0YY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAO | sing | 1.53Å | 1.52Å | |
| CAP | CAQ | sing | 1.53Å | 1.51Å | |
| CAO | CAN | sing | 1.53Å | 1.53Å | |
| CAK | CAL | sing | 1.53Å | 1.52Å | |
| CAK | CAA | sing | 1.53Å | 1.52Å | |
| CAL | CAM | sing | 1.53Å | 1.51Å | |
| OAR | CAQ | sing | 1.43Å | 1.38Å | |
| OAR | CAV | sing | 1.36Å | 1.32Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| CAV | CAG | doub | 1.39Å | 1.37Å | Aromatic |
| CAV | CAH | sing | 1.39Å | 1.36Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAW | doub | 1.40Å | 1.38Å | Aromatic |
| CAJ | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAW | CAT | sing | 1.48Å | 1.40Å | |
| CAT | OAC | doub | 1.22Å | 1.23Å | |
| CAT | CAF | sing | 1.47Å | 1.53Å | |
| CAF | CAU | doub | 1.35Å | 1.53Å | |
| CAU | OAE | sing | 1.35Å | 1.36Å | |
| CAU | CAS | sing | 1.48Å | 1.51Å | |
| OAB | CAS | doub | 1.21Å | 1.24Å | |
| CAS | 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 | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAQ | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAL | H18 | sing | 1.09Å | 1.10Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å | |
| CAK | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAP | CAQ | 109.4° | 109.5° |
| CAP | CAO | CAN | 110.0° | 109.5° |
| CAO | CAP | H10 | 109.5° | 109.5° |
| CAO | CAP | H11 | 109.5° | 109.5° |
| CAP | CAO | H12 | 109.3° | 109.4° |
| CAP | CAO | H13 | 109.4° | 109.5° |
| CAP | CAQ | OAR | 107.4° | 109.4° |
| CAP | CAQ | H8 | 110.0° | 109.5° |
| CAP | CAQ | H9 | 110.0° | 109.5° |
| CAQ | CAP | H10 | 109.5° | 109.5° |
| CAQ | CAP | H11 | 109.5° | 109.5° |
| CAO | CAN | CAM | 112.0° | 109.5° |
| CAN | CAO | H12 | 109.3° | 109.5° |
| CAN | CAO | H13 | 109.3° | 109.5° |
| CAO | CAN | H14 | 108.8° | 109.5° |
| CAO | CAN | H15 | 108.8° | 109.4° |
| CAL | CAK | CAA | 109.9° | 109.4° |
| CAK | CAL | CAM | 110.6° | 109.4° |
| CAK | CAL | H18 | 109.2° | 109.5° |
| CAK | CAL | H19 | 109.2° | 109.5° |
| CAL | CAK | H20 | 109.4° | 109.5° |
| CAL | CAK | H21 | 109.4° | 109.4° |
| CAA | CAK | H20 | 109.4° | 109.5° |
| CAA | CAK | H21 | 109.4° | 109.5° |
| CAK | CAA | H22 | 109.5° | 109.5° |
| CAK | CAA | H23 | 109.5° | 109.5° |
| CAK | CAA | H24 | 109.5° | 109.4° |
| CAL | CAM | CAN | 112.4° | 109.4° |
| CAL | CAM | H16 | 108.7° | 109.5° |
| CAL | CAM | H17 | 108.7° | 109.5° |
| CAM | CAL | H18 | 109.2° | 109.5° |
| CAM | CAL | H19 | 109.2° | 109.5° |
| CAQ | OAR | CAV | 110.5° | 117.0° |
| OAR | CAQ | H8 | 110.0° | 109.5° |
| OAR | CAQ | H9 | 110.0° | 109.5° |
| OAR | CAV | CAG | 120.3° | 119.9° |
| OAR | CAV | CAH | 118.8° | 119.9° |
| CAM | CAN | H14 | 108.8° | 109.5° |
| CAM | CAN | H15 | 108.8° | 109.5° |
| CAN | CAM | H16 | 108.8° | 109.5° |
| CAN | CAM | H17 | 108.8° | 109.5° |
| CAG | CAV | CAH | 121.0° | 120.2° |
| CAV | CAG | CAI | 121.3° | 120.1° |
| CAV | CAG | H7 | 119.3° | 120.0° |
| CAV | CAH | CAJ | 117.7° | 120.1° |
| CAV | CAH | H5 | 121.2° | 120.0° |
| CAG | CAI | CAW | 118.9° | 119.9° |
| CAG | CAI | H6 | 120.6° | 120.0° |
| CAI | CAG | H7 | 119.3° | 119.9° |
| CAH | CAJ | CAW | 122.9° | 119.9° |
| CAH | CAJ | H4 | 118.6° | 120.1° |
| CAJ | CAH | H5 | 121.1° | 119.9° |
| CAI | CAW | CAJ | 118.3° | 119.8° |
| CAI | CAW | CAT | 124.3° | 120.1° |
| CAW | CAI | H6 | 120.6° | 120.0° |
| CAJ | CAW | CAT | 117.2° | 120.1° |
| CAW | CAJ | H4 | 118.6° | 120.0° |
| CAW | CAT | OAC | 126.2° | 120.0° |
| CAW | CAT | CAF | 109.7° | 120.0° |
| OAC | CAT | CAF | 123.5° | 120.0° |
| CAT | CAF | CAU | 125.4° | 120.0° |
| CAT | CAF | H3 | 117.3° | 120.0° |
| CAF | CAU | OAE | 125.0° | 120.0° |
| CAF | CAU | CAS | 115.1° | 120.0° |
| CAU | CAF | H3 | 117.3° | 120.0° |
| OAE | CAU | CAS | 119.8° | 120.0° |
| CAU | OAE | H2 | 109.5° | 114.0° |
| CAU | CAS | OAB | 118.7° | 120.0° |
| CAU | CAS | OAD | 120.3° | 120.0° |
| OAB | CAS | OAD | 120.9° | 120.0° |
| CAS | OAD | H1 | 109.5° | 117.0° |
| H8 | CAQ | H9 | 109.5° | 109.5° |
| H10 | CAP | H11 | 109.5° | 109.5° |
| H12 | CAO | H13 | 109.5° | 109.4° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAM | H17 | 109.4° | 109.5° |
| H18 | CAL | H19 | 109.5° | 109.5° |
| H20 | CAK | H21 | 109.4° | 109.5° |
| H22 | CAA | H23 | 109.4° | 109.5° |
| H22 | CAA | H24 | 109.4° | 109.5° |
| H23 | CAA | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAP | CAQ | H10 | 120.0° | 120.0° |
| CAO | CAP | CAQ | H11 | 120.0° | 120.0° |
| CAP | CAO | CAN | H12 | 120.1° | 120.0° |
| CAP | CAO | CAN | H13 | 120.1° | 120.0° |
| CAO | CAP | CAQ | OAR | 153.7° | 180.0° |
| CAP | CAO | CAN | CAM | 179.6° | 180.0° |
| CAO | CAP | CAQ | H8 | 86.6° | 60.0° |
| CAO | CAP | CAQ | H9 | 34.1° | 60.0° |
| CAO | CAP | H10 | H11 | 120.0° | 120.0° |
| CAP | CAO | H12 | H13 | 119.8° | 119.9° |
| CAP | CAO | CAN | H14 | 59.3° | 60.0° |
| CAP | CAO | CAN | H15 | 60.0° | 60.0° |
| CAQ | CAP | CAO | CAN | 46.5° | 180.0° |
| CAP | CAQ | OAR | H8 | 119.7° | 120.0° |
| CAP | CAQ | OAR | H9 | 119.7° | 120.0° |
| CAP | CAQ | OAR | CAV | 180.0° | 180.0° |
| CAP | CAQ | H8 | H9 | 121.0° | 120.0° |
| CAQ | CAP | H10 | H11 | 120.0° | 120.0° |
| CAQ | CAP | CAO | H12 | 73.6° | 60.0° |
| CAQ | CAP | CAO | H13 | 166.6° | 59.9° |
| CAO | CAN | CAM | CAL | 86.1° | 180.0° |
| CAO | CAN | CAM | H14 | 120.4° | 120.0° |
| CAO | CAN | CAM | H15 | 120.4° | 120.0° |
| CAN | CAO | CAP | H10 | 73.5° | 60.0° |
| CAN | CAO | CAP | H11 | 166.5° | 60.0° |
| CAN | CAO | H12 | H13 | 119.7° | 120.0° |
| CAO | CAN | H14 | H15 | 118.8° | 120.0° |
| CAO | CAN | CAM | H16 | 34.3° | 60.0° |
| CAO | CAN | CAM | H17 | 153.4° | 60.0° |
| CAL | CAK | CAA | H20 | 120.1° | 120.0° |
| CAL | CAK | CAA | H21 | 120.1° | 119.9° |
| CAK | CAL | CAM | H18 | 120.1° | 120.0° |
| CAK | CAL | CAM | H19 | 120.2° | 120.0° |
| CAK | CAL | CAM | CAN | 139.1° | 180.0° |
| CAK | CAL | CAM | H16 | 18.6° | 60.0° |
| CAK | CAL | CAM | H17 | 100.5° | 60.0° |
| CAK | CAL | H18 | H19 | 119.5° | 120.0° |
| CAL | CAK | H20 | H21 | 119.8° | 120.0° |
| CAL | CAK | CAA | H22 | 180.0° | 60.0° |
| CAL | CAK | CAA | H23 | 60.0° | 60.0° |
| CAL | CAK | CAA | H24 | 60.0° | 179.9° |
| CAA | CAK | CAL | CAM | 37.4° | 180.0° |
| CAA | CAK | CAL | H18 | 82.7° | 60.0° |
| CAA | CAK | CAL | H19 | 157.6° | 60.0° |
| CAA | CAK | H20 | H21 | 119.8° | 120.1° |
| CAK | CAA | H22 | H23 | 120.0° | 120.0° |
| CAK | CAA | H22 | H24 | 120.0° | 120.0° |
| CAK | CAA | H23 | H24 | 120.0° | 120.0° |
| CAL | CAM | CAN | H16 | 120.5° | 120.0° |
| CAL | CAM | CAN | H17 | 120.4° | 120.0° |
| CAL | CAM | CAN | H14 | 34.3° | 60.0° |
| CAL | CAM | CAN | H15 | 153.5° | 60.0° |
| CAL | CAM | H16 | H17 | 118.7° | 120.0° |
| CAM | CAL | H18 | H19 | 119.5° | 120.0° |
| CAM | CAL | CAK | H20 | 82.6° | 60.0° |
| CAM | CAL | CAK | H21 | 157.5° | 60.0° |
| CAQ | OAR | CAV | CAG | 169.8° | 180.0° |
| CAQ | OAR | CAV | CAH | 10.0° | 0.2° |
| OAR | CAQ | H8 | H9 | 120.9° | 120.0° |
| OAR | CAQ | CAP | H10 | 33.7° | 60.0° |
| OAR | CAQ | CAP | H11 | 86.3° | 60.0° |
| OAR | CAV | CAG | CAH | 179.8° | 179.8° |
| OAR | CAV | CAG | CAI | 179.7° | 180.0° |
| OAR | CAV | CAH | CAJ | 179.1° | 179.9° |
| OAR | CAV | CAH | H5 | 0.9° | 0.1° |
| OAR | CAV | CAG | H7 | 0.2° | 0.1° |
| CAV | OAR | CAQ | H8 | 60.3° | 60.0° |
| CAV | OAR | CAQ | H9 | 60.3° | 60.0° |
| CAM | CAN | CAO | H12 | 60.3° | 60.0° |
| CAM | CAN | CAO | H13 | 59.5° | 60.0° |
| CAM | CAN | H14 | H15 | 118.8° | 120.0° |
| CAN | CAM | H16 | H17 | 118.7° | 120.0° |
| CAN | CAM | CAL | H18 | 100.8° | 60.0° |
| CAN | CAM | CAL | H19 | 18.9° | 60.0° |
| CAV | CAG | CAI | H7 | 180.0° | 180.0° |
| CAG | CAV | CAH | CAJ | 0.7° | 0.2° |
| CAV | CAG | CAI | CAW | 0.7° | 0.0° |
| CAG | CAV | CAH | H5 | 179.3° | 179.8° |
| CAV | CAG | CAI | H6 | 179.3° | 180.0° |
| CAH | CAV | CAG | CAI | 0.0° | 0.2° |
| CAV | CAH | CAJ | H5 | 180.0° | 180.0° |
| CAV | CAH | CAJ | CAW | 2.1° | 0.0° |
| CAV | CAH | CAJ | H4 | 177.9° | 180.0° |
| CAH | CAV | CAG | H7 | 180.0° | 179.8° |
| CAG | CAI | CAW | H6 | 180.0° | 179.9° |
| CAG | CAI | CAW | CAJ | 2.0° | 0.3° |
| CAG | CAI | CAW | CAT | 176.2° | 180.0° |
| CAH | CAJ | CAW | CAI | 2.8° | 0.3° |
| CAH | CAJ | CAW | H4 | 180.0° | 180.0° |
| CAH | CAJ | CAW | CAT | 177.4° | 180.0° |
| CAI | CAW | CAJ | CAT | 174.7° | 179.7° |
| CAI | CAW | CAT | OAC | 31.1° | 179.7° |
| CAI | CAW | CAT | CAF | 140.0° | 0.3° |
| CAI | CAW | CAJ | H4 | 177.2° | 179.7° |
| CAW | CAI | CAG | H7 | 179.3° | 180.0° |
| CAJ | CAW | CAT | OAC | 154.6° | 0.1° |
| CAJ | CAW | CAT | CAF | 34.3° | 180.0° |
| CAW | CAJ | CAH | H5 | 177.9° | 180.0° |
| CAJ | CAW | CAI | H6 | 178.0° | 179.8° |
| CAW | CAT | OAC | CAF | 170.0° | 179.9° |
| CAW | CAT | CAF | CAU | 177.4° | 174.3° |
| CAW | CAT | CAF | H3 | 2.6° | 5.6° |
| CAT | CAW | CAJ | H4 | 2.6° | 0.0° |
| CAT | CAW | CAI | H6 | 3.8° | 0.1° |
| OAC | CAT | CAF | CAU | 6.0° | 5.6° |
| OAC | CAT | CAF | H3 | 174.0° | 174.4° |
| CAT | CAF | CAU | H3 | 180.0° | 180.0° |
| CAT | CAF | CAU | OAE | 0.6° | 7.9° |
| CAT | CAF | CAU | CAS | 178.1° | 172.0° |
| CAF | CAU | OAE | CAS | 178.6° | 179.9° |
| CAF | CAU | CAS | OAB | 0.3° | 0.0° |
| CAF | CAU | CAS | OAD | 179.8° | 179.8° |
| CAF | CAU | OAE | H2 | 180.0° | 6.8° |
| OAE | CAU | CAS | OAB | 179.0° | 179.9° |
| OAE | CAU | CAS | OAD | 1.4° | 0.3° |
| OAE | CAU | CAF | H3 | 179.4° | 172.0° |
| CAU | CAS | OAB | OAD | 179.5° | 179.8° |
| CAU | CAS | OAD | H1 | 179.5° | 179.7° |
| CAS | CAU | OAE | H2 | 1.4° | 173.3° |
| CAS | CAU | CAF | H3 | 2.0° | 8.0° |
| OAB | CAS | OAD | H1 | 0.0° | 0.1° |
| H4 | CAJ | CAH | H5 | 2.1° | 0.0° |
| H6 | CAI | CAG | H7 | 0.7° | 0.0° |
| H8 | CAQ | CAP | H10 | 153.4° | 180.0° |
| H8 | CAQ | CAP | H11 | 33.4° | 60.0° |
| H9 | CAQ | CAP | H10 | 85.9° | 60.0° |
| H9 | CAQ | CAP | H11 | 154.1° | 180.0° |
| H10 | CAP | CAO | H12 | 166.4° | 180.0° |
| H10 | CAP | CAO | H13 | 46.6° | 60.1° |
| H11 | CAP | CAO | H12 | 46.4° | 60.0° |
| H11 | CAP | CAO | H13 | 73.4° | 179.9° |
| H12 | CAO | CAN | H14 | 179.3° | 180.0° |
| H12 | CAO | CAN | H15 | 60.1° | 60.0° |
| H13 | CAO | CAN | H14 | 60.9° | 60.0° |
| H13 | CAO | CAN | H15 | 179.9° | 180.0° |
| H14 | CAN | CAM | H16 | 154.7° | 180.0° |
| H14 | CAN | CAM | H17 | 86.2° | 60.0° |
| H15 | CAN | CAM | H16 | 86.1° | 60.0° |
| H15 | CAN | CAM | H17 | 33.0° | 180.0° |
| H16 | CAM | CAL | H18 | 138.8° | 180.0° |
| H16 | CAM | CAL | H19 | 101.5° | 60.0° |
| H17 | CAM | CAL | H18 | 19.7° | 60.0° |
| H17 | CAM | CAL | H19 | 139.4° | 180.0° |
| H18 | CAL | CAK | H20 | 157.2° | NaN° |
| H18 | CAL | CAK | H21 | 37.4° | 60.0° |
| H19 | CAL | CAK | H20 | 37.5° | 60.0° |
| H19 | CAL | CAK | H21 | 82.3° | 180.0° |
| H20 | CAK | CAA | H22 | 59.9° | 180.0° |
| H20 | CAK | CAA | H23 | 179.9° | 60.0° |
| H20 | CAK | CAA | H24 | 60.1° | 60.0° |
| H21 | CAK | CAA | H22 | 59.9° | 59.9° |
| H21 | CAK | CAA | H23 | 60.1° | 179.9° |
| H21 | CAK | CAA | H24 | 179.9° | 60.0° |
| H22 | CAA | H23 | H24 | 119.9° | 120.0° |
