8W2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAU | sing | 1.74Å | 1.71Å | |
| CAJ | CBA | sing | 1.46Å | 1.32Å | Aromatic |
| CAJ | CAV | doub | 1.34Å | 1.35Å | Aromatic |
| CAU | CBA | doub | 1.40Å | 1.31Å | Aromatic |
| CAU | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CBA | CAZ | sing | 1.41Å | 1.36Å | Aromatic |
| CAH | CAT | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | NAR | sing | 1.37Å | 1.35Å | Aromatic |
| CAV | CAN | sing | 1.51Å | 1.53Å | |
| CAT | CL2 | sing | 1.74Å | 1.61Å | |
| CAT | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAZ | NAR | sing | 1.38Å | 1.34Å | Aromatic |
| CAZ | CAI | doub | 1.39Å | 1.34Å | Aromatic |
| CAN | NAP | sing | 1.47Å | 1.50Å | |
| NAP | CAL | sing | 1.47Å | 1.50Å | |
| CAL | CAK | sing | 1.53Å | 1.54Å | |
| CAK | CAM | sing | 1.53Å | 1.55Å | |
| CAM | NAQ | sing | 1.46Å | 1.48Å | |
| NAQ | CAW | sing | 1.37Å | 1.33Å | |
| CAW | NAS | doub | 1.31Å | 1.34Å | |
| CAW | NAO | sing | 1.36Å | 1.40Å | |
| NAS | CAY | sing | 1.35Å | 1.34Å | |
| NAO | CAX | sing | 1.35Å | 1.40Å | |
| CAY | CAF | doub | 1.40Å | 1.38Å | Aromatic |
| CAY | CBB | sing | 1.41Å | 1.41Å | Aromatic |
| CAX | CBB | sing | 1.47Å | 1.40Å | |
| CAX | OAA | doub | 1.22Å | 1.24Å | |
| CAF | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CBB | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.08Å | 1.08Å | |
| NAR | H4 | sing | 0.97Å | 1.00Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| NAP | H7 | sing | 1.01Å | 1.00Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| NAQ | H15 | sing | 0.97Å | 1.00Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å | |
| CAD | H17 | sing | 1.08Å | 1.08Å | |
| CAE | H18 | sing | 1.08Å | 1.08Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| NAO | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAU | CBA | 118.6° | 120.2° |
| CL1 | CAU | CAH | 120.8° | 120.2° |
| CBA | CAJ | CAV | 106.3° | 107.0° |
| CAJ | CBA | CAU | 130.5° | 134.0° |
| CAJ | CBA | CAZ | 109.0° | 106.1° |
| CBA | CAJ | H1 | 126.9° | 126.5° |
| CAJ | CAV | NAR | 110.2° | 109.9° |
| CAJ | CAV | CAN | 124.7° | 125.1° |
| CAV | CAJ | H1 | 126.8° | 126.5° |
| CBA | CAU | CAH | 120.6° | 119.7° |
| CAU | CBA | CAZ | 120.5° | 119.9° |
| CAU | CAH | CAT | 118.4° | 120.4° |
| CAU | CAH | H2 | 120.8° | 119.8° |
| CBA | CAZ | NAR | 108.3° | 107.1° |
| CBA | CAZ | CAI | 121.8° | 119.5° |
| CAH | CAT | CL2 | 119.7° | 119.7° |
| CAH | CAT | CAI | 120.0° | 120.7° |
| CAT | CAH | H2 | 120.8° | 119.9° |
| NAR | CAV | CAN | 125.1° | 125.1° |
| CAV | NAR | CAZ | 106.2° | 109.9° |
| CAV | NAR | H4 | 126.9° | 125.0° |
| CAV | CAN | NAP | 111.5° | 109.4° |
| CAV | CAN | H5 | 108.9° | 109.5° |
| CAV | CAN | H6 | 109.0° | 109.5° |
| CL2 | CAT | CAI | 120.3° | 119.6° |
| CAT | CAI | CAZ | 118.7° | 119.9° |
| CAT | CAI | H3 | 120.6° | 120.0° |
| NAR | CAZ | CAI | 129.9° | 133.4° |
| CAZ | NAR | H4 | 126.9° | 125.0° |
| CAZ | CAI | H3 | 120.6° | 120.1° |
| CAN | NAP | CAL | 119.4° | 111.0° |
| NAP | CAN | H5 | 108.9° | 109.5° |
| NAP | CAN | H6 | 108.9° | 109.5° |
| CAN | NAP | H7 | 106.9° | 110.9° |
| NAP | CAL | CAK | 111.2° | 109.5° |
| CAL | NAP | H7 | 107.0° | 111.0° |
| NAP | CAL | H9 | 109.1° | 109.5° |
| NAP | CAL | H10 | 109.0° | 109.4° |
| CAL | CAK | CAM | 111.0° | 109.5° |
| CAK | CAL | H9 | 109.0° | 109.5° |
| CAK | CAL | H10 | 109.0° | 109.5° |
| CAL | CAK | H11 | 109.1° | 109.5° |
| CAL | CAK | H12 | 109.1° | 109.5° |
| CAK | CAM | NAQ | 114.5° | 109.5° |
| CAM | CAK | H11 | 109.1° | 109.4° |
| CAM | CAK | H12 | 109.1° | 109.5° |
| CAK | CAM | H13 | 108.2° | 109.5° |
| CAK | CAM | H14 | 108.2° | 109.5° |
| CAM | NAQ | CAW | 120.9° | 120.0° |
| NAQ | CAM | H13 | 108.2° | 109.4° |
| NAQ | CAM | H14 | 108.2° | 109.5° |
| CAM | NAQ | H15 | 119.5° | 120.0° |
| NAQ | CAW | NAS | 120.1° | 118.4° |
| NAQ | CAW | NAO | 118.9° | 118.5° |
| CAW | NAQ | H15 | 119.5° | 120.0° |
| NAS | CAW | NAO | 121.0° | 123.1° |
| CAW | NAS | CAY | 121.1° | 121.5° |
| CAW | NAO | CAX | 119.5° | 120.5° |
| CAW | NAO | H20 | 120.2° | 119.7° |
| NAS | CAY | CAF | 119.1° | 121.6° |
| NAS | CAY | CBB | 120.8° | 119.1° |
| NAO | CAX | CBB | 118.1° | 117.6° |
| NAO | CAX | OAA | 120.0° | 121.2° |
| CAX | NAO | H20 | 120.3° | 119.8° |
| CAF | CAY | CBB | 120.2° | 119.3° |
| CAY | CAF | CAD | 119.2° | 119.7° |
| CAY | CAF | H16 | 120.4° | 120.2° |
| CAY | CBB | CAX | 119.5° | 118.1° |
| CAY | CBB | CAG | 120.2° | 120.0° |
| CBB | CAX | OAA | 121.9° | 121.2° |
| CAX | CBB | CAG | 120.3° | 121.8° |
| CAF | CAD | CAE | 121.2° | 120.8° |
| CAD | CAF | H16 | 120.4° | 120.1° |
| CAF | CAD | H17 | 119.4° | 119.6° |
| CBB | CAG | CAE | 119.1° | 119.6° |
| CBB | CAG | H19 | 120.5° | 120.2° |
| CAD | CAE | CAG | 120.1° | 120.6° |
| CAE | CAD | H17 | 119.4° | 119.6° |
| CAD | CAE | H18 | 120.0° | 119.6° |
| CAG | CAE | H18 | 119.9° | 119.8° |
| CAE | CAG | H19 | 120.4° | 120.2° |
| H5 | CAN | H6 | 109.5° | 109.5° |
| H9 | CAL | H10 | 109.5° | 109.4° |
| H11 | CAK | H12 | 109.4° | 109.5° |
| H13 | CAM | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAU | CBA | CAJ | 1.3° | 0.0° |
| CL1 | CAU | CBA | CAH | 179.5° | 180.0° |
| CL1 | CAU | CBA | CAZ | 178.9° | 180.0° |
| CL1 | CAU | CAH | CAT | 179.8° | 180.0° |
| CL1 | CAU | CAH | H2 | 0.2° | 0.0° |
| CBA | CAJ | CAV | H1 | 180.0° | 179.7° |
| CAJ | CBA | CAU | CAZ | 179.8° | 180.0° |
| CAJ | CBA | CAU | CAH | 179.2° | 180.0° |
| CBA | CAJ | CAV | NAR | 1.3° | 0.0° |
| CBA | CAJ | CAV | CAN | 177.2° | 179.9° |
| CAJ | CBA | CAZ | NAR | 0.2° | 0.0° |
| CAJ | CBA | CAZ | CAI | 179.2° | 180.0° |
| CAV | CAJ | CBA | CAU | 179.4° | 180.0° |
| CAV | CAJ | CBA | CAZ | 0.7° | 0.0° |
| CAJ | CAV | NAR | CAN | 178.5° | 179.9° |
| CAJ | CAV | NAR | CAZ | 1.4° | 0.0° |
| CAJ | CAV | CAN | NAP | 133.4° | 95.1° |
| CAJ | CAV | NAR | H4 | 178.6° | 180.0° |
| CAJ | CAV | CAN | H5 | 13.1° | 145.0° |
| CAJ | CAV | CAN | H6 | 106.3° | 24.9° |
| CBA | CAU | CAH | CAT | 0.4° | 0.0° |
| CAU | CBA | CAZ | NAR | 179.7° | 180.0° |
| CAU | CBA | CAZ | CAI | 0.7° | 0.0° |
| CAU | CBA | CAJ | H1 | 0.5° | 0.3° |
| CBA | CAU | CAH | H2 | 179.6° | 180.0° |
| CAH | CAU | CBA | CAZ | 0.6° | 0.0° |
| CAU | CAH | CAT | H2 | 180.0° | 180.0° |
| CAU | CAH | CAT | CL2 | 179.9° | 179.9° |
| CAU | CAH | CAT | CAI | 1.3° | 0.0° |
| CBA | CAZ | NAR | CAV | 0.9° | 0.0° |
| CBA | CAZ | CAI | CAT | 0.2° | 0.0° |
| CBA | CAZ | NAR | CAI | 178.9° | 180.0° |
| CAZ | CBA | CAJ | H1 | 179.3° | 179.7° |
| CBA | CAZ | CAI | H3 | 179.8° | 180.0° |
| CBA | CAZ | NAR | H4 | 179.1° | 180.0° |
| CAH | CAT | CL2 | CAI | 178.6° | 180.0° |
| CAH | CAT | CAI | CAZ | 1.2° | 0.0° |
| CAH | CAT | CAI | H3 | 178.8° | 179.9° |
| CAV | NAR | CAZ | H4 | 180.0° | 180.0° |
| CAV | NAR | CAZ | CAI | 179.9° | 180.0° |
| NAR | CAV | CAN | NAP | 44.9° | 85.0° |
| NAR | CAV | CAJ | H1 | 178.7° | 179.7° |
| NAR | CAV | CAN | H5 | 165.2° | 34.9° |
| NAR | CAV | CAN | H6 | 75.4° | 155.0° |
| CAN | CAV | NAR | CAZ | 177.1° | 180.0° |
| CAV | CAN | NAP | H5 | 120.3° | 120.0° |
| CAV | CAN | NAP | H6 | 120.3° | 120.0° |
| CAV | CAN | NAP | CAL | 67.6° | 180.0° |
| CAN | CAV | CAJ | H1 | 2.8° | 0.2° |
| CAN | CAV | NAR | H4 | 2.9° | 0.0° |
| CAV | CAN | H5 | H6 | 119.1° | 120.0° |
| CAV | CAN | NAP | H7 | 171.0° | 56.1° |
| CL2 | CAT | CAI | CAZ | 179.8° | 180.0° |
| CL2 | CAT | CAH | H2 | 0.2° | 0.0° |
| CL2 | CAT | CAI | H3 | 0.2° | 0.1° |
| CAT | CAI | CAZ | NAR | 178.6° | 180.0° |
| CAT | CAI | CAZ | H3 | 180.0° | 180.0° |
| CAI | CAT | CAH | H2 | 178.8° | 180.0° |
| NAR | CAZ | CAI | H3 | 1.4° | 0.0° |
| CAI | CAZ | NAR | H4 | 0.1° | 0.0° |
| CAN | NAP | CAL | H7 | 121.4° | 123.9° |
| CAN | NAP | CAL | CAK | 66.7° | 180.0° |
| NAP | CAN | H5 | H6 | 119.0° | 120.0° |
| CAN | NAP | CAL | H9 | 173.1° | 60.0° |
| CAN | NAP | CAL | H10 | 53.6° | 60.0° |
| NAP | CAL | CAK | H9 | 120.3° | 120.0° |
| NAP | CAL | CAK | H10 | 120.2° | 120.0° |
| NAP | CAL | CAK | CAM | 167.3° | 180.0° |
| CAL | NAP | CAN | H5 | 52.7° | 60.0° |
| CAL | NAP | CAN | H6 | 172.1° | 60.0° |
| NAP | CAL | H9 | H10 | 119.2° | 119.9° |
| NAP | CAL | CAK | H11 | 72.4° | 60.0° |
| NAP | CAL | CAK | H12 | 47.1° | 60.0° |
| CAL | CAK | CAM | H11 | 120.2° | 120.0° |
| CAL | CAK | CAM | H12 | 120.3° | 120.0° |
| CAL | CAK | CAM | NAQ | 61.6° | 180.0° |
| CAK | CAL | NAP | H7 | 54.8° | 56.1° |
| CAK | CAL | H9 | H10 | 119.2° | 120.1° |
| CAL | CAK | H11 | H12 | 119.3° | 120.1° |
| CAL | CAK | CAM | H13 | 177.7° | 60.0° |
| CAL | CAK | CAM | H14 | 59.2° | 59.9° |
| CAK | CAM | NAQ | H13 | 120.8° | 120.0° |
| CAK | CAM | NAQ | H14 | 120.8° | 120.1° |
| CAK | CAM | NAQ | CAW | 127.7° | 180.0° |
| CAM | CAK | CAL | H9 | 47.0° | 60.0° |
| CAM | CAK | CAL | H10 | 72.4° | 60.0° |
| CAM | CAK | H11 | H12 | 119.3° | 120.0° |
| CAK | CAM | H13 | H14 | 117.7° | 120.0° |
| CAK | CAM | NAQ | H15 | 52.3° | 0.1° |
| CAM | NAQ | CAW | H15 | 180.0° | 179.9° |
| CAM | NAQ | CAW | NAS | 169.1° | 0.1° |
| CAM | NAQ | CAW | NAO | 9.4° | 179.7° |
| NAQ | CAM | CAK | H11 | 58.7° | 60.0° |
| NAQ | CAM | CAK | H12 | 178.2° | 60.0° |
| NAQ | CAM | H13 | H14 | 117.7° | 120.0° |
| NAQ | CAW | NAS | NAO | 178.5° | 179.8° |
| NAQ | CAW | NAS | CAY | 179.5° | 180.0° |
| NAQ | CAW | NAO | CAX | 178.5° | 179.7° |
| CAW | NAQ | CAM | H13 | 6.9° | 60.0° |
| CAW | NAQ | CAM | H14 | 111.6° | 59.9° |
| NAQ | CAW | NAO | H20 | 1.5° | 0.1° |
| NAS | CAW | NAO | CAX | 0.1° | 0.5° |
| CAW | NAS | CAY | CAF | 179.5° | 180.0° |
| CAW | NAS | CAY | CBB | 1.6° | 0.0° |
| NAS | CAW | NAQ | H15 | 10.9° | 180.0° |
| NAS | CAW | NAO | H20 | 179.9° | 179.7° |
| NAO | CAW | NAS | CAY | 1.0° | 0.2° |
| CAW | NAO | CAX | H20 | 180.0° | 179.8° |
| CAW | NAO | CAX | CBB | 0.6° | 0.5° |
| CAW | NAO | CAX | OAA | 179.6° | 179.8° |
| NAO | CAW | NAQ | H15 | 170.6° | 0.2° |
| NAS | CAY | CAF | CBB | 179.0° | 180.0° |
| NAS | CAY | CBB | CAX | 1.0° | 0.0° |
| NAS | CAY | CAF | CAD | 178.9° | 180.0° |
| NAS | CAY | CBB | CAG | 178.8° | 180.0° |
| NAS | CAY | CAF | H16 | 1.1° | 0.0° |
| NAO | CAX | CBB | CAY | 0.1° | 0.3° |
| NAO | CAX | CBB | OAA | 179.8° | 179.7° |
| NAO | CAX | CBB | CAG | 179.8° | 179.8° |
| CAF | CAY | CBB | CAX | 180.0° | 180.0° |
| CAY | CAF | CAD | H16 | 180.0° | 180.0° |
| CAF | CAY | CBB | CAG | 0.2° | 0.0° |
| CAY | CAF | CAD | CAE | 0.1° | 0.0° |
| CAY | CAF | CAD | H17 | 179.9° | 180.0° |
| CAY | CBB | CAX | CAG | 179.8° | 180.0° |
| CAY | CBB | CAX | OAA | 179.9° | 180.0° |
| CBB | CAY | CAF | CAD | 0.1° | 0.0° |
| CAY | CBB | CAG | CAE | 0.3° | 0.0° |
| CBB | CAY | CAF | H16 | 179.9° | 180.0° |
| CAY | CBB | CAG | H19 | 179.7° | 180.0° |
| CAX | CBB | CAG | CAE | 180.0° | 180.0° |
| CAX | CBB | CAG | H19 | 0.0° | 0.1° |
| CBB | CAX | NAO | H20 | 179.4° | 179.7° |
| OAA | CAX | CBB | CAG | 0.4° | 0.1° |
| OAA | CAX | NAO | H20 | 0.4° | 0.0° |
| CAF | CAD | CAE | H17 | 180.0° | 179.9° |
| CAF | CAD | CAE | CAG | 0.1° | 0.0° |
| CAF | CAD | CAE | H18 | 179.9° | 180.0° |
| CBB | CAG | CAE | CAD | 0.2° | 0.0° |
| CBB | CAG | CAE | H19 | 180.0° | 179.9° |
| CBB | CAG | CAE | H18 | 179.8° | 180.0° |
| CAD | CAE | CAG | H18 | 180.0° | 180.0° |
| CAE | CAD | CAF | H16 | 179.9° | 179.9° |
| CAD | CAE | CAG | H19 | 179.8° | 179.9° |
| CAG | CAE | CAD | H17 | 179.9° | 180.0° |
| H5 | CAN | NAP | H7 | 68.8° | 176.0° |
| H6 | CAN | NAP | H7 | 50.6° | 63.9° |
| H7 | NAP | CAL | H9 | 65.5° | 176.1° |
| H7 | NAP | CAL | H10 | 175.0° | 63.9° |
| H9 | CAL | CAK | H11 | 167.3° | 180.0° |
| H9 | CAL | CAK | H12 | 73.2° | 60.0° |
| H10 | CAL | CAK | H11 | 47.8° | 59.9° |
| H10 | CAL | CAK | H12 | 167.3° | 180.0° |
| H11 | CAK | CAM | H13 | 62.1° | 180.0° |
| H11 | CAK | CAM | H14 | 179.4° | 60.0° |
| H12 | CAK | CAM | H13 | 57.4° | 60.0° |
| H12 | CAK | CAM | H14 | 61.1° | 180.0° |
| H13 | CAM | NAQ | H15 | 173.1° | 120.1° |
| H14 | CAM | NAQ | H15 | 68.4° | 120.0° |
| H16 | CAF | CAD | H17 | 0.1° | 0.0° |
| H17 | CAD | CAE | H18 | 0.1° | 0.1° |
| H18 | CAE | CAG | H19 | 0.2° | 0.1° |
