | CAM | CAO | H10 | 25.9° | 60.0° |
| CAN | CAM | CAO | H11 | 93.6° | 60.0° |
| CAM | CAO | CAU | CAG | 50.2° | 90.3° |
| CAM | CAO | CAU | H10 | 120.3° | 120.0° |
| CAM | CAO | CAU | H11 | 120.3° | 120.0° |
| CAM | CAO | CAU | CAK | 131.7° | 90.0° |
| CAO | CAM | CAN | H6 | 56.5° | 60.0° |
| CAO | CAM | CAN | H7 | 64.3° | 60.0° |
| CAO | CAM | H8 | H9 | 119.0° | 120.0° |
| CAM | CAO | H10 | H11 | 119.2° | 120.0° |
| CAI | CAG | CAU | H18 | 180.0° | 179.5° |
| CAG | CAI | CBB | H17 | 180.0° | 179.7° |
| CAI | CAG | CAU | CAO | 179.4° | 179.8° |
| CAI | CAG | CAU | CAK | 2.4° | 0.6° |
| CAG | CAI | CBB | CAL | 178.6° | 179.7° |
| CAG | CAI | CBB | CBA | 0.4° | 0.3° |
| CAU | CAG | CAI | CBB | 1.7° | 0.5° |
| CAG | CAU | CAO | CAK | 178.1° | 179.7° |
| CAG | CAU | CAK | CBA | 1.0° | 0.3° |
| CAG | CAU | CAO | H10 | 170.5° | 149.7° |
| CAG | CAU | CAO | H11 | 70.1° | 29.7° |
| CAG | CAU | CAK | H12 | 178.9° | 179.8° |
| CAU | CAG | CAI | H17 | 178.2° | 179.7° |
| CAI | CBB | CAL | CBA | 178.1° | 180.0° |
| CAI | CBB | CAL | CAV | 177.8° | 180.0° |
| CAI | CBB | CBA | CAK | 1.8° | 0.1° |
| CAI | CBB | CBA | CAJ | 178.6° | 180.0° |
| CAI | CBB | CAL | H16 | 2.2° | 0.0° |
| CBB | CAI | CAG | H18 | 178.2° | 180.0° |
| CAO | CAU | CAK | CBA | 179.2° | 180.0° |
| CAU | CAO | CAM | H8 | 93.5° | 60.0° |
| CAU | CAO | CAM | H9 | 25.8° | 60.0° |
| CAU | CAO | H10 | H11 | 119.2° | 120.0° |
| CAO | CAU | CAK | H12 | 0.8° | 0.1° |
| CAO | CAU | CAG | H18 | 0.6° | 0.2° |
| CAU | CAK | CBA | CBB | 1.1° | 0.1° |
| CAU | CAK | CBA | H12 | 180.0° | 179.9° |
| CAU | CAK | CBA | CAJ | 179.3° | 180.0° |
| CAK | CAU | CAO | H10 | 11.4° | 30.0° |
| CAK | CAU | CAO | H11 | 108.0° | 150.0° |
| CAK | CAU | CAG | H18 | 177.6° | 179.9° |
| CBB | CAL | CAV | H16 | 180.0° | 180.0° |
| CAL | CBB | CBA | CAK | 180.0° | 179.9° |
| CAL | CBB | CBA | CAJ | 0.4° | 0.0° |
| CBB | CAL | CAV | CAS | 175.3° | 180.0° |
| CBB | CAL | CAV | CAH | 2.1° | 0.0° |
| CAL | CBB | CAI | H17 | 1.4° | 0.0° |
| CBA | CBB | CAL | CAV | 0.3° | 0.0° |
| CBB | CBA | CAK | CAJ | 179.6° | 179.9° |
| CBB | CBA | CAJ | CAH | 0.6° | 0.1° |
| CBB | CBA | CAK | H12 | 178.9° | 180.0° |
| CBB | CBA | CAJ | H13 | 179.4° | 180.0° |
| CBA | CBB | CAL | H16 | 179.7° | 180.0° |
| CBA | CBB | CAI | H17 | 179.6° | 180.0° |
| CAL | CAV | CAS | OAA | 65.0° | 0.1° |
| CAL | CAV | CAS | CAH | 173.7° | 179.9° |
| CAL | CAV | CAS | OAE | 121.0° | 179.9° |
| CAL | CAV | CAH | CAJ | 3.1° | 0.0° |
| CAL | CAV | CAH | H14 | 176.9° | 179.9° |
| CAK | CBA | CAJ | CAH | 179.0° | 180.0° |
| CAK | CBA | CAJ | H13 | 1.0° | 0.1° |
| CBA | CAJ | CAH | CAV | 2.3° | 0.1° |
| CBA | CAJ | CAH | H13 | 180.0° | 180.0° |
| CAJ | CBA | CAK | H12 | 0.7° | 0.1° |
| CBA | CAJ | CAH | H14 | 177.7° | 180.0° |
| OAA | CAS | CAV | OAE | 174.0° | 179.9° |
| OAA | CAS | CAV | CAH | 108.7° | 180.0° |
| OAA | CAS | OAE | H15 | 0.0° | 0.1° |
| CAS | CAV | CAH | CAJ | 176.8° | 180.0° |
| CAS | CAV | CAH | H14 | 3.2° | 0.1° |
| CAV | CAS | OAE | H15 | 173.5° | 180.0° |
| CAS | CAV | CAL | H16 | 4.7° | 0.1° |
| CAH | CAV | CAS | OAE | 65.3° | 0.1° |
| CAV | CAH | CAJ | H14 | 180.0° | 179.9° |
| CAV | CAH | CAJ | H13 | 177.7° | 180.0° |
| CAH | CAV | CAL | H16 | 177.9° | 180.0° |
| H4 | CAP | CAN | H6 | 66.5° | 180.0° |
| H4 | CAP | CAN | H7 | 172.8° | 60.0° |
| H5 | CAP | CAN | H6 | 52.2° | 60.0° |
| H5 | CAP | CAN | H7 | 68.5° | 180.0° |
| H6 | CAN | CAM | H8 | 176.8° | 180.0° |
| H6 | CAN | CAM | H9 | 63.9° | 60.0° |
| H7 | CAN | CAM | H8 | 56.0° | 60.0° |
| H7 | CAN | CAM | H9 | 175.4° | 180.0° |
| H8 | CAM | CAO | H10 | 146.2° | 180.0° |
| H8 | CAM | CAO | H11 | 26.7° | 60.0° |
| H9 | CAM | CAO | H10 | 94.5° | 60.0° |
| H9 | CAM | CAO | H11 | 146.1° | 180.0° |
| H13 | CAJ | CAH | H14 | 2.3° | 0.1° |
| H17 | CAI | CAG | H18 | 1.8° | 0.2° |
