0YZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.53Å | 1.49Å | |
| CAK | CAL | sing | 1.53Å | 1.48Å | |
| CAL | CAM | sing | 1.53Å | 1.49Å | |
| CAM | CAN | sing | 1.53Å | 1.50Å | |
| CAN | CAO | sing | 1.53Å | 1.50Å | |
| CAO | CAP | sing | 1.53Å | 1.49Å | |
| CAH | CAG | doub | 1.38Å | 1.36Å | Aromatic |
| CAH | CAX | sing | 1.39Å | 1.36Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| CAP | CAQ | sing | 1.53Å | 1.50Å | |
| CAQ | CAR | sing | 1.53Å | 1.51Å | |
| OAT | CAX | sing | 1.36Å | 1.34Å | |
| OAT | CAS | sing | 1.43Å | 1.38Å | |
| CAX | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAY | doub | 1.40Å | 1.37Å | Aromatic |
| CAR | CAS | sing | 1.53Å | 1.54Å | |
| CAJ | CAY | sing | 1.40Å | 1.38Å | Aromatic |
| CAY | CAV | sing | 1.48Å | 1.38Å | |
| CAV | OAC | doub | 1.22Å | 1.21Å | |
| CAV | CAF | sing | 1.47Å | 1.48Å | |
| CAF | CAW | doub | 1.35Å | 1.50Å | |
| CAW | OAE | sing | 1.35Å | 1.37Å | |
| CAW | CAU | sing | 1.48Å | 1.53Å | |
| OAB | CAU | doub | 1.21Å | 1.25Å | |
| CAU | OAD | sing | 1.35Å | 1.24Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| OAE | H2 | sing | 0.97Å | 0.95Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAQ | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| CAM | H20 | sing | 1.09Å | 1.10Å | |
| CAM | H21 | sing | 1.09Å | 1.10Å | |
| CAL | H22 | sing | 1.09Å | 1.10Å | |
| CAL | H23 | sing | 1.09Å | 1.10Å | |
| CAK | H24 | sing | 1.09Å | 1.10Å | |
| CAK | H25 | sing | 1.09Å | 1.10Å | |
| CAA | H26 | sing | 1.09Å | 1.10Å | |
| CAA | H27 | sing | 1.09Å | 1.10Å | |
| CAA | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | CAL | 107.3° | 109.5° |
| CAA | CAK | H24 | 110.0° | 109.4° |
| CAA | CAK | H25 | 110.0° | 109.4° |
| CAK | CAA | H26 | 109.5° | 109.5° |
| CAK | CAA | H27 | 109.5° | 109.4° |
| CAK | CAA | H28 | 109.5° | 109.5° |
| CAK | CAL | CAM | 112.7° | 109.5° |
| CAK | CAL | H22 | 108.7° | 109.4° |
| CAK | CAL | H23 | 108.7° | 109.5° |
| CAL | CAK | H24 | 110.0° | 109.4° |
| CAL | CAK | H25 | 110.0° | 109.5° |
| CAL | CAM | CAN | 103.0° | 109.4° |
| CAL | CAM | H20 | 111.1° | 109.5° |
| CAL | CAM | H21 | 111.0° | 109.5° |
| CAM | CAL | H22 | 108.7° | 109.5° |
| CAM | CAL | H23 | 108.6° | 109.5° |
| CAM | CAN | CAO | 113.3° | 109.4° |
| CAM | CAN | H18 | 108.5° | 109.5° |
| CAM | CAN | H19 | 108.5° | 109.4° |
| CAN | CAM | H20 | 111.1° | 109.5° |
| CAN | CAM | H21 | 111.1° | 109.4° |
| CAN | CAO | CAP | 105.4° | 109.4° |
| CAN | CAO | H16 | 110.5° | 109.5° |
| CAN | CAO | H17 | 110.5° | 109.5° |
| CAO | CAN | H18 | 108.5° | 109.5° |
| CAO | CAN | H19 | 108.5° | 109.5° |
| CAO | CAP | CAQ | 111.9° | 109.5° |
| CAO | CAP | H14 | 108.9° | 109.5° |
| CAO | CAP | H15 | 108.9° | 109.5° |
| CAP | CAO | H16 | 110.5° | 109.5° |
| CAP | CAO | H17 | 110.5° | 109.5° |
| CAG | CAH | CAX | 120.3° | 120.2° |
| CAH | CAG | CAI | 120.8° | 120.2° |
| CAH | CAG | H6 | 119.6° | 119.9° |
| CAG | CAH | H7 | 119.8° | 119.8° |
| CAH | CAX | OAT | 114.9° | 120.0° |
| CAH | CAX | CAJ | 119.6° | 120.0° |
| CAX | CAH | H7 | 119.9° | 119.9° |
| CAG | CAI | CAY | 119.2° | 119.9° |
| CAG | CAI | H5 | 120.4° | 120.0° |
| CAI | CAG | H6 | 119.6° | 119.9° |
| CAP | CAQ | CAR | 110.7° | 109.5° |
| CAP | CAQ | H12 | 109.2° | 109.4° |
| CAP | CAQ | H13 | 109.2° | 109.5° |
| CAQ | CAP | H14 | 108.9° | 109.4° |
| CAQ | CAP | H15 | 108.9° | 109.5° |
| CAQ | CAR | CAS | 110.7° | 109.5° |
| CAQ | CAR | H10 | 109.1° | 109.5° |
| CAQ | CAR | H11 | 109.2° | 109.5° |
| CAR | CAQ | H12 | 109.2° | 109.5° |
| CAR | CAQ | H13 | 109.2° | 109.5° |
| CAX | OAT | CAS | 125.2° | 117.0° |
| OAT | CAX | CAJ | 125.5° | 120.0° |
| OAT | CAS | CAR | 106.2° | 109.5° |
| OAT | CAS | H8 | 110.3° | 109.4° |
| OAT | CAS | H9 | 110.3° | 109.5° |
| CAX | CAJ | CAY | 119.8° | 119.8° |
| CAX | CAJ | H4 | 120.1° | 120.1° |
| CAI | CAY | CAJ | 120.2° | 119.7° |
| CAI | CAY | CAV | 120.0° | 120.1° |
| CAY | CAI | H5 | 120.4° | 120.1° |
| CAR | CAS | H8 | 110.3° | 109.4° |
| CAR | CAS | H9 | 110.3° | 109.5° |
| CAS | CAR | H10 | 109.2° | 109.4° |
| CAS | CAR | H11 | 109.2° | 109.5° |
| CAJ | CAY | CAV | 119.7° | 120.2° |
| CAY | CAJ | H4 | 120.1° | 120.1° |
| CAY | CAV | OAC | 126.3° | 120.0° |
| CAY | CAV | CAF | 112.8° | 120.0° |
| OAC | CAV | CAF | 120.6° | 120.0° |
| CAV | CAF | CAW | 118.6° | 120.0° |
| CAV | CAF | H3 | 120.7° | 120.0° |
| CAF | CAW | OAE | 121.5° | 120.0° |
| CAF | CAW | CAU | 114.7° | 119.9° |
| CAW | CAF | H3 | 120.7° | 120.0° |
| OAE | CAW | CAU | 123.7° | 120.0° |
| CAW | OAE | H2 | 109.5° | 114.0° |
| CAW | CAU | OAB | 120.1° | 120.1° |
| CAW | CAU | OAD | 119.9° | 119.9° |
| OAB | CAU | OAD | 120.0° | 120.0° |
| CAU | OAD | H1 | 109.5° | 117.0° |
| H8 | CAS | H9 | 109.5° | 109.4° |
| H10 | CAR | H11 | 109.5° | 109.4° |
| H12 | CAQ | H13 | 109.5° | 109.5° |
| H14 | CAP | H15 | 109.5° | 109.5° |
| H16 | CAO | H17 | 109.5° | 109.5° |
| H18 | CAN | H19 | 109.5° | 109.5° |
| H20 | CAM | H21 | 109.5° | 109.5° |
| H22 | CAL | H23 | 109.5° | 109.5° |
| H24 | CAK | H25 | 109.4° | 109.5° |
| H26 | CAA | H27 | 109.4° | 109.4° |
| H26 | CAA | H28 | 109.5° | 109.5° |
| H27 | CAA | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | CAL | H24 | 119.7° | 120.0° |
| CAA | CAK | CAL | H25 | 119.7° | 120.0° |
| CAA | CAK | CAL | CAM | 145.5° | 180.0° |
| CAA | CAK | CAL | H22 | 94.0° | 60.0° |
| CAA | CAK | CAL | H23 | 25.0° | 60.0° |
| CAA | CAK | H24 | H25 | 121.0° | 119.9° |
| CAK | CAA | H26 | H27 | 120.0° | 119.9° |
| CAK | CAA | H26 | H28 | 120.0° | 120.1° |
| CAK | CAA | H27 | H28 | 120.0° | 120.0° |
| CAK | CAL | CAM | H22 | 120.5° | 119.9° |
| CAK | CAL | CAM | H23 | 120.5° | 120.0° |
| CAK | CAL | CAM | CAN | 155.3° | 180.0° |
| CAK | CAL | CAM | H20 | 85.7° | 60.0° |
| CAK | CAL | CAM | H21 | 36.4° | 60.0° |
| CAK | CAL | H22 | H23 | 118.6° | 119.9° |
| CAL | CAK | H24 | H25 | 121.0° | 120.0° |
| CAL | CAK | CAA | H26 | 180.0° | 59.9° |
| CAL | CAK | CAA | H27 | 60.0° | 60.0° |
| CAL | CAK | CAA | H28 | 60.0° | 179.9° |
| CAL | CAM | CAN | H20 | 119.0° | 120.0° |
| CAL | CAM | CAN | H21 | 118.9° | 120.0° |
| CAL | CAM | CAN | CAO | 167.0° | 180.0° |
| CAL | CAM | CAN | H18 | 46.4° | 60.0° |
| CAL | CAM | CAN | H19 | 72.5° | 60.0° |
| CAL | CAM | H20 | H21 | 123.0° | 120.0° |
| CAM | CAL | H22 | H23 | 118.5° | 120.1° |
| CAM | CAL | CAK | H24 | 25.8° | 60.0° |
| CAM | CAL | CAK | H25 | 94.8° | 60.0° |
| CAM | CAN | CAO | H18 | 120.6° | 120.0° |
| CAM | CAN | CAO | H19 | 120.6° | 120.0° |
| CAM | CAN | CAO | CAP | 150.4° | 180.0° |
| CAM | CAN | CAO | H16 | 90.2° | 60.0° |
| CAM | CAN | CAO | H17 | 31.1° | 60.0° |
| CAM | CAN | H18 | H19 | 118.3° | 120.0° |
| CAN | CAM | H20 | H21 | 123.0° | 120.0° |
| CAN | CAM | CAL | H22 | 34.8° | 60.0° |
| CAN | CAM | CAL | H23 | 84.2° | 60.0° |
| CAN | CAO | CAP | H16 | 119.4° | 120.0° |
| CAN | CAO | CAP | H17 | 119.4° | 120.0° |
| CAN | CAO | CAP | CAQ | 170.2° | 180.0° |
| CAN | CAO | CAP | H14 | 49.8° | 60.0° |
| CAN | CAO | CAP | H15 | 69.4° | 60.0° |
| CAN | CAO | H16 | H17 | 121.9° | 120.0° |
| CAO | CAN | H18 | H19 | 118.3° | 120.0° |
| CAO | CAN | CAM | H20 | 74.1° | 60.0° |
| CAO | CAN | CAM | H21 | 48.0° | 60.0° |
| CAO | CAP | CAQ | H14 | 120.4° | 120.0° |
| CAO | CAP | CAQ | H15 | 120.4° | 120.1° |
| CAO | CAP | CAQ | CAR | 164.3° | 180.0° |
| CAO | CAP | CAQ | H12 | 75.5° | 60.0° |
| CAO | CAP | CAQ | H13 | 44.1° | 59.9° |
| CAO | CAP | H14 | H15 | 118.9° | 120.1° |
| CAP | CAO | H16 | H17 | 121.9° | 120.0° |
| CAP | CAO | CAN | H18 | 29.9° | 60.0° |
| CAP | CAO | CAN | H19 | 89.0° | 60.0° |
| CAG | CAH | CAX | H7 | 180.0° | 179.7° |
| CAH | CAG | CAI | H6 | 180.0° | 180.0° |
| CAG | CAH | CAX | OAT | 179.5° | 180.0° |
| CAG | CAH | CAX | CAJ | 2.7° | 0.2° |
| CAH | CAG | CAI | CAY | 2.2° | 0.1° |
| CAH | CAG | CAI | H5 | 177.9° | 180.0° |
| CAX | CAH | CAG | CAI | 2.7° | 0.3° |
| CAH | CAX | OAT | CAJ | 177.6° | 179.8° |
| CAH | CAX | OAT | CAS | 157.3° | 0.1° |
| CAH | CAX | CAJ | CAY | 2.2° | 0.0° |
| CAH | CAX | CAJ | H4 | 177.8° | 180.0° |
| CAX | CAH | CAG | H6 | 177.2° | 179.8° |
| CAG | CAI | CAY | H5 | 180.0° | 179.9° |
| CAG | CAI | CAY | CAJ | 1.7° | 0.2° |
| CAG | CAI | CAY | CAV | 178.5° | 180.0° |
| CAI | CAG | CAH | H7 | 177.2° | 180.0° |
| CAP | CAQ | CAR | H12 | 120.2° | 119.9° |
| CAP | CAQ | CAR | H13 | 120.2° | 120.0° |
| CAP | CAQ | CAR | CAS | 166.6° | 180.0° |
| CAP | CAQ | CAR | H10 | 73.2° | 60.1° |
| CAP | CAQ | CAR | H11 | 46.4° | 59.9° |
| CAP | CAQ | H12 | H13 | 119.4° | 120.0° |
| CAQ | CAP | H14 | H15 | 118.9° | 120.0° |
| CAQ | CAP | CAO | H16 | 70.5° | 60.0° |
| CAQ | CAP | CAO | H17 | 50.8° | 60.0° |
| CAQ | CAR | CAS | OAT | 83.0° | 180.0° |
| CAQ | CAR | CAS | H10 | 120.2° | 120.0° |
| CAQ | CAR | CAS | H11 | 120.2° | 120.1° |
| CAQ | CAR | CAS | H8 | 36.5° | 60.0° |
| CAQ | CAR | CAS | H9 | 157.5° | 59.9° |
| CAQ | CAR | H10 | H11 | 119.4° | 120.0° |
| CAR | CAQ | H12 | H13 | 119.4° | 120.0° |
| CAR | CAQ | CAP | H14 | 44.0° | 60.0° |
| CAR | CAQ | CAP | H15 | 75.3° | 60.0° |
| CAX | OAT | CAS | CAR | 179.6° | 180.0° |
| OAT | CAX | CAJ | CAY | 179.7° | 179.8° |
| OAT | CAX | CAJ | H4 | 0.3° | 0.2° |
| OAT | CAX | CAH | H7 | 0.5° | 0.2° |
| CAX | OAT | CAS | H8 | 60.1° | 60.0° |
| CAX | OAT | CAS | H9 | 60.9° | 60.0° |
| CAS | OAT | CAX | CAJ | 25.1° | 179.8° |
| OAT | CAS | CAR | H8 | 119.5° | 120.0° |
| OAT | CAS | CAR | H9 | 119.5° | 120.1° |
| OAT | CAS | H8 | H9 | 121.5° | 120.0° |
| OAT | CAS | CAR | H10 | 37.2° | 60.1° |
| OAT | CAS | CAR | H11 | 156.8° | 59.9° |
| CAX | CAJ | CAY | CAI | 1.7° | 0.2° |
| CAX | CAJ | CAY | H4 | 180.0° | 180.0° |
| CAX | CAJ | CAY | CAV | 178.6° | 180.0° |
| CAJ | CAX | CAH | H7 | 177.2° | 180.0° |
| CAI | CAY | CAJ | CAV | 176.9° | 179.8° |
| CAI | CAY | CAV | OAC | 29.9° | 179.8° |
| CAI | CAY | CAV | CAF | 143.5° | 0.2° |
| CAI | CAY | CAJ | H4 | 178.3° | 179.8° |
| CAY | CAI | CAG | H6 | 177.8° | 180.0° |
| CAR | CAS | H8 | H9 | 121.5° | 119.9° |
| CAS | CAR | H10 | H11 | 119.5° | 120.0° |
| CAS | CAR | CAQ | H12 | 46.4° | 60.1° |
| CAS | CAR | CAQ | H13 | 73.2° | 60.0° |
| CAJ | CAY | CAV | OAC | 153.2° | 0.0° |
| CAJ | CAY | CAV | CAF | 33.4° | 180.0° |
| CAJ | CAY | CAI | H5 | 178.4° | 179.7° |
| CAY | CAV | OAC | CAF | 173.0° | 180.0° |
| CAY | CAV | CAF | CAW | 179.5° | 174.3° |
| CAY | CAV | CAF | H3 | 0.4° | 5.7° |
| CAV | CAY | CAJ | H4 | 1.4° | 0.0° |
| CAV | CAY | CAI | H5 | 1.5° | 0.1° |
| OAC | CAV | CAF | CAW | 5.7° | 5.6° |
| OAC | CAV | CAF | H3 | 174.3° | 174.4° |
| CAV | CAF | CAW | H3 | 180.0° | 180.0° |
| CAV | CAF | CAW | OAE | 5.1° | 8.0° |
| CAV | CAF | CAW | CAU | 178.6° | 172.0° |
| CAF | CAW | OAE | CAU | 175.9° | 180.0° |
| CAF | CAW | CAU | OAB | 1.5° | 0.0° |
| CAF | CAW | CAU | OAD | 179.8° | 179.7° |
| CAF | CAW | OAE | H2 | 2.4° | 6.7° |
| OAE | CAW | CAU | OAB | 177.6° | 180.0° |
| OAE | CAW | CAU | OAD | 4.1° | 0.3° |
| OAE | CAW | CAF | H3 | 174.8° | 172.0° |
| CAW | CAU | OAB | OAD | 178.3° | 179.7° |
| CAW | CAU | OAD | H1 | 178.3° | 179.7° |
| CAU | CAW | OAE | H2 | 178.2° | 173.3° |
| CAU | CAW | CAF | H3 | 1.4° | 8.0° |
| OAB | CAU | OAD | H1 | 0.0° | 0.0° |
| H5 | CAI | CAG | H6 | 2.2° | 0.1° |
| H6 | CAG | CAH | H7 | 2.8° | 0.1° |
| H8 | CAS | CAR | H10 | 156.7° | 180.0° |
| H8 | CAS | CAR | H11 | 83.7° | 60.1° |
| H9 | CAS | CAR | H10 | 82.3° | 60.0° |
| H9 | CAS | CAR | H11 | 37.4° | 180.0° |
| H10 | CAR | CAQ | H12 | 166.6° | 180.0° |
| H10 | CAR | CAQ | H13 | 47.0° | 60.0° |
| H11 | CAR | CAQ | H12 | 73.8° | 60.0° |
| H11 | CAR | CAQ | H13 | 166.6° | 180.0° |
| H12 | CAQ | CAP | H14 | 164.2° | 180.0° |
| H12 | CAQ | CAP | H15 | 44.9° | 60.0° |
| H13 | CAQ | CAP | H14 | 76.2° | 60.0° |
| H13 | CAQ | CAP | H15 | 164.5° | 180.0° |
| H14 | CAP | CAO | H16 | 169.2° | 180.0° |
| H14 | CAP | CAO | H17 | 69.6° | 60.0° |
| H15 | CAP | CAO | H16 | 49.9° | 60.0° |
| H15 | CAP | CAO | H17 | 171.2° | 180.0° |
| H16 | CAO | CAN | H18 | 149.2° | 180.0° |
| H16 | CAO | CAN | H19 | 30.3° | 60.0° |
| H17 | CAO | CAN | H18 | 89.5° | 60.0° |
| H17 | CAO | CAN | H19 | 151.6° | 180.0° |
| H18 | CAN | CAM | H20 | 165.4° | 180.0° |
| H18 | CAN | CAM | H21 | 72.5° | 60.0° |
| H19 | CAN | CAM | H20 | 46.5° | 60.0° |
| H19 | CAN | CAM | H21 | 168.6° | 180.0° |
| H20 | CAM | CAL | H22 | 153.8° | 179.9° |
| H20 | CAM | CAL | H23 | 34.8° | 60.0° |
| H21 | CAM | CAL | H22 | 84.1° | 59.9° |
| H21 | CAM | CAL | H23 | 156.9° | 180.0° |
| H22 | CAL | CAK | H24 | 146.3° | 180.0° |
| H22 | CAL | CAK | H25 | 25.7° | 60.0° |
| H23 | CAL | CAK | H24 | 94.6° | 60.0° |
| H23 | CAL | CAK | H25 | 144.7° | 180.0° |
| H24 | CAK | CAA | H26 | 60.3° | 179.9° |
| H24 | CAK | CAA | H27 | 59.7° | 60.0° |
| H24 | CAK | CAA | H28 | 179.7° | 60.0° |
| H25 | CAK | CAA | H26 | 60.3° | 60.1° |
| H25 | CAK | CAA | H27 | 179.7° | 180.0° |
| H25 | CAK | CAA | H28 | 59.7° | 60.0° |
| H26 | CAA | H27 | H28 | 120.0° | 120.0° |
