1D5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAS | doub | 1.21Å | 1.25Å | |
| CAS | OAA | sing | 1.34Å | 1.25Å | |
| CAS | CAP | sing | 1.51Å | 1.54Å | |
| CAP | CAZ | sing | 1.51Å | 1.41Å | |
| CAJ | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAZ | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CBB | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CBB | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CBB | NBE | sing | 1.40Å | 1.34Å | |
| NBE | CBD | sing | 1.47Å | 1.52Å | |
| NBE | CAV | sing | 1.34Å | 1.33Å | |
| OAC | CAV | doub | 1.22Å | 1.24Å | |
| CBD | CAW | sing | 1.51Å | 1.41Å | |
| CBD | CBC | sing | 1.51Å | 1.42Å | |
| CAV | CAU | sing | 1.48Å | 1.36Å | |
| CAW | CAU | doub | 1.35Å | 1.37Å | |
| CAW | CAT | sing | 1.47Å | 1.39Å | |
| CAU | OAE | sing | 1.35Å | 1.36Å | |
| CAO | CBC | doub | 1.33Å | 1.34Å | Aromatic |
| CAO | CAX | sing | 1.38Å | 1.35Å | Aromatic |
| CBC | SAQ | sing | 1.76Å | 1.69Å | Aromatic |
| OAB | CAT | doub | 1.22Å | 1.25Å | |
| CAT | CBA | sing | 1.46Å | 1.36Å | |
| CAX | BRA | sing | 1.89Å | 1.92Å | |
| CAX | CAN | doub | 1.33Å | 1.33Å | Aromatic |
| CBA | SAR | sing | 1.76Å | 1.80Å | Aromatic |
| CBA | CAK | doub | 1.37Å | 1.36Å | Aromatic |
| SAR | CAY | sing | 1.71Å | 1.67Å | Aromatic |
| SAQ | CAN | sing | 1.76Å | 1.69Å | Aromatic |
| CAK | CAH | sing | 1.37Å | 1.37Å | Aromatic |
| CAY | CAH | doub | 1.34Å | 1.36Å | Aromatic |
| CAY | CLA | sing | 1.74Å | 1.76Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CBD | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| OAE | H11 | sing | 0.97Å | 0.95Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAS | OAA | 126.2° | 120.0° |
| OAD | CAS | CAP | 116.8° | 120.0° |
| OAA | CAS | CAP | 116.9° | 120.0° |
| CAS | OAA | H1 | 109.5° | 117.0° |
| CAS | CAP | CAZ | 112.5° | 109.4° |
| CAS | CAP | H2 | 108.7° | 109.5° |
| CAS | CAP | H3 | 108.7° | 109.5° |
| CAP | CAZ | CAJ | 117.6° | 119.9° |
| CAP | CAZ | CAI | 122.5° | 119.9° |
| CAZ | CAP | H2 | 108.7° | 109.5° |
| CAZ | CAP | H3 | 108.7° | 109.5° |
| CAZ | CAJ | CAM | 121.0° | 120.0° |
| CAJ | CAZ | CAI | 120.0° | 120.2° |
| CAZ | CAJ | H4 | 119.5° | 120.0° |
| CAJ | CAM | CBB | 119.8° | 119.9° |
| CAM | CAJ | H4 | 119.5° | 120.0° |
| CAJ | CAM | H5 | 120.1° | 120.0° |
| CAZ | CAI | CAL | 118.6° | 120.1° |
| CAZ | CAI | H6 | 120.7° | 120.0° |
| CAM | CBB | CAL | 119.6° | 119.9° |
| CAM | CBB | NBE | 119.3° | 120.0° |
| CBB | CAM | H5 | 120.1° | 120.1° |
| CAI | CAL | CBB | 121.1° | 119.9° |
| CAL | CAI | H6 | 120.7° | 120.0° |
| CAI | CAL | H7 | 119.5° | 120.0° |
| CAL | CBB | NBE | 121.0° | 120.1° |
| CBB | CAL | H7 | 119.5° | 120.1° |
| CBB | NBE | CBD | 125.8° | 126.0° |
| CBB | NBE | CAV | 128.4° | 126.1° |
| CBD | NBE | CAV | 105.6° | 107.9° |
| NBE | CBD | CAW | 105.1° | 106.1° |
| NBE | CBD | CBC | 109.2° | 110.2° |
| NBE | CBD | H8 | 110.1° | 110.1° |
| NBE | CAV | OAC | 123.2° | 125.0° |
| NBE | CAV | CAU | 111.0° | 110.0° |
| OAC | CAV | CAU | 125.8° | 125.0° |
| CAW | CBD | CBC | 109.0° | 110.1° |
| CBD | CAW | CAU | 107.2° | 106.8° |
| CBD | CAW | CAT | 120.0° | 126.6° |
| CAW | CBD | H8 | 111.7° | 110.0° |
| CBD | CBC | CAO | 127.5° | 125.2° |
| CBD | CBC | SAQ | 125.1° | 125.2° |
| CBC | CBD | H8 | 111.5° | 110.2° |
| CAV | CAU | CAW | 110.9° | 109.2° |
| CAV | CAU | OAE | 121.1° | 125.4° |
| CAU | CAW | CAT | 132.8° | 126.6° |
| CAW | CAU | OAE | 127.9° | 125.4° |
| CAW | CAT | OAB | 119.6° | 120.0° |
| CAW | CAT | CBA | 124.5° | 120.0° |
| CAU | OAE | H11 | 109.5° | 114.0° |
| CBC | CAO | CAX | 113.7° | 114.9° |
| CAO | CBC | SAQ | 107.3° | 109.6° |
| CBC | CAO | H10 | 123.2° | 122.5° |
| CAO | CAX | BRA | 122.5° | 122.6° |
| CAO | CAX | CAN | 117.7° | 114.9° |
| CAX | CAO | H10 | 123.1° | 122.5° |
| CBC | SAQ | CAN | 95.7° | 91.0° |
| OAB | CAT | CBA | 115.5° | 120.0° |
| CAT | CBA | SAR | 123.5° | 125.4° |
| CAT | CBA | CAK | 129.3° | 125.5° |
| BRA | CAX | CAN | 119.9° | 122.6° |
| CAX | CAN | SAQ | 105.6° | 109.6° |
| CAX | CAN | H9 | 127.2° | 125.2° |
| SAR | CBA | CAK | 106.4° | 109.1° |
| CBA | SAR | CAY | 92.2° | 91.6° |
| CBA | CAK | CAH | 115.5° | 113.2° |
| CBA | CAK | H13 | 122.3° | 123.4° |
| SAR | CAY | CAH | 111.9° | 110.9° |
| SAR | CAY | CLA | 121.1° | 124.5° |
| SAQ | CAN | H9 | 127.2° | 125.2° |
| CAK | CAH | CAY | 113.7° | 115.1° |
| CAK | CAH | H12 | 123.2° | 122.5° |
| CAH | CAK | H13 | 122.2° | 123.4° |
| CAH | CAY | CLA | 127.0° | 124.6° |
| CAY | CAH | H12 | 123.2° | 122.4° |
| H2 | CAP | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAS | OAA | CAP | 179.5° | 180.0° |
| OAD | CAS | CAP | CAZ | 59.3° | 0.0° |
| OAD | CAS | OAA | H1 | 0.0° | 0.0° |
| OAD | CAS | CAP | H2 | 61.2° | 120.0° |
| OAD | CAS | CAP | H3 | 179.7° | 120.0° |
| OAA | CAS | CAP | CAZ | 121.1° | 180.0° |
| OAA | CAS | CAP | H2 | 118.4° | 60.1° |
| OAA | CAS | CAP | H3 | 0.7° | 60.0° |
| CAS | CAP | CAZ | H2 | 120.5° | 120.0° |
| CAS | CAP | CAZ | H3 | 120.5° | 120.0° |
| CAS | CAP | CAZ | CAJ | 116.9° | 89.8° |
| CAS | CAP | CAZ | CAI | 63.1° | 90.1° |
| CAP | CAS | OAA | H1 | 179.6° | 180.0° |
| CAS | CAP | H2 | H3 | 118.6° | 120.1° |
| CAP | CAZ | CAJ | CAI | 179.9° | 179.8° |
| CAP | CAZ | CAJ | CAM | 179.8° | 180.0° |
| CAP | CAZ | CAI | CAL | 179.6° | 180.0° |
| CAZ | CAP | H2 | H3 | 118.6° | 120.0° |
| CAP | CAZ | CAJ | H4 | 0.2° | 0.1° |
| CAP | CAZ | CAI | H6 | 0.4° | 0.1° |
| CAZ | CAJ | CAM | H4 | 180.0° | 179.9° |
| CAZ | CAJ | CAM | CBB | 0.3° | 0.1° |
| CAJ | CAZ | CAI | CAL | 0.3° | 0.2° |
| CAJ | CAZ | CAP | H2 | 3.6° | 150.2° |
| CAJ | CAZ | CAP | H3 | 122.6° | 30.2° |
| CAZ | CAJ | CAM | H5 | 179.7° | 180.0° |
| CAJ | CAZ | CAI | H6 | 179.7° | 179.7° |
| CAM | CAJ | CAZ | CAI | 0.2° | 0.2° |
| CAJ | CAM | CBB | H5 | 180.0° | 179.9° |
| CAJ | CAM | CBB | CAL | 0.3° | 0.3° |
| CAJ | CAM | CBB | NBE | 177.9° | 180.0° |
| CAZ | CAI | CAL | H6 | 180.0° | 179.9° |
| CAZ | CAI | CAL | CBB | 0.9° | 0.1° |
| CAI | CAZ | CAP | H2 | 176.4° | 29.9° |
| CAI | CAZ | CAP | H3 | 57.3° | 150.0° |
| CAI | CAZ | CAJ | H4 | 179.7° | 179.7° |
| CAZ | CAI | CAL | H7 | 179.1° | 180.0° |
| CAM | CBB | CAL | CAI | 0.9° | 0.3° |
| CAM | CBB | CAL | NBE | 177.6° | 179.7° |
| CAM | CBB | NBE | CBD | 42.5° | 180.0° |
| CAM | CBB | NBE | CAV | 143.8° | 0.3° |
| CBB | CAM | CAJ | H4 | 179.7° | 180.0° |
| CAM | CBB | CAL | H7 | 179.1° | 179.7° |
| CAI | CAL | CBB | H7 | 180.0° | 180.0° |
| CAI | CAL | CBB | NBE | 178.5° | 180.0° |
| CAL | CBB | NBE | CBD | 135.1° | 0.3° |
| CAL | CBB | NBE | CAV | 38.6° | 180.0° |
| CAL | CBB | CAM | H5 | 179.8° | 179.8° |
| CBB | CAL | CAI | H6 | 179.1° | 180.0° |
| CBB | NBE | CBD | CAV | 174.9° | 179.7° |
| CBB | NBE | CAV | OAC | 2.1° | 0.1° |
| CBB | NBE | CBD | CAW | 179.4° | 180.0° |
| CBB | NBE | CBD | CBC | 62.6° | 60.8° |
| CBB | NBE | CAV | CAU | 178.6° | 180.0° |
| NBE | CBB | CAM | H5 | 2.1° | 0.1° |
| NBE | CBB | CAL | H7 | 1.5° | 0.0° |
| CBB | NBE | CBD | H8 | 60.2° | 60.9° |
| CBD | NBE | CAV | OAC | 176.8° | 179.8° |
| NBE | CBD | CAW | CBC | 117.0° | 119.2° |
| NBE | CBD | CAW | H8 | 119.3° | 119.1° |
| NBE | CBD | CBC | H8 | 121.9° | 121.7° |
| CBD | NBE | CAV | CAU | 4.0° | 0.3° |
| NBE | CBD | CAW | CAU | 3.5° | 0.2° |
| NBE | CBD | CAW | CAT | 177.0° | 180.0° |
| NBE | CBD | CBC | CAO | 118.7° | 137.9° |
| NBE | CBD | CBC | SAQ | 60.9° | 42.4° |
| NBE | CAV | OAC | CAU | 179.1° | 179.9° |
| CAV | NBE | CBD | CAW | 4.6° | 0.3° |
| CAV | NBE | CBD | CBC | 112.3° | 118.9° |
| NBE | CAV | CAU | CAW | 1.9° | 0.1° |
| NBE | CAV | CAU | OAE | 178.6° | 180.0° |
| CAV | NBE | CBD | H8 | 125.0° | 119.4° |
| OAC | CAV | CAU | CAW | 178.9° | 179.9° |
| OAC | CAV | CAU | OAE | 2.2° | 0.0° |
| CAW | CBD | CBC | H8 | 123.8° | 121.6° |
| CBD | CAW | CAU | CAV | 1.3° | 0.1° |
| CBD | CAW | CAU | CAT | 179.4° | 179.7° |
| CBD | CAW | CAU | OAE | 175.1° | 179.8° |
| CAW | CBD | CBC | CAO | 127.0° | 105.4° |
| CAW | CBD | CBC | SAQ | 53.4° | 74.3° |
| CBD | CAW | CAT | OAB | 3.3° | 114.3° |
| CBD | CAW | CAT | CBA | 169.5° | 65.7° |
| CBC | CBD | CAW | CAU | 113.5° | 119.0° |
| CBC | CBD | CAW | CAT | 66.0° | 60.8° |
| CBD | CBC | CAO | SAQ | 179.6° | 179.7° |
| CBD | CBC | CAO | CAX | 179.8° | 179.8° |
| CBD | CBC | SAQ | CAN | 178.9° | 180.0° |
| CBD | CBC | CAO | H10 | 0.1° | 0.0° |
| CAV | CAU | CAW | OAE | 176.4° | 179.9° |
| CAV | CAU | CAW | CAT | 179.3° | 179.8° |
| CAV | CAU | OAE | H11 | 1.0° | 0.1° |
| CAU | CAW | CAT | OAB | 177.3° | 65.4° |
| CAU | CAW | CAT | CBA | 9.9° | 114.6° |
| CAU | CAW | CBD | H8 | 122.8° | 119.4° |
| CAW | CAU | OAE | H11 | 177.1° | 179.8° |
| CAT | CAW | CAU | OAE | 4.3° | 0.1° |
| CAW | CAT | OAB | CBA | 173.4° | 180.0° |
| CAW | CAT | CBA | SAR | 164.5° | 3.2° |
| CAW | CAT | CBA | CAK | 27.6° | 177.0° |
| CAT | CAW | CBD | H8 | 57.6° | 60.9° |
| CBC | CAO | CAX | H10 | 180.0° | 179.8° |
| CBC | CAO | CAX | BRA | 177.7° | 179.8° |
| CBC | CAO | CAX | CAN | 1.5° | 0.5° |
| CAO | CBC | SAQ | CAN | 0.8° | 0.3° |
| CAO | CBC | CBD | H8 | 3.2° | 16.1° |
| CAX | CAO | CBC | SAQ | 0.2° | 0.5° |
| CAO | CAX | BRA | CAN | 179.1° | 179.7° |
| CAO | CAX | CAN | SAQ | 1.9° | 0.2° |
| CAO | CAX | CAN | H9 | 178.1° | 179.7° |
| CBC | SAQ | CAN | CAX | 1.5° | 0.0° |
| SAQ | CBC | CBD | H8 | 177.2° | 164.2° |
| CBC | SAQ | CAN | H9 | 178.5° | 180.0° |
| SAQ | CBC | CAO | H10 | 179.8° | 179.7° |
| OAB | CAT | CBA | SAR | 22.5° | 176.9° |
| OAB | CAT | CBA | CAK | 145.4° | 2.9° |
| CAT | CBA | SAR | CAK | 170.3° | 179.8° |
| CAT | CBA | SAR | CAY | 175.1° | 180.0° |
| CAT | CBA | CAK | CAH | 175.1° | 179.8° |
| CAT | CBA | CAK | H13 | 4.9° | 0.1° |
| BRA | CAX | CAN | SAQ | 177.3° | 180.0° |
| BRA | CAX | CAN | H9 | 2.7° | 0.0° |
| BRA | CAX | CAO | H10 | 2.3° | 0.1° |
| CAX | CAN | SAQ | H9 | 180.0° | 180.0° |
| CAN | CAX | CAO | H10 | 178.5° | 179.7° |
| SAR | CBA | CAK | CAH | 5.5° | 0.4° |
| CBA | SAR | CAY | CAH | 3.0° | 0.1° |
| CBA | SAR | CAY | CLA | 177.2° | 180.0° |
| SAR | CBA | CAK | H13 | 174.4° | 179.7° |
| CAK | CBA | SAR | CAY | 4.8° | 0.2° |
| CBA | CAK | CAH | H13 | 180.0° | 179.9° |
| CBA | CAK | CAH | CAY | 3.7° | 0.5° |
| CBA | CAK | CAH | H12 | 176.3° | 179.9° |
| SAR | CAY | CAH | CAK | 0.4° | 0.3° |
| SAR | CAY | CAH | CLA | 179.7° | 179.9° |
| SAR | CAY | CAH | H12 | 179.6° | 180.0° |
| CAK | CAH | CAY | H12 | 180.0° | 179.7° |
| CAK | CAH | CAY | CLA | 179.9° | 179.7° |
| CAY | CAH | CAK | H13 | 176.3° | 179.7° |
| CLA | CAY | CAH | H12 | 0.1° | 0.1° |
| H4 | CAJ | CAM | H5 | 0.3° | 0.1° |
| H6 | CAI | CAL | H7 | 0.9° | 0.1° |
| H12 | CAH | CAK | H13 | 3.7° | 0.0° |
