1D6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAV | doub | 1.21Å | 1.27Å | |
| CAV | OAE | sing | 1.34Å | 1.26Å | |
| CAV | CAS | sing | 1.51Å | 1.53Å | |
| CAS | CBB | sing | 1.51Å | 1.47Å | |
| CAK | CBB | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAM | sing | 1.38Å | 1.37Å | Aromatic |
| CBB | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | CBF | doub | 1.39Å | 1.41Å | Aromatic |
| CAL | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CBF | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CBF | NBJ | sing | 1.40Å | 1.36Å | |
| OAD | CAX | doub | 1.21Å | 1.28Å | |
| NBJ | CAX | sing | 1.35Å | 1.33Å | |
| NBJ | CBI | sing | 1.47Å | 1.50Å | |
| CAX | CAY | sing | 1.48Å | 1.38Å | |
| CBI | CAZ | sing | 1.51Å | 1.46Å | |
| CBI | CBE | sing | 1.51Å | 1.48Å | |
| CAY | CAZ | doub | 1.35Å | 1.35Å | |
| CAY | OAF | sing | 1.35Å | 1.38Å | |
| CAZ | CAW | sing | 1.47Å | 1.40Å | |
| OAC | CAW | doub | 1.22Å | 1.23Å | |
| CAP | CBE | doub | 1.38Å | 1.37Å | Aromatic |
| CAP | CBC | sing | 1.38Å | 1.42Å | Aromatic |
| CBE | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CBD | sing | 1.48Å | 1.45Å | |
| CLA | CBC | sing | 1.74Å | 1.76Å | |
| CBC | CBH | doub | 1.39Å | 1.30Å | Aromatic |
| CAO | CBD | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CBA | sing | 1.38Å | 1.41Å | Aromatic |
| CBD | CAJ | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CBG | doub | 1.39Å | 1.34Å | Aromatic |
| CAA | CBA | sing | 1.51Å | 1.45Å | |
| CBH | CBG | sing | 1.39Å | 1.36Å | Aromatic |
| CBH | OAU | sing | 1.37Å | 1.39Å | |
| CBA | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CBG | OAT | sing | 1.37Å | 1.39Å | |
| CAJ | CAH | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| OAU | CAR | sing | 1.44Å | 1.49Å | |
| OAT | CAR | sing | 1.44Å | 1.46Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| OAF | H10 | sing | 0.97Å | 0.95Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.09Å | 1.10Å | |
| OAE | H15 | sing | 0.97Å | 0.95Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAN | H17 | sing | 1.08Å | 1.08Å | |
| CBI | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H19 | sing | 1.08Å | 1.08Å | |
| CAR | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.08Å | 1.08Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAV | OAE | 125.9° | 120.0° |
| OAB | CAV | CAS | 117.5° | 120.0° |
| OAE | CAV | CAS | 116.6° | 120.0° |
| CAV | OAE | H15 | 109.5° | 117.0° |
| CAV | CAS | CBB | 111.3° | 109.5° |
| CAV | CAS | H13 | 109.0° | 109.4° |
| CAV | CAS | H14 | 109.0° | 109.4° |
| CAS | CBB | CAK | 119.0° | 119.9° |
| CAS | CBB | CAL | 120.7° | 119.9° |
| CBB | CAS | H13 | 109.0° | 109.5° |
| CBB | CAS | H14 | 109.0° | 109.5° |
| CBB | CAK | CAM | 120.4° | 120.1° |
| CAK | CBB | CAL | 120.3° | 120.1° |
| CBB | CAK | H12 | 119.8° | 120.0° |
| CAK | CAM | CBF | 120.4° | 119.9° |
| CAK | CAM | H11 | 119.8° | 120.0° |
| CAM | CAK | H12 | 119.8° | 119.9° |
| CBB | CAL | CAN | 120.2° | 120.1° |
| CBB | CAL | H16 | 119.9° | 119.9° |
| CAM | CBF | CAN | 119.0° | 119.9° |
| CAM | CBF | NBJ | 120.2° | 120.0° |
| CBF | CAM | H11 | 119.8° | 120.1° |
| CAL | CAN | CBF | 119.0° | 119.9° |
| CAN | CAL | H16 | 119.9° | 120.0° |
| CAL | CAN | H17 | 120.5° | 120.0° |
| CAN | CBF | NBJ | 120.6° | 120.1° |
| CBF | CAN | H17 | 120.5° | 120.1° |
| CBF | NBJ | CAX | 126.9° | 126.0° |
| CBF | NBJ | CBI | 126.5° | 126.1° |
| OAD | CAX | NBJ | 123.6° | 125.0° |
| OAD | CAX | CAY | 124.0° | 125.1° |
| CAX | NBJ | CBI | 106.3° | 107.9° |
| NBJ | CAX | CAY | 112.3° | 109.9° |
| NBJ | CBI | CAZ | 103.2° | 106.2° |
| NBJ | CBI | CBE | 108.2° | 110.1° |
| NBJ | CBI | H18 | 111.4° | 110.1° |
| CAX | CAY | CAZ | 108.4° | 109.2° |
| CAX | CAY | OAF | 124.4° | 125.4° |
| CAZ | CBI | CBE | 109.5° | 110.4° |
| CBI | CAZ | CAY | 108.8° | 106.8° |
| CBI | CAZ | CAW | 118.1° | 126.6° |
| CAZ | CBI | H18 | 112.2° | 109.8° |
| CBI | CBE | CAP | 120.8° | 119.9° |
| CBI | CBE | CAQ | 121.9° | 119.9° |
| CBE | CBI | H18 | 111.9° | 110.2° |
| CAZ | CAY | OAF | 126.0° | 125.4° |
| CAY | CAZ | CAW | 129.7° | 126.7° |
| CAY | OAF | H10 | 109.5° | 114.0° |
| CAZ | CAW | OAC | 116.9° | 120.0° |
| CAZ | CAW | CBD | 124.5° | 120.0° |
| OAC | CAW | CBD | 118.1° | 120.0° |
| CBE | CAP | CBC | 121.2° | 120.1° |
| CAP | CBE | CAQ | 117.2° | 120.2° |
| CBE | CAP | H21 | 119.4° | 120.0° |
| CAP | CBC | CLA | 119.6° | 120.0° |
| CAP | CBC | CBH | 118.9° | 120.0° |
| CBC | CAP | H21 | 119.4° | 119.9° |
| CBE | CAQ | CBG | 119.3° | 120.1° |
| CBE | CAQ | H19 | 120.3° | 120.0° |
| CAW | CBD | CAO | 119.5° | 120.1° |
| CAW | CBD | CAJ | 121.7° | 120.2° |
| CLA | CBC | CBH | 121.4° | 120.0° |
| CBC | CBH | CBG | 121.0° | 119.8° |
| CBC | CBH | OAU | 125.9° | 131.6° |
| CBD | CAO | CBA | 121.3° | 119.8° |
| CAO | CBD | CAJ | 117.8° | 119.7° |
| CBD | CAO | H4 | 119.3° | 120.1° |
| CAO | CBA | CAA | 120.8° | 119.9° |
| CAO | CBA | CAI | 119.8° | 120.2° |
| CBA | CAO | H4 | 119.4° | 120.1° |
| CBD | CAJ | CAH | 121.4° | 119.9° |
| CBD | CAJ | H7 | 119.3° | 120.0° |
| CAQ | CBG | CBH | 122.2° | 119.8° |
| CAQ | CBG | OAT | 127.5° | 131.5° |
| CBG | CAQ | H19 | 120.3° | 120.0° |
| CAA | CBA | CAI | 119.3° | 119.9° |
| CBA | CAA | H1 | 109.5° | 109.5° |
| CBA | CAA | H2 | 109.4° | 109.5° |
| CBA | CAA | H3 | 109.5° | 109.5° |
| CBG | CBH | OAU | 113.1° | 108.6° |
| CBH | CBG | OAT | 110.2° | 108.6° |
| CBH | OAU | CAR | 102.8° | 105.5° |
| CBA | CAI | CAH | 120.3° | 120.3° |
| CBA | CAI | H5 | 119.9° | 119.9° |
| CBG | OAT | CAR | 105.4° | 105.5° |
| CAJ | CAH | CAI | 118.6° | 120.1° |
| CAJ | CAH | H6 | 120.7° | 120.0° |
| CAH | CAJ | H7 | 119.3° | 120.1° |
| CAH | CAI | H5 | 119.9° | 119.9° |
| CAI | CAH | H6 | 120.7° | 119.9° |
| OAU | CAR | OAT | 107.9° | 103.7° |
| OAU | CAR | H20 | 109.9° | 110.6° |
| OAU | CAR | H8 | 109.9° | 110.7° |
| OAT | CAR | H20 | 109.8° | 110.5° |
| OAT | CAR | H8 | 109.8° | 110.6° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H13 | CAS | H14 | 109.5° | 109.5° |
| H20 | CAR | H8 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAV | OAE | CAS | 179.6° | 180.0° |
| OAB | CAV | CAS | CBB | 61.9° | 0.0° |
| OAB | CAV | CAS | H13 | 58.4° | 120.0° |
| OAB | CAV | CAS | H14 | 177.8° | 120.0° |
| OAB | CAV | OAE | H15 | 0.0° | 0.0° |
| OAE | CAV | CAS | CBB | 118.5° | 180.0° |
| OAE | CAV | CAS | H13 | 121.3° | 60.1° |
| OAE | CAV | CAS | H14 | 1.8° | 60.0° |
| CAV | CAS | CBB | H13 | 120.3° | 119.9° |
| CAV | CAS | CBB | H14 | 120.3° | 120.0° |
| CAV | CAS | CBB | CAK | 126.1° | 90.0° |
| CAV | CAS | CBB | CAL | 54.0° | 90.0° |
| CAV | CAS | H13 | H14 | 119.2° | 120.0° |
| CAS | CAV | OAE | H15 | 179.6° | 180.0° |
| CAS | CBB | CAK | CAL | 179.9° | 180.0° |
| CAS | CBB | CAK | CAM | 177.3° | 180.0° |
| CAS | CBB | CAL | CAN | 173.9° | 180.0° |
| CAS | CBB | CAK | H12 | 2.7° | 0.1° |
| CBB | CAS | H13 | H14 | 119.2° | 120.1° |
| CAS | CBB | CAL | H16 | 6.1° | 0.0° |
| CBB | CAK | CAM | H12 | 180.0° | 179.9° |
| CBB | CAK | CAM | CBF | 2.5° | 0.1° |
| CAK | CBB | CAL | CAN | 6.0° | 0.0° |
| CBB | CAK | CAM | H11 | 177.5° | 179.9° |
| CAK | CBB | CAS | H13 | 5.8° | 150.1° |
| CAK | CBB | CAS | H14 | 113.6° | 30.0° |
| CAK | CBB | CAL | H16 | 174.0° | 180.0° |
| CAM | CAK | CBB | CAL | 2.6° | 0.1° |
| CAK | CAM | CBF | H11 | 180.0° | 180.0° |
| CAK | CAM | CBF | CAN | 5.8° | 0.0° |
| CAK | CAM | CBF | NBJ | 179.9° | 179.7° |
| CBB | CAL | CAN | H16 | 180.0° | 180.0° |
| CBB | CAL | CAN | CBF | 9.2° | 0.1° |
| CAL | CBB | CAK | H12 | 177.4° | 180.0° |
| CAL | CBB | CAS | H13 | 174.2° | 30.0° |
| CAL | CBB | CAS | H14 | 66.3° | 150.1° |
| CBB | CAL | CAN | H17 | 170.8° | 179.8° |
| CAM | CBF | CAN | CAL | 9.0° | 0.1° |
| CAM | CBF | CAN | NBJ | 174.1° | 179.7° |
| CAM | CBF | NBJ | CAX | 135.2° | 179.7° |
| CAM | CBF | NBJ | CBI | 38.8° | 0.6° |
| CBF | CAM | CAK | H12 | 177.5° | 180.0° |
| CAM | CBF | CAN | H17 | 171.0° | 179.8° |
| CAL | CAN | CBF | H17 | 180.0° | 179.8° |
| CAL | CAN | CBF | NBJ | 176.9° | 179.8° |
| CAN | CBF | NBJ | CAX | 50.8° | 0.0° |
| CAN | CBF | NBJ | CBI | 135.2° | 179.7° |
| CAN | CBF | CAM | H11 | 174.2° | 180.0° |
| CBF | CAN | CAL | H16 | 170.8° | 179.9° |
| CBF | NBJ | CAX | OAD | 3.8° | 0.0° |
| CBF | NBJ | CAX | CBI | 175.0° | 179.7° |
| CBF | NBJ | CAX | CAY | 173.1° | 180.0° |
| CBF | NBJ | CBI | CAZ | 178.8° | 179.9° |
| CBF | NBJ | CBI | CBE | 65.2° | 60.6° |
| NBJ | CBF | CAM | H11 | 0.1° | 0.3° |
| NBJ | CBF | CAN | H17 | 3.1° | 0.1° |
| CBF | NBJ | CBI | H18 | 58.2° | 61.1° |
| OAD | CAX | NBJ | CAY | 176.9° | 179.9° |
| OAD | CAX | NBJ | CBI | 178.8° | 179.7° |
| OAD | CAX | CAY | CAZ | 175.6° | 180.0° |
| OAD | CAX | CAY | OAF | 7.3° | 0.0° |
| CAX | NBJ | CBI | CAZ | 3.8° | 0.4° |
| CAX | NBJ | CBI | CBE | 119.8° | 119.2° |
| NBJ | CAX | CAY | CAZ | 7.5° | 0.0° |
| NBJ | CAX | CAY | OAF | 175.8° | 180.0° |
| CAX | NBJ | CBI | H18 | 116.8° | 119.2° |
| CBI | NBJ | CAX | CAY | 1.9° | 0.3° |
| NBJ | CBI | CAZ | CBE | 115.0° | 119.3° |
| NBJ | CBI | CAZ | H18 | 120.1° | 119.0° |
| NBJ | CBI | CBE | H18 | 123.1° | 121.6° |
| NBJ | CBI | CAZ | CAY | 8.3° | 0.4° |
| NBJ | CBI | CAZ | CAW | 169.5° | 179.9° |
| NBJ | CBI | CBE | CAP | 123.5° | 45.2° |
| NBJ | CBI | CBE | CAQ | 58.2° | 134.5° |
| CAX | CAY | CAZ | CBI | 9.8° | 0.3° |
| CAX | CAY | CAZ | OAF | 168.1° | 180.0° |
| CAX | CAY | CAZ | CAW | 168.1° | 180.0° |
| CAX | CAY | OAF | H10 | 3.3° | 0.0° |
| CAZ | CBI | CBE | H18 | 125.0° | 121.5° |
| CBI | CAZ | CAY | CAW | 158.3° | 179.8° |
| CBI | CAZ | CAY | OAF | 177.9° | 179.7° |
| CBI | CAZ | CAW | OAC | 4.8° | 113.8° |
| CAZ | CBI | CBE | CAP | 124.7° | 71.7° |
| CAZ | CBI | CBE | CAQ | 53.7° | 108.6° |
| CBI | CAZ | CAW | CBD | 167.3° | 66.2° |
| CBE | CBI | CAZ | CAY | 123.3° | 118.9° |
| CBE | CBI | CAZ | CAW | 75.4° | 60.8° |
| CBI | CBE | CAP | CAQ | 178.4° | 179.6° |
| CBI | CBE | CAP | CBC | 175.5° | 179.7° |
| CBI | CBE | CAQ | CBG | 178.4° | 180.0° |
| CBI | CBE | CAQ | H19 | 1.5° | 0.1° |
| CBI | CBE | CAP | H21 | 4.5° | 0.1° |
| CAY | CAZ | CAW | OAC | 151.8° | 65.9° |
| CAY | CAZ | CAW | CBD | 36.1° | 114.1° |
| CAZ | CAY | OAF | H10 | 169.7° | 180.0° |
| CAY | CAZ | CBI | H18 | 111.8° | 119.4° |
| OAF | CAY | CAZ | CAW | 23.8° | 0.0° |
| CAZ | CAW | OAC | CBD | 172.6° | 180.0° |
| CAZ | CAW | CBD | CAO | 157.6° | 176.4° |
| CAZ | CAW | CBD | CAJ | 34.2° | 3.7° |
| CAW | CAZ | CBI | H18 | 49.4° | 60.9° |
| OAC | CAW | CBD | CAO | 30.4° | 3.7° |
| OAC | CAW | CBD | CAJ | 137.8° | 176.3° |
| CBE | CAP | CBC | H21 | 180.0° | 179.7° |
| CBE | CAP | CBC | CLA | 178.1° | 179.7° |
| CBE | CAP | CBC | CBH | 3.4° | 0.5° |
| CAP | CBE | CAQ | CBG | 0.0° | 0.4° |
| CAP | CBE | CBI | H18 | 0.4° | 166.8° |
| CAP | CBE | CAQ | H19 | 179.9° | 179.7° |
| CBC | CAP | CBE | CAQ | 3.0° | 0.6° |
| CAP | CBC | CLA | CBH | 178.4° | 179.8° |
| CAP | CBC | CBH | CBG | 0.7° | 0.2° |
| CAP | CBC | CBH | OAU | 179.8° | 179.7° |
| CBE | CAQ | CBG | H19 | 180.0° | 179.9° |
| CBE | CAQ | CBG | CBH | 2.7° | 0.0° |
| CBE | CAQ | CBG | OAT | 178.2° | 180.0° |
| CAQ | CBE | CBI | H18 | 178.7° | 12.8° |
| CAQ | CBE | CAP | H21 | 177.1° | 179.7° |
| CAW | CBD | CAO | CAJ | 168.7° | 180.0° |
| CAW | CBD | CAO | CBA | 179.6° | 180.0° |
| CAW | CBD | CAJ | CAH | 178.1° | 179.8° |
| CAW | CBD | CAO | H4 | 0.4° | 0.0° |
| CAW | CBD | CAJ | H7 | 1.9° | 0.1° |
| CLA | CBC | CBH | CBG | 179.1° | 180.0° |
| CLA | CBC | CBH | OAU | 1.3° | 0.1° |
| CLA | CBC | CAP | H21 | 1.8° | 0.0° |
| CBC | CBH | CBG | CAQ | 2.4° | 0.0° |
| CBC | CBH | CBG | OAU | 179.6° | 179.9° |
| CBC | CBH | CBG | OAT | 178.6° | 180.0° |
| CBC | CBH | OAU | CAR | 174.7° | 162.8° |
| CBH | CBC | CAP | H21 | 176.7° | 179.8° |
| CBD | CAO | CBA | H4 | 180.0° | 179.9° |
| CBD | CAO | CBA | CAA | 176.5° | 180.0° |
| CBD | CAO | CBA | CAI | 7.8° | 0.2° |
| CAO | CBD | CAJ | CAH | 9.7° | 0.3° |
| CAO | CBD | CAJ | H7 | 170.3° | 180.0° |
| CBA | CAO | CBD | CAJ | 10.9° | 0.0° |
| CAO | CBA | CAA | CAI | 175.6° | 179.8° |
| CAO | CBA | CAI | CAH | 3.2° | 0.2° |
| CAO | CBA | CAA | H1 | 87.7° | 89.8° |
| CAO | CBA | CAA | H2 | 152.2° | 30.3° |
| CAO | CBA | CAA | H3 | 32.2° | 150.3° |
| CAO | CBA | CAI | H5 | 176.8° | 179.7° |
| CBD | CAJ | CAH | H7 | 180.0° | 179.7° |
| CBD | CAJ | CAH | CAI | 5.3° | 0.3° |
| CAJ | CBD | CAO | H4 | 169.1° | 179.9° |
| CBD | CAJ | CAH | H6 | 174.6° | 179.7° |
| CAQ | CBG | CBH | OAT | 176.2° | 180.0° |
| CAQ | CBG | CBH | OAU | 177.2° | 180.0° |
| CAQ | CBG | OAT | CAR | 172.5° | 162.7° |
| CAA | CBA | CAI | CAH | 178.8° | 180.0° |
| CBA | CAA | H1 | H2 | 120.0° | 120.1° |
| CBA | CAA | H1 | H3 | 120.0° | 119.9° |
| CBA | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CBA | CAO | H4 | 3.5° | 0.1° |
| CAA | CBA | CAI | H5 | 1.1° | 0.1° |
| CBG | CBH | OAU | CAR | 4.9° | 17.3° |
| CBH | CBG | OAT | CAR | 3.4° | 17.3° |
| CBH | CBG | CAQ | H19 | 177.2° | 180.0° |
| OAU | CBH | CBG | OAT | 1.1° | 0.0° |
| CBH | OAU | CAR | OAT | 6.8° | 27.2° |
| CBH | OAU | CAR | H20 | 113.0° | 91.4° |
| CBH | OAU | CAR | H8 | 126.5° | 145.8° |
| CBA | CAI | CAH | CAJ | 1.9° | 0.0° |
| CBA | CAI | CAH | H5 | 180.0° | 179.9° |
| CAI | CBA | CAA | H1 | 87.9° | 90.0° |
| CAI | CBA | CAA | H2 | 32.1° | 149.9° |
| CAI | CBA | CAA | H3 | 152.1° | 29.9° |
| CAI | CBA | CAO | H4 | 172.2° | 179.8° |
| CBA | CAI | CAH | H6 | 178.0° | 179.9° |
| CBG | OAT | CAR | OAU | 6.3° | 27.2° |
| OAT | CBG | CAQ | H19 | 1.8° | 0.1° |
| CBG | OAT | CAR | H20 | 113.5° | 91.4° |
| CBG | OAT | CAR | H8 | 126.1° | 145.9° |
| CAJ | CAH | CAI | H6 | 180.0° | 180.0° |
| CAJ | CAH | CAI | H5 | 178.0° | 180.0° |
| CAI | CAH | CAJ | H7 | 174.7° | 180.0° |
| OAU | CAR | OAT | H20 | 119.8° | 118.5° |
| OAU | CAR | OAT | H8 | 119.8° | 118.7° |
| OAU | CAR | H20 | H8 | 120.7° | 123.0° |
| OAT | CAR | H20 | H8 | 120.7° | 122.8° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H5 | CAI | CAH | H6 | 2.0° | 0.0° |
| H6 | CAH | CAJ | H7 | 5.4° | 0.0° |
| H11 | CAM | CAK | H12 | 2.6° | 0.0° |
| H16 | CAL | CAN | H17 | 9.2° | 0.2° |
