12G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAU | doub | 1.21Å | 1.26Å | |
| CAT | CAU | sing | 1.51Å | 1.55Å | |
| CAT | CAZ | sing | 1.51Å | 1.41Å | |
| CAU | OAA | sing | 1.34Å | 1.27Å | |
| CAQ | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAP | sing | 1.38Å | 1.41Å | Aromatic |
| CAS | CBC | doub | 1.39Å | 1.41Å | Aromatic |
| CAP | CAR | doub | 1.38Å | 1.41Å | Aromatic |
| CBC | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CBC | NBG | sing | 1.40Å | 1.35Å | |
| OAC | CAX | doub | 1.22Å | 1.24Å | |
| NBG | CAX | sing | 1.35Å | 1.35Å | |
| NBG | CBF | sing | 1.47Å | 1.47Å | |
| CAX | CAW | sing | 1.48Å | 1.36Å | |
| CLA | CBB | sing | 1.74Å | 1.77Å | |
| CBF | CAY | sing | 1.51Å | 1.43Å | |
| CBF | CBE | sing | 1.51Å | 1.44Å | |
| CAW | OAE | sing | 1.35Å | 1.36Å | |
| CAW | CAY | doub | 1.35Å | 1.39Å | |
| CAY | CAV | sing | 1.47Å | 1.41Å | |
| CBE | CBB | doub | 1.38Å | 1.44Å | Aromatic |
| CBE | CAO | sing | 1.38Å | 1.42Å | Aromatic |
| CBB | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | OAB | doub | 1.22Å | 1.23Å | |
| CAV | CBD | sing | 1.48Å | 1.41Å | |
| CAN | CBD | doub | 1.40Å | 1.42Å | Aromatic |
| CAN | CAJ | sing | 1.38Å | 1.37Å | Aromatic |
| CBD | CBA | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CBA | CL2 | sing | 1.74Å | 1.73Å | |
| CBA | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CBF | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.08Å | 1.08Å | |
| CAT | H8 | sing | 1.09Å | 1.10Å | |
| CAT | H9 | sing | 1.09Å | 1.10Å | |
| OAA | H10 | sing | 0.97Å | 0.95Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| CAS | H12 | sing | 1.08Å | 1.08Å | |
| OAE | H13 | sing | 0.97Å | 0.95Å | |
| CAL | H14 | sing | 1.08Å | 1.08Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAN | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAU | CAT | 116.8° | 120.0° |
| OAD | CAU | OAA | 126.0° | 120.0° |
| CAU | CAT | CAZ | 111.4° | 109.5° |
| CAT | CAU | OAA | 117.0° | 120.0° |
| CAU | CAT | H8 | 109.0° | 109.5° |
| CAU | CAT | H9 | 109.0° | 109.5° |
| CAT | CAZ | CAQ | 119.0° | 119.9° |
| CAT | CAZ | CAP | 121.1° | 119.9° |
| CAZ | CAT | H8 | 109.0° | 109.4° |
| CAZ | CAT | H9 | 109.0° | 109.5° |
| CAU | OAA | H10 | 109.5° | 117.0° |
| CAZ | CAQ | CAS | 120.0° | 120.1° |
| CAQ | CAZ | CAP | 119.9° | 120.2° |
| CAZ | CAQ | H11 | 120.0° | 120.0° |
| CAQ | CAS | CBC | 120.6° | 119.9° |
| CAS | CAQ | H11 | 120.0° | 120.0° |
| CAQ | CAS | H12 | 119.7° | 120.0° |
| CAZ | CAP | CAR | 120.2° | 120.1° |
| CAZ | CAP | H7 | 119.9° | 120.0° |
| CAS | CBC | CAR | 119.7° | 119.9° |
| CAS | CBC | NBG | 118.8° | 120.0° |
| CBC | CAS | H12 | 119.7° | 120.1° |
| CAP | CAR | CBC | 119.7° | 119.9° |
| CAP | CAR | H6 | 120.2° | 120.1° |
| CAR | CAP | H7 | 119.9° | 120.0° |
| CAR | CBC | NBG | 121.5° | 120.1° |
| CBC | CAR | H6 | 120.1° | 120.0° |
| CBC | NBG | CAX | 128.3° | 126.0° |
| CBC | NBG | CBF | 124.2° | 126.1° |
| OAC | CAX | NBG | 124.0° | 125.0° |
| OAC | CAX | CAW | 123.9° | 125.0° |
| CAX | NBG | CBF | 107.4° | 107.9° |
| NBG | CAX | CAW | 111.9° | 109.9° |
| NBG | CBF | CAY | 103.6° | 106.2° |
| NBG | CBF | CBE | 110.0° | 110.1° |
| NBG | CBF | H5 | 110.4° | 110.1° |
| CAX | CAW | OAE | 123.6° | 125.4° |
| CAX | CAW | CAY | 107.4° | 109.2° |
| CLA | CBB | CBE | 120.9° | 120.0° |
| CLA | CBB | CAM | 118.9° | 120.0° |
| CAY | CBF | CBE | 110.7° | 110.1° |
| CBF | CAY | CAW | 109.5° | 106.8° |
| CBF | CAY | CAV | 120.4° | 126.6° |
| CAY | CBF | H5 | 111.0° | 110.1° |
| CBF | CBE | CBB | 120.8° | 120.0° |
| CBF | CBE | CAO | 120.0° | 120.0° |
| CBE | CBF | H5 | 110.9° | 110.1° |
| OAE | CAW | CAY | 129.0° | 125.4° |
| CAW | OAE | H13 | 109.5° | 114.0° |
| CAW | CAY | CAV | 129.9° | 126.6° |
| CAY | CAV | OAB | 119.9° | 120.0° |
| CAY | CAV | CBD | 121.5° | 120.0° |
| CBB | CBE | CAO | 119.2° | 120.0° |
| CBE | CBB | CAM | 120.2° | 119.9° |
| CBE | CAO | CAK | 119.6° | 120.1° |
| CBE | CAO | H4 | 120.2° | 119.9° |
| CBB | CAM | CAI | 119.3° | 120.0° |
| CBB | CAM | H1 | 120.4° | 120.0° |
| OAB | CAV | CBD | 118.5° | 120.0° |
| CAV | CBD | CAN | 117.3° | 120.2° |
| CAV | CBD | CBA | 122.3° | 120.1° |
| CBD | CAN | CAJ | 120.2° | 119.9° |
| CAN | CBD | CBA | 119.2° | 119.7° |
| CBD | CAN | H17 | 119.9° | 120.1° |
| CAN | CAJ | CAH | 120.1° | 120.2° |
| CAN | CAJ | H16 | 120.0° | 119.9° |
| CAJ | CAN | H17 | 119.9° | 120.1° |
| CBD | CBA | CL2 | 121.4° | 120.1° |
| CBD | CBA | CAL | 119.7° | 119.8° |
| CAO | CAK | CAI | 120.6° | 120.0° |
| CAO | CAK | H3 | 119.7° | 120.0° |
| CAK | CAO | H4 | 120.2° | 120.0° |
| CAM | CAI | CAK | 121.1° | 120.0° |
| CAI | CAM | H1 | 120.3° | 120.1° |
| CAM | CAI | H2 | 119.4° | 120.0° |
| CAJ | CAH | CAL | 120.8° | 120.3° |
| CAJ | CAH | H15 | 119.6° | 119.9° |
| CAH | CAJ | H16 | 120.0° | 119.9° |
| CL2 | CBA | CAL | 118.9° | 120.1° |
| CBA | CAL | CAH | 119.7° | 120.2° |
| CBA | CAL | H14 | 120.2° | 119.9° |
| CAK | CAI | H2 | 119.4° | 120.0° |
| CAI | CAK | H3 | 119.7° | 120.0° |
| CAH | CAL | H14 | 120.1° | 119.9° |
| CAL | CAH | H15 | 119.6° | 119.8° |
| H8 | CAT | H9 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAU | CAT | OAA | 176.2° | 180.0° |
| OAD | CAU | CAT | CAZ | 103.0° | 0.0° |
| OAD | CAU | CAT | H8 | 17.3° | 120.0° |
| OAD | CAU | CAT | H9 | 136.7° | 120.0° |
| OAD | CAU | OAA | H10 | 0.0° | 0.1° |
| CAU | CAT | CAZ | H8 | 120.3° | 120.0° |
| CAU | CAT | CAZ | H9 | 120.3° | 120.1° |
| CAU | CAT | CAZ | CAQ | 149.3° | 90.0° |
| CAU | CAT | CAZ | CAP | 33.3° | 90.0° |
| CAU | CAT | H8 | H9 | 119.1° | 120.0° |
| CAT | CAU | OAA | H10 | 175.8° | 180.0° |
| CAZ | CAT | CAU | OAA | 80.8° | 180.0° |
| CAT | CAZ | CAQ | CAP | 177.4° | 179.9° |
| CAT | CAZ | CAQ | CAS | 179.3° | 179.7° |
| CAT | CAZ | CAP | CAR | 178.9° | 180.0° |
| CAT | CAZ | CAP | H7 | 1.1° | 0.0° |
| CAZ | CAT | H8 | H9 | 119.1° | 120.0° |
| CAT | CAZ | CAQ | H11 | 0.7° | 0.0° |
| OAA | CAU | CAT | H8 | 158.9° | 60.0° |
| OAA | CAU | CAT | H9 | 39.5° | 59.9° |
| CAZ | CAQ | CAS | H11 | 180.0° | 179.7° |
| CAZ | CAQ | CAS | CBC | 0.9° | 0.6° |
| CAQ | CAZ | CAP | CAR | 1.5° | 0.1° |
| CAQ | CAZ | CAP | H7 | 178.5° | 180.0° |
| CAQ | CAZ | CAT | H8 | 29.0° | 30.0° |
| CAQ | CAZ | CAT | H9 | 90.4° | 149.9° |
| CAZ | CAQ | CAS | H12 | 179.1° | 180.0° |
| CAS | CAQ | CAZ | CAP | 1.9° | 0.3° |
| CAQ | CAS | CBC | H12 | 180.0° | 179.5° |
| CAQ | CAS | CBC | CAR | 0.4° | 0.5° |
| CAQ | CAS | CBC | NBG | 177.8° | 179.7° |
| CAZ | CAP | CAR | H7 | 180.0° | 180.0° |
| CAZ | CAP | CAR | CBC | 0.3° | 0.0° |
| CAZ | CAP | CAR | H6 | 179.8° | 179.9° |
| CAP | CAZ | CAT | H8 | 153.6° | 150.0° |
| CAP | CAZ | CAT | H9 | 87.0° | 30.0° |
| CAP | CAZ | CAQ | H11 | 178.2° | 180.0° |
| CAS | CBC | CAR | CAP | 0.7° | 0.3° |
| CAS | CBC | CAR | NBG | 177.3° | 179.7° |
| CAS | CBC | NBG | CAX | 111.6° | 179.8° |
| CAS | CBC | NBG | CBF | 66.3° | 0.3° |
| CAS | CBC | CAR | H6 | 179.3° | 179.7° |
| CBC | CAS | CAQ | H11 | 179.1° | 179.7° |
| CAP | CAR | CBC | H6 | 180.0° | 180.0° |
| CAP | CAR | CBC | NBG | 178.0° | 180.0° |
| CAR | CBC | NBG | CAX | 71.1° | 0.0° |
| CAR | CBC | NBG | CBF | 111.0° | 180.0° |
| CBC | CAR | CAP | H7 | 179.8° | 180.0° |
| CAR | CBC | CAS | H12 | 179.6° | 180.0° |
| CBC | NBG | CAX | OAC | 1.0° | 0.0° |
| CBC | NBG | CAX | CBF | 178.2° | 180.0° |
| CBC | NBG | CAX | CAW | 174.6° | 180.0° |
| CBC | NBG | CBF | CAY | 176.3° | 180.0° |
| CBC | NBG | CBF | CBE | 65.4° | 60.8° |
| CBC | NBG | CBF | H5 | 57.3° | 60.8° |
| NBG | CBC | CAR | H6 | 2.0° | 0.0° |
| NBG | CBC | CAS | H12 | 2.2° | 0.3° |
| OAC | CAX | NBG | CAW | 175.7° | 180.0° |
| OAC | CAX | NBG | CBF | 179.2° | 180.0° |
| OAC | CAX | CAW | OAE | 1.2° | 0.1° |
| OAC | CAX | CAW | CAY | 179.3° | 180.0° |
| CAX | NBG | CBF | CAY | 2.0° | 0.0° |
| CAX | NBG | CBF | CBE | 116.3° | 119.2° |
| NBG | CAX | CAW | OAE | 176.9° | 179.9° |
| NBG | CAX | CAW | CAY | 3.7° | 0.0° |
| CAX | NBG | CBF | H5 | 120.9° | 119.2° |
| CBF | NBG | CAX | CAW | 3.6° | 0.0° |
| NBG | CBF | CAY | CBE | 117.9° | 119.2° |
| NBG | CBF | CAY | H5 | 118.6° | 119.2° |
| NBG | CBF | CBE | H5 | 122.5° | 121.6° |
| NBG | CBF | CAY | CAW | 0.2° | 0.0° |
| NBG | CBF | CAY | CAV | 176.5° | 180.0° |
| NBG | CBF | CBE | CBB | 123.8° | 154.6° |
| NBG | CBF | CBE | CAO | 56.9° | 25.7° |
| CAX | CAW | CAY | CBF | 2.2° | 0.1° |
| CAX | CAW | OAE | CAY | 179.3° | 179.9° |
| CAX | CAW | CAY | CAV | 178.1° | 180.0° |
| CAX | CAW | OAE | H13 | 0.6° | 0.1° |
| CLA | CBB | CBE | CBF | 1.1° | 0.0° |
| CLA | CBB | CBE | CAM | 178.8° | 179.8° |
| CLA | CBB | CBE | CAO | 178.3° | 179.7° |
| CLA | CBB | CAM | CAI | 178.3° | 180.0° |
| CLA | CBB | CAM | H1 | 1.7° | 0.0° |
| CAY | CBF | CBE | H5 | 123.6° | 121.6° |
| CBF | CAY | CAW | OAE | 178.3° | 179.9° |
| CBF | CAY | CAW | CAV | 175.9° | 180.0° |
| CAY | CBF | CBE | CBB | 122.3° | 88.6° |
| CAY | CBF | CBE | CAO | 57.0° | 91.0° |
| CBF | CAY | CAV | OAB | 0.4° | 112.7° |
| CBF | CAY | CAV | CBD | 179.8° | 67.2° |
| CBE | CBF | CAY | CAW | 118.0° | 119.1° |
| CBE | CBF | CAY | CAV | 65.6° | 60.8° |
| CBF | CBE | CBB | CAO | 179.3° | 179.7° |
| CBF | CBE | CBB | CAM | 179.8° | 179.8° |
| CBF | CBE | CAO | CAK | 179.9° | 179.7° |
| CBF | CBE | CAO | H4 | 0.1° | 0.0° |
| OAE | CAW | CAY | CAV | 2.5° | 0.1° |
| CAW | CAY | CAV | OAB | 175.8° | 67.3° |
| CAW | CAY | CAV | CBD | 4.7° | 112.8° |
| CAW | CAY | CBF | H5 | 118.4° | 119.3° |
| CAY | CAW | OAE | H13 | 179.9° | 180.0° |
| CAY | CAV | OAB | CBD | 179.5° | 179.9° |
| CAY | CAV | CBD | CAN | 127.0° | 1.8° |
| CAY | CAV | CBD | CBA | 65.6° | 178.6° |
| CAV | CAY | CBF | H5 | 57.9° | 60.8° |
| CBB | CBE | CAO | CAK | 0.8° | 0.6° |
| CBE | CBB | CAM | CAI | 0.5° | 0.2° |
| CBE | CBB | CAM | H1 | 179.5° | 179.8° |
| CBB | CBE | CAO | H4 | 179.2° | 179.7° |
| CBB | CBE | CBF | H5 | 1.3° | 33.0° |
| CAO | CBE | CBB | CAM | 0.5° | 0.6° |
| CBE | CAO | CAK | H4 | 180.0° | 179.7° |
| CBE | CAO | CAK | CAI | 1.1° | 0.3° |
| CBE | CAO | CAK | H3 | 178.9° | 179.7° |
| CAO | CBE | CBF | H5 | 179.3° | 147.4° |
| CBB | CAM | CAI | H1 | 180.0° | 180.0° |
| CBB | CAM | CAI | CAK | 0.8° | 0.0° |
| CBB | CAM | CAI | H2 | 179.2° | 179.9° |
| OAB | CAV | CBD | CAN | 53.6° | 178.3° |
| OAB | CAV | CBD | CBA | 113.9° | 1.3° |
| CAV | CBD | CAN | CBA | 167.9° | 179.6° |
| CAV | CBD | CAN | CAJ | 173.8° | 179.8° |
| CAV | CBD | CBA | CL2 | 8.7° | 0.1° |
| CAV | CBD | CBA | CAL | 173.8° | 180.0° |
| CAV | CBD | CAN | H17 | 6.2° | 0.1° |
| CBD | CAN | CAJ | H17 | 180.0° | 179.7° |
| CBD | CAN | CAJ | CAH | 2.4° | 0.6° |
| CAN | CBD | CBA | CL2 | 175.9° | 179.7° |
| CAN | CBD | CBA | CAL | 6.6° | 0.4° |
| CBD | CAN | CAJ | H16 | 177.6° | 179.7° |
| CAJ | CAN | CBD | CBA | 6.0° | 0.6° |
| CAN | CAJ | CAH | H16 | 180.0° | 179.7° |
| CAN | CAJ | CAH | CAL | 0.6° | 0.3° |
| CAN | CAJ | CAH | H15 | 179.4° | 179.8° |
| CBD | CBA | CL2 | CAL | 177.6° | 179.9° |
| CBD | CBA | CAL | CAH | 3.6° | 0.0° |
| CBD | CBA | CAL | H14 | 176.3° | 180.0° |
| CBA | CBD | CAN | H17 | 174.0° | 179.7° |
| CAO | CAK | CAI | CAM | 1.1° | 0.0° |
| CAO | CAK | CAI | H3 | 180.0° | 180.0° |
| CAO | CAK | CAI | H2 | 178.9° | 180.0° |
| CAM | CAI | CAK | H2 | 180.0° | 180.0° |
| CAM | CAI | CAK | H3 | 178.9° | 180.0° |
| CAJ | CAH | CAL | CBA | 0.0° | 0.0° |
| CAJ | CAH | CAL | H15 | 180.0° | 179.9° |
| CAJ | CAH | CAL | H14 | 180.0° | 180.0° |
| CAH | CAJ | CAN | H17 | 177.6° | 179.7° |
| CL2 | CBA | CAL | CAH | 178.8° | 180.0° |
| CL2 | CBA | CAL | H14 | 1.3° | 0.0° |
| CBA | CAL | CAH | H14 | 180.0° | 180.0° |
| CBA | CAL | CAH | H15 | 180.0° | 179.9° |
| CAK | CAI | CAM | H1 | 179.2° | 180.0° |
| CAI | CAK | CAO | H4 | 178.9° | 179.9° |
| CAL | CAH | CAJ | H16 | 179.4° | 180.0° |
| H1 | CAM | CAI | H2 | 0.8° | 0.1° |
| H2 | CAI | CAK | H3 | 1.1° | 0.0° |
| H3 | CAK | CAO | H4 | 1.1° | 0.0° |
| H6 | CAR | CAP | H7 | 0.2° | 0.0° |
| H11 | CAQ | CAS | H12 | 0.9° | 0.3° |
| H14 | CAL | CAH | H15 | 0.0° | 0.1° |
| H15 | CAH | CAJ | H16 | 0.6° | 0.0° |
| H16 | CAJ | CAN | H17 | 2.4° | 0.0° |
