0BW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | OAS | sing | 1.43Å | 1.44Å | |
| CAA | OAR | sing | 1.45Å | 1.45Å | |
| OAE | CAU | doub | 1.22Å | 1.24Å | |
| OAS | CAV | sing | 1.36Å | 1.37Å | |
| CAU | OAR | sing | 1.35Å | 1.36Å | |
| CAU | CAX | sing | 1.47Å | 1.41Å | |
| CAV | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAW | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| NAQ | CAY | sing | 1.40Å | 1.35Å | |
| NAQ | CAT | sing | 1.35Å | 1.35Å | |
| CAY | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
| CAW | CAT | sing | 1.48Å | 1.41Å | |
| CAW | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | OAD | doub | 1.22Å | 1.24Å | |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | NBB | sing | 1.39Å | 1.36Å | |
| NBB | CAO | sing | 1.47Å | 1.49Å | |
| NBB | CAP | sing | 1.47Å | 1.49Å | |
| CAO | CAM | sing | 1.53Å | 1.54Å | |
| CAP | CAN | sing | 1.53Å | 1.52Å | |
| CAM | NBA | sing | 1.47Å | 1.48Å | |
| CAN | NBA | sing | 1.47Å | 1.47Å | |
| NBA | CAC | sing | 1.47Å | 1.47Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| NAQ | H19 | sing | 0.97Å | 1.00Å | |
| CAK | H20 | sing | 1.08Å | 1.08Å | |
| CAH | H21 | sing | 1.08Å | 1.08Å | |
| CAF | H22 | sing | 1.08Å | 1.08Å | |
| CAG | H23 | sing | 1.08Å | 1.08Å | |
| CAB | H24 | sing | 1.09Å | 1.10Å | |
| CAB | H25 | sing | 1.09Å | 1.10Å | |
| CAB | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | OAS | CAV | 118.0° | 117.0° |
| OAS | CAB | H24 | 109.5° | 109.5° |
| OAS | CAB | H25 | 109.5° | 109.4° |
| OAS | CAB | H26 | 109.4° | 109.5° |
| CAA | OAR | CAU | 112.7° | 117.1° |
| OAR | CAA | H15 | 109.5° | 109.5° |
| OAR | CAA | H16 | 109.5° | 109.4° |
| OAR | CAA | H17 | 109.5° | 109.5° |
| OAE | CAU | OAR | 123.1° | 120.0° |
| OAE | CAU | CAX | 121.4° | 120.0° |
| OAS | CAV | CAK | 123.7° | 120.0° |
| OAS | CAV | CAG | 116.6° | 120.0° |
| OAR | CAU | CAX | 115.4° | 120.0° |
| CAU | CAX | CAL | 120.2° | 120.0° |
| CAU | CAX | CAI | 121.3° | 120.1° |
| CAK | CAV | CAG | 119.7° | 120.0° |
| CAV | CAK | CAW | 120.5° | 119.8° |
| CAV | CAK | H20 | 119.8° | 120.0° |
| CAV | CAG | CAF | 120.3° | 120.3° |
| CAV | CAG | H23 | 119.8° | 119.9° |
| CAK | CAW | CAT | 122.1° | 120.1° |
| CAK | CAW | CAH | 118.5° | 119.8° |
| CAW | CAK | H20 | 119.8° | 120.2° |
| CAX | CAL | CAY | 121.8° | 119.8° |
| CAL | CAX | CAI | 118.5° | 119.9° |
| CAX | CAL | H18 | 119.1° | 120.1° |
| CAL | CAY | NAQ | 118.9° | 120.1° |
| CAL | CAY | CAZ | 120.1° | 119.9° |
| CAY | CAL | H18 | 119.1° | 120.1° |
| CAX | CAI | CAJ | 120.2° | 120.0° |
| CAX | CAI | H14 | 119.9° | 120.0° |
| CAG | CAF | CAH | 119.7° | 120.1° |
| CAG | CAF | H22 | 120.2° | 119.9° |
| CAF | CAG | H23 | 119.9° | 119.8° |
| CAY | NAQ | CAT | 121.0° | 120.0° |
| NAQ | CAY | CAZ | 121.0° | 120.0° |
| CAY | NAQ | H19 | 119.5° | 120.1° |
| NAQ | CAT | CAW | 116.1° | 120.0° |
| NAQ | CAT | OAD | 123.5° | 120.0° |
| CAT | NAQ | H19 | 119.5° | 120.0° |
| CAY | CAZ | CAJ | 117.7° | 120.1° |
| CAY | CAZ | NBB | 125.4° | 120.0° |
| CAT | CAW | CAH | 119.4° | 120.1° |
| CAW | CAT | OAD | 120.3° | 120.0° |
| CAW | CAH | CAF | 121.4° | 120.0° |
| CAW | CAH | H21 | 119.3° | 120.0° |
| CAI | CAJ | CAZ | 121.8° | 120.2° |
| CAI | CAJ | H13 | 119.1° | 119.9° |
| CAJ | CAI | H14 | 119.9° | 120.0° |
| CAF | CAH | H21 | 119.3° | 120.0° |
| CAH | CAF | H22 | 120.2° | 119.9° |
| CAJ | CAZ | NBB | 116.8° | 119.9° |
| CAZ | CAJ | H13 | 119.1° | 120.0° |
| CAZ | NBB | CAO | 120.4° | 111.0° |
| CAZ | NBB | CAP | 118.1° | 111.0° |
| CAO | NBB | CAP | 119.5° | 110.9° |
| NBB | CAO | CAM | 114.1° | 109.4° |
| NBB | CAO | H1 | 108.3° | 109.5° |
| NBB | CAO | H2 | 108.3° | 109.4° |
| NBB | CAP | CAN | 113.0° | 109.4° |
| NBB | CAP | H11 | 108.6° | 109.5° |
| NBB | CAP | H12 | 108.6° | 109.5° |
| CAO | CAM | NBA | 112.7° | 109.4° |
| CAM | CAO | H1 | 108.3° | 109.5° |
| CAM | CAO | H2 | 108.3° | 109.5° |
| CAO | CAM | H3 | 108.6° | 109.5° |
| CAO | CAM | H4 | 108.7° | 109.5° |
| CAP | CAN | NBA | 110.5° | 109.3° |
| CAP | CAN | H9 | 109.2° | 109.5° |
| CAP | CAN | H10 | 109.2° | 109.5° |
| CAN | CAP | H11 | 108.6° | 109.5° |
| CAN | CAP | H12 | 108.6° | 109.4° |
| CAM | NBA | CAN | 110.6° | 110.9° |
| CAM | NBA | CAC | 108.1° | 111.0° |
| NBA | CAM | H3 | 108.6° | 109.5° |
| NBA | CAM | H4 | 108.6° | 109.5° |
| CAN | NBA | CAC | 108.0° | 111.0° |
| NBA | CAN | H9 | 109.2° | 109.5° |
| NBA | CAN | H10 | 109.2° | 109.5° |
| NBA | CAC | H6 | 109.5° | 109.5° |
| NBA | CAC | H7 | 109.5° | 109.5° |
| NBA | CAC | H8 | 109.5° | 109.5° |
| H1 | CAO | H2 | 109.5° | 109.5° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.4° | 109.5° |
| H6 | CAC | H8 | 109.4° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H11 | CAP | H12 | 109.5° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.4° |
| H15 | CAA | H17 | 109.4° | 109.5° |
| H16 | CAA | H17 | 109.5° | 109.4° |
| H24 | CAB | H25 | 109.5° | 109.5° |
| H24 | CAB | H26 | 109.5° | 109.5° |
| H25 | CAB | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | OAS | CAV | CAK | 3.2° | 180.0° |
| CAB | OAS | CAV | CAG | 176.8° | 0.0° |
| OAS | CAB | H24 | H25 | 120.0° | 120.0° |
| OAS | CAB | H24 | H26 | 120.0° | 120.0° |
| OAS | CAB | H25 | H26 | 120.0° | 120.0° |
| CAA | OAR | CAU | OAE | 2.4° | 0.0° |
| CAA | OAR | CAU | CAX | 173.4° | 180.0° |
| OAR | CAA | H15 | H16 | 120.0° | 119.9° |
| OAR | CAA | H15 | H17 | 120.0° | 120.1° |
| OAR | CAA | H16 | H17 | 120.0° | 120.1° |
| OAE | CAU | OAR | CAX | 175.8° | 179.9° |
| OAE | CAU | CAX | CAL | 6.1° | 0.0° |
| OAE | CAU | CAX | CAI | 172.8° | 180.0° |
| OAS | CAV | CAK | CAG | 179.9° | 180.0° |
| OAS | CAV | CAK | CAW | 179.7° | 180.0° |
| OAS | CAV | CAG | CAF | 179.9° | 179.7° |
| OAS | CAV | CAK | H20 | 0.3° | 0.0° |
| OAS | CAV | CAG | H23 | 0.1° | 0.0° |
| CAV | OAS | CAB | H24 | 180.0° | 60.0° |
| CAV | OAS | CAB | H25 | 60.0° | 180.0° |
| CAV | OAS | CAB | H26 | 60.0° | 60.1° |
| OAR | CAU | CAX | CAL | 178.1° | 179.9° |
| OAR | CAU | CAX | CAI | 3.1° | 0.0° |
| CAU | OAR | CAA | H15 | 180.0° | 60.0° |
| CAU | OAR | CAA | H16 | 60.0° | 60.0° |
| CAU | OAR | CAA | H17 | 60.0° | 180.0° |
| CAU | CAX | CAL | CAI | 178.9° | 180.0° |
| CAU | CAX | CAL | CAY | 178.6° | 179.7° |
| CAU | CAX | CAI | CAJ | 179.1° | 180.0° |
| CAU | CAX | CAI | H14 | 0.9° | 0.0° |
| CAU | CAX | CAL | H18 | 1.4° | 0.0° |
| CAV | CAK | CAW | H20 | 180.0° | 180.0° |
| CAK | CAV | CAG | CAF | 0.1° | 0.3° |
| CAV | CAK | CAW | CAT | 178.9° | 180.0° |
| CAV | CAK | CAW | CAH | 0.5° | 0.3° |
| CAK | CAV | CAG | H23 | 179.9° | 180.0° |
| CAG | CAV | CAK | CAW | 0.3° | 0.0° |
| CAV | CAG | CAF | H23 | 180.0° | 179.7° |
| CAV | CAG | CAF | CAH | 0.2° | 0.3° |
| CAG | CAV | CAK | H20 | 179.8° | 180.0° |
| CAV | CAG | CAF | H22 | 179.8° | 179.7° |
| CAK | CAW | CAT | NAQ | 33.5° | 179.7° |
| CAK | CAW | CAT | CAH | 178.3° | 179.7° |
| CAK | CAW | CAT | OAD | 146.7° | 0.2° |
| CAK | CAW | CAH | CAF | 0.5° | 0.3° |
| CAK | CAW | CAH | H21 | 179.5° | 179.7° |
| CAX | CAL | CAY | H18 | 180.0° | 179.8° |
| CAX | CAL | CAY | NAQ | 178.6° | 180.0° |
| CAX | CAL | CAY | CAZ | 1.5° | 0.5° |
| CAL | CAX | CAI | CAJ | 0.2° | 0.1° |
| CAL | CAX | CAI | H14 | 179.8° | 180.0° |
| CAY | CAL | CAX | CAI | 0.3° | 0.2° |
| CAL | CAY | NAQ | CAZ | 177.1° | 179.5° |
| CAL | CAY | NAQ | CAT | 76.5° | 34.7° |
| CAL | CAY | CAZ | CAJ | 2.1° | 0.6° |
| CAL | CAY | CAZ | NBB | 177.9° | 179.7° |
| CAL | CAY | NAQ | H19 | 103.5° | 145.3° |
| CAX | CAI | CAJ | H14 | 180.0° | 179.9° |
| CAX | CAI | CAJ | CAZ | 0.5° | 0.0° |
| CAX | CAI | CAJ | H13 | 179.5° | 180.0° |
| CAI | CAX | CAL | H18 | 179.7° | 180.0° |
| CAG | CAF | CAH | CAW | 0.1° | 0.0° |
| CAG | CAF | CAH | H22 | 180.0° | 180.0° |
| CAG | CAF | CAH | H21 | 179.9° | 180.0° |
| CAY | NAQ | CAT | H19 | 180.0° | 180.0° |
| CAY | NAQ | CAT | CAW | 175.7° | 175.5° |
| CAY | NAQ | CAT | OAD | 4.5° | 4.5° |
| NAQ | CAY | CAZ | CAJ | 179.1° | 180.0° |
| NAQ | CAY | CAZ | NBB | 5.1° | 0.3° |
| NAQ | CAY | CAL | H18 | 1.4° | 0.2° |
| CAT | NAQ | CAY | CAZ | 106.4° | 144.8° |
| NAQ | CAT | CAW | OAD | 179.9° | 179.9° |
| NAQ | CAT | CAW | CAH | 148.2° | 0.0° |
| CAY | CAZ | CAJ | CAI | 1.6° | 0.3° |
| CAY | CAZ | CAJ | NBB | 176.2° | 179.7° |
| CAY | CAZ | NBB | CAO | 143.5° | 120.3° |
| CAY | CAZ | NBB | CAP | 52.5° | 115.9° |
| CAY | CAZ | CAJ | H13 | 178.4° | 179.7° |
| CAZ | CAY | CAL | H18 | 178.5° | 179.7° |
| CAZ | CAY | NAQ | H19 | 73.6° | 35.2° |
| CAT | CAW | CAH | CAF | 178.9° | 180.0° |
| CAW | CAT | NAQ | H19 | 4.3° | 4.4° |
| CAT | CAW | CAK | H20 | 1.1° | 0.0° |
| CAT | CAW | CAH | H21 | 1.1° | 0.0° |
| CAH | CAW | CAT | OAD | 31.7° | 179.9° |
| CAW | CAH | CAF | H21 | 180.0° | 180.0° |
| CAH | CAW | CAK | H20 | 179.5° | 179.7° |
| CAW | CAH | CAF | H22 | 179.9° | 180.0° |
| CAI | CAJ | CAZ | H13 | 180.0° | 180.0° |
| CAI | CAJ | CAZ | NBB | 177.8° | 180.0° |
| OAD | CAT | NAQ | H19 | 175.5° | 175.5° |
| CAH | CAF | CAG | H23 | 179.8° | 180.0° |
| CAJ | CAZ | NBB | CAO | 40.6° | 60.0° |
| CAJ | CAZ | NBB | CAP | 123.4° | 63.8° |
| CAZ | CAJ | CAI | H14 | 179.5° | 180.0° |
| CAZ | NBB | CAO | CAP | 163.7° | 123.9° |
| CAZ | NBB | CAO | CAM | 169.0° | 176.8° |
| CAZ | NBB | CAP | CAN | 162.8° | 176.8° |
| CAZ | NBB | CAO | H1 | 70.3° | 56.8° |
| CAZ | NBB | CAO | H2 | 48.4° | 63.2° |
| CAZ | NBB | CAP | H11 | 42.2° | 63.3° |
| CAZ | NBB | CAP | H12 | 76.7° | 56.8° |
| NBB | CAZ | CAJ | H13 | 2.2° | 0.0° |
| NBB | CAO | CAM | H1 | 120.7° | 120.0° |
| NBB | CAO | CAM | H2 | 120.7° | 119.9° |
| CAO | NBB | CAP | CAN | 33.1° | 59.3° |
| NBB | CAO | CAM | NBA | 38.8° | 58.4° |
| NBB | CAO | H1 | H2 | 117.9° | 120.0° |
| NBB | CAO | CAM | H3 | 159.3° | 178.3° |
| NBB | CAO | CAM | H4 | 81.7° | 61.6° |
| CAO | NBB | CAP | H11 | 153.7° | 60.6° |
| CAO | NBB | CAP | H12 | 87.4° | 179.2° |
| CAP | NBB | CAO | CAM | 27.2° | 59.3° |
| NBB | CAP | CAN | H11 | 120.5° | 120.0° |
| NBB | CAP | CAN | H12 | 120.5° | 120.0° |
| NBB | CAP | CAN | NBA | 50.5° | 58.4° |
| CAP | NBB | CAO | H1 | 93.5° | 179.3° |
| CAP | NBB | CAO | H2 | 147.9° | 60.7° |
| NBB | CAP | CAN | H9 | 69.6° | 178.4° |
| NBB | CAP | CAN | H10 | 170.7° | 61.5° |
| NBB | CAP | H11 | H12 | 118.3° | 120.1° |
| CAO | CAM | NBA | H3 | 120.5° | 120.0° |
| CAO | CAM | NBA | H4 | 120.5° | 120.0° |
| CAO | CAM | NBA | CAN | 58.4° | 59.3° |
| CAO | CAM | NBA | CAC | 176.5° | 176.8° |
| CAM | CAO | H1 | H2 | 117.9° | 120.1° |
| CAO | CAM | H3 | H4 | 118.5° | 120.1° |
| CAP | CAN | NBA | CAM | 64.3° | 59.3° |
| CAP | CAN | NBA | H9 | 120.2° | 119.9° |
| CAP | CAN | NBA | H10 | 120.2° | 120.0° |
| CAP | CAN | NBA | CAC | 177.6° | 176.8° |
| CAP | CAN | H9 | H10 | 119.5° | 120.1° |
| CAN | CAP | H11 | H12 | 118.4° | 120.0° |
| CAM | NBA | CAN | CAC | 118.1° | 123.9° |
| NBA | CAM | CAO | H1 | 81.8° | 178.4° |
| NBA | CAM | CAO | H2 | 159.5° | 61.5° |
| NBA | CAM | H3 | H4 | 118.5° | 120.0° |
| CAM | NBA | CAC | H6 | 180.0° | 59.9° |
| CAM | NBA | CAC | H7 | 60.0° | 180.0° |
| CAM | NBA | CAC | H8 | 60.0° | 60.0° |
| CAM | NBA | CAN | H9 | 55.8° | 179.3° |
| CAM | NBA | CAN | H10 | 175.5° | 60.7° |
| CAN | NBA | CAM | H3 | 178.9° | 179.3° |
| CAN | NBA | CAM | H4 | 62.1° | 60.7° |
| CAN | NBA | CAC | H6 | 60.3° | 63.8° |
| CAN | NBA | CAC | H7 | 179.7° | 56.2° |
| CAN | NBA | CAC | H8 | 59.7° | 176.2° |
| NBA | CAN | H9 | H10 | 119.5° | 120.0° |
| NBA | CAN | CAP | H11 | 171.0° | 61.6° |
| NBA | CAN | CAP | H12 | 70.0° | 178.4° |
| CAC | NBA | CAM | H3 | 63.0° | 56.9° |
| CAC | NBA | CAM | H4 | 56.0° | 63.2° |
| NBA | CAC | H6 | H7 | 120.0° | 120.0° |
| NBA | CAC | H6 | H8 | 120.0° | 120.0° |
| NBA | CAC | H7 | H8 | 120.0° | 120.0° |
| CAC | NBA | CAN | H9 | 62.3° | 56.8° |
| CAC | NBA | CAN | H10 | 57.4° | 63.2° |
| H1 | CAO | CAM | H3 | 38.6° | 61.7° |
| H1 | CAO | CAM | H4 | 157.7° | 58.4° |
| H2 | CAO | CAM | H3 | 80.0° | 58.4° |
| H2 | CAO | CAM | H4 | 39.0° | 178.5° |
| H6 | CAC | H7 | H8 | 119.9° | 120.0° |
| H9 | CAN | CAP | H11 | 50.9° | 58.4° |
| H9 | CAN | CAP | H12 | 169.8° | 61.7° |
| H10 | CAN | CAP | H11 | 68.8° | 178.5° |
| H10 | CAN | CAP | H12 | 50.2° | 58.4° |
| H13 | CAJ | CAI | H14 | 0.5° | 0.0° |
| H15 | CAA | H16 | H17 | 120.0° | 120.0° |
| H21 | CAH | CAF | H22 | 0.1° | 0.0° |
| H22 | CAF | CAG | H23 | 0.2° | 0.0° |
| H24 | CAB | H25 | H26 | 120.0° | 120.1° |
