D5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FBG | CBD | sing | 1.40Å | 1.33Å | |
| FBE | CBD | sing | 1.40Å | 1.38Å | |
| FBF | CBD | sing | 1.40Å | 1.38Å | |
| CBD | CBB | sing | 1.51Å | 1.42Å | |
| CBB | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CBB | CBC | sing | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CBC | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAU | sing | 1.48Å | 1.41Å | |
| CAT | CAU | doub | 1.39Å | 1.38Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.41Å | Aromatic |
| CAS | CAR | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.41Å | Aromatic |
| CAR | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAP | sing | 1.48Å | 1.40Å | |
| OAQ | CAP | doub | 1.22Å | 1.19Å | |
| CAP | NAO | sing | 1.35Å | 1.30Å | |
| NAO | CAN | sing | 1.47Å | 1.51Å | |
| CAN | CAL | sing | 1.53Å | 1.56Å | |
| CAL | CAK | sing | 1.53Å | 1.54Å | |
| CAK | CAJ | sing | 1.53Å | 1.55Å | |
| CAK | NAM | sing | 1.47Å | 1.46Å | |
| CAJ | CAD | sing | 1.51Å | 1.40Å | |
| CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| FAI | CAB | sing | 1.35Å | 1.30Å | |
| CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.38Å | Aromatic |
| CAE | FAG | sing | 1.35Å | 1.22Å | |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | FAH | sing | 1.35Å | 1.38Å | |
| CBC | H1 | sing | 1.08Å | 1.08Å | |
| CBA | H2 | sing | 1.08Å | 1.08Å | |
| CAZ | H3 | sing | 1.08Å | 1.08Å | |
| CAY | H4 | sing | 1.08Å | 1.08Å | |
| CAV | H5 | sing | 1.08Å | 1.08Å | |
| CAW | H6 | sing | 1.08Å | 1.08Å | |
| CAT | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| NAO | H9 | sing | 0.97Å | 1.00Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| NAM | H15 | sing | 1.01Å | 1.00Å | |
| NAM | H16 | sing | 1.01Å | 1.00Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| CAF | H20 | sing | 1.08Å | 1.08Å | |
| CAC | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FBG | CBD | FBE | 108.9° | 109.5° |
| FBG | CBD | FBF | 109.0° | 109.5° |
| FBG | CBD | CBB | 109.2° | 109.5° |
| FBE | CBD | FBF | 109.1° | 109.5° |
| FBE | CBD | CBB | 110.1° | 109.5° |
| FBF | CBD | CBB | 110.5° | 109.4° |
| CBD | CBB | CBA | 120.6° | 120.0° |
| CBD | CBB | CBC | 121.6° | 120.0° |
| CBA | CBB | CBC | 117.8° | 120.1° |
| CBB | CBA | CAZ | 121.2° | 120.3° |
| CBB | CBA | H2 | 119.4° | 119.8° |
| CBB | CBC | CAX | 121.7° | 119.9° |
| CBB | CBC | H1 | 119.2° | 120.1° |
| CBA | CAZ | CAY | 120.2° | 120.1° |
| CAZ | CBA | H2 | 119.4° | 119.8° |
| CBA | CAZ | H3 | 119.9° | 120.0° |
| CBC | CAX | CAY | 119.4° | 119.7° |
| CBC | CAX | CAU | 120.4° | 120.2° |
| CAX | CBC | H1 | 119.2° | 120.0° |
| CAZ | CAY | CAX | 119.7° | 119.9° |
| CAY | CAZ | H3 | 119.9° | 119.9° |
| CAZ | CAY | H4 | 120.2° | 120.0° |
| CAY | CAX | CAU | 120.1° | 120.1° |
| CAX | CAY | H4 | 120.1° | 120.1° |
| CAX | CAU | CAT | 119.8° | 120.0° |
| CAX | CAU | CAV | 122.3° | 120.0° |
| CAU | CAT | CAS | 118.3° | 120.1° |
| CAT | CAU | CAV | 117.9° | 120.0° |
| CAU | CAT | H7 | 120.9° | 120.0° |
| CAT | CAS | CAR | 124.9° | 120.0° |
| CAS | CAT | H7 | 120.9° | 120.0° |
| CAT | CAS | H8 | 117.5° | 120.0° |
| CAU | CAV | CAW | 123.5° | 120.1° |
| CAU | CAV | H5 | 118.3° | 120.0° |
| CAS | CAR | CAW | 117.5° | 120.0° |
| CAS | CAR | CAP | 113.1° | 120.0° |
| CAR | CAS | H8 | 117.6° | 120.0° |
| CAV | CAW | CAR | 117.9° | 119.9° |
| CAW | CAV | H5 | 118.3° | 120.0° |
| CAV | CAW | H6 | 121.1° | 120.0° |
| CAW | CAR | CAP | 129.1° | 120.0° |
| CAR | CAW | H6 | 121.0° | 120.0° |
| CAR | CAP | OAQ | 117.3° | 120.0° |
| CAR | CAP | NAO | 131.5° | 120.0° |
| OAQ | CAP | NAO | 111.0° | 120.0° |
| CAP | NAO | CAN | 115.0° | 120.0° |
| CAP | NAO | H9 | 122.5° | 120.0° |
| NAO | CAN | CAL | 111.8° | 109.4° |
| CAN | NAO | H9 | 122.5° | 120.0° |
| NAO | CAN | H10 | 108.9° | 109.4° |
| NAO | CAN | H11 | 108.9° | 109.5° |
| CAN | CAL | CAK | 115.5° | 109.5° |
| CAL | CAN | H10 | 108.9° | 109.5° |
| CAL | CAN | H11 | 108.9° | 109.5° |
| CAN | CAL | H12 | 108.0° | 109.5° |
| CAN | CAL | H13 | 108.0° | 109.5° |
| CAL | CAK | CAJ | 111.7° | 109.5° |
| CAL | CAK | NAM | 109.3° | 109.5° |
| CAK | CAL | H12 | 108.0° | 109.5° |
| CAK | CAL | H13 | 107.9° | 109.5° |
| CAL | CAK | H14 | 108.4° | 109.4° |
| CAJ | CAK | NAM | 109.5° | 109.5° |
| CAK | CAJ | CAD | 113.6° | 109.5° |
| CAJ | CAK | H14 | 108.4° | 109.5° |
| CAK | CAJ | H18 | 108.4° | 109.5° |
| CAK | CAJ | H19 | 108.4° | 109.4° |
| NAM | CAK | H14 | 109.5° | 109.5° |
| CAK | NAM | H15 | 109.5° | 111.0° |
| CAK | NAM | H16 | 109.5° | 111.0° |
| CAJ | CAD | CAC | 120.3° | 120.0° |
| CAJ | CAD | CAE | 121.1° | 120.0° |
| CAD | CAJ | H18 | 108.4° | 109.5° |
| CAD | CAJ | H19 | 108.5° | 109.5° |
| CAD | CAC | CAB | 120.9° | 120.0° |
| CAC | CAD | CAE | 118.7° | 120.0° |
| CAD | CAC | H21 | 119.5° | 120.0° |
| CAC | CAB | FAI | 120.4° | 120.0° |
| CAC | CAB | CAA | 120.3° | 119.9° |
| CAB | CAC | H21 | 119.5° | 119.9° |
| FAI | CAB | CAA | 119.3° | 120.1° |
| CAD | CAE | FAG | 119.7° | 120.0° |
| CAD | CAE | CAF | 121.1° | 120.0° |
| CAB | CAA | CAF | 118.9° | 120.0° |
| CAB | CAA | FAH | 118.5° | 120.0° |
| FAG | CAE | CAF | 119.2° | 120.0° |
| CAE | CAF | CAA | 120.0° | 120.0° |
| CAE | CAF | H20 | 120.0° | 120.0° |
| CAF | CAA | FAH | 122.6° | 120.0° |
| CAA | CAF | H20 | 120.0° | 120.0° |
| H10 | CAN | H11 | 109.5° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.4° |
| H15 | NAM | H16 | 109.5° | 111.0° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FBG | CBD | FBE | FBF | 118.9° | 120.0° |
| FBG | CBD | FBE | CBB | 119.7° | 120.0° |
| FBG | CBD | FBF | CBB | 120.0° | 120.0° |
| FBG | CBD | CBB | CBA | 49.4° | 120.0° |
| FBG | CBD | CBB | CBC | 130.8° | 59.7° |
| FBE | CBD | FBF | CBB | 121.1° | 120.0° |
| FBE | CBD | CBB | CBA | 70.2° | 0.1° |
| FBE | CBD | CBB | CBC | 109.6° | 179.7° |
| FBF | CBD | CBB | CBA | 169.3° | 120.1° |
| FBF | CBD | CBB | CBC | 10.9° | 60.3° |
| CBD | CBB | CBA | CBC | 179.8° | 179.6° |
| CBD | CBB | CBA | CAZ | 179.9° | 179.9° |
| CBD | CBB | CBC | CAX | 179.5° | 180.0° |
| CBD | CBB | CBC | H1 | 0.5° | 0.1° |
| CBD | CBB | CBA | H2 | 0.1° | 0.1° |
| CBB | CBA | CAZ | H2 | 180.0° | 180.0° |
| CBA | CBB | CBC | CAX | 0.3° | 0.3° |
| CBB | CBA | CAZ | CAY | 0.1° | 0.0° |
| CBA | CBB | CBC | H1 | 179.7° | 179.7° |
| CBB | CBA | CAZ | H3 | 179.9° | 180.0° |
| CBC | CBB | CBA | CAZ | 0.1° | 0.3° |
| CBB | CBC | CAX | H1 | 180.0° | 179.9° |
| CBB | CBC | CAX | CAY | 0.7° | 0.1° |
| CBB | CBC | CAX | CAU | 179.1° | 180.0° |
| CBC | CBB | CBA | H2 | 179.9° | 179.7° |
| CBA | CAZ | CAY | H3 | 180.0° | 180.0° |
| CBA | CAZ | CAY | CAX | 0.3° | 0.2° |
| CBA | CAZ | CAY | H4 | 179.7° | 180.0° |
| CBC | CAX | CAY | CAZ | 0.6° | 0.2° |
| CBC | CAX | CAY | CAU | 179.8° | 180.0° |
| CBC | CAX | CAU | CAT | 47.6° | 0.3° |
| CBC | CAX | CAU | CAV | 131.2° | 180.0° |
| CBC | CAX | CAY | H4 | 179.4° | 179.9° |
| CAZ | CAY | CAX | H4 | 180.0° | 179.7° |
| CAZ | CAY | CAX | CAU | 179.1° | 179.8° |
| CAY | CAZ | CBA | H2 | 179.9° | 180.0° |
| CAY | CAX | CAU | CAT | 132.6° | 179.8° |
| CAY | CAX | CAU | CAV | 48.6° | 0.0° |
| CAY | CAX | CBC | H1 | 179.3° | 180.0° |
| CAX | CAY | CAZ | H3 | 179.8° | 179.8° |
| CAX | CAU | CAT | CAV | 178.8° | 179.7° |
| CAX | CAU | CAT | CAS | 179.7° | 180.0° |
| CAX | CAU | CAV | CAW | 179.7° | 180.0° |
| CAU | CAX | CBC | H1 | 0.9° | 0.0° |
| CAU | CAX | CAY | H4 | 0.9° | 0.0° |
| CAX | CAU | CAV | H5 | 0.3° | 0.0° |
| CAX | CAU | CAT | H7 | 0.3° | 0.0° |
| CAU | CAT | CAS | H7 | 180.0° | 180.0° |
| CAU | CAT | CAS | CAR | 1.9° | 0.0° |
| CAT | CAU | CAV | CAW | 0.9° | 0.3° |
| CAT | CAU | CAV | H5 | 179.1° | 179.7° |
| CAU | CAT | CAS | H8 | 178.2° | 180.0° |
| CAS | CAT | CAU | CAV | 0.8° | 0.3° |
| CAT | CAS | CAR | H8 | 180.0° | 179.9° |
| CAT | CAS | CAR | CAW | 2.8° | 0.3° |
| CAT | CAS | CAR | CAP | 177.7° | 179.9° |
| CAU | CAV | CAW | H5 | 180.0° | 180.0° |
| CAU | CAV | CAW | CAR | 1.9° | 0.0° |
| CAU | CAV | CAW | H6 | 178.1° | 180.0° |
| CAV | CAU | CAT | H7 | 179.1° | 179.7° |
| CAS | CAR | CAW | CAV | 2.6° | 0.2° |
| CAS | CAR | CAW | CAP | 174.0° | 179.7° |
| CAS | CAR | CAP | OAQ | 11.3° | 0.1° |
| CAS | CAR | CAP | NAO | 175.1° | 180.0° |
| CAS | CAR | CAW | H6 | 177.4° | 179.7° |
| CAR | CAS | CAT | H7 | 178.1° | 180.0° |
| CAV | CAW | CAR | H6 | 180.0° | 180.0° |
| CAV | CAW | CAR | CAP | 176.6° | 179.9° |
| CAW | CAR | CAP | OAQ | 162.9° | 179.7° |
| CAW | CAR | CAP | NAO | 10.7° | 0.3° |
| CAR | CAW | CAV | H5 | 178.1° | 180.0° |
| CAW | CAR | CAS | H8 | 177.2° | 179.7° |
| CAR | CAP | OAQ | NAO | 174.9° | 179.9° |
| CAR | CAP | NAO | CAN | 175.3° | 179.9° |
| CAP | CAR | CAW | H6 | 3.4° | 0.1° |
| CAP | CAR | CAS | H8 | 2.3° | 0.0° |
| CAR | CAP | NAO | H9 | 4.7° | 0.0° |
| OAQ | CAP | NAO | CAN | 1.3° | 0.0° |
| OAQ | CAP | NAO | H9 | 178.7° | 179.9° |
| CAP | NAO | CAN | H9 | 180.0° | 179.9° |
| CAP | NAO | CAN | CAL | 88.8° | 180.0° |
| CAP | NAO | CAN | H10 | 31.5° | 60.0° |
| CAP | NAO | CAN | H11 | 150.9° | 60.0° |
| NAO | CAN | CAL | H10 | 120.3° | 119.9° |
| NAO | CAN | CAL | H11 | 120.4° | 120.0° |
| NAO | CAN | CAL | CAK | 170.6° | 180.0° |
| NAO | CAN | H10 | H11 | 119.0° | 120.0° |
| NAO | CAN | CAL | H12 | 49.7° | 60.0° |
| NAO | CAN | CAL | H13 | 68.5° | 60.0° |
| CAN | CAL | CAK | H12 | 120.9° | 120.0° |
| CAN | CAL | CAK | H13 | 120.9° | 120.0° |
| CAN | CAL | CAK | CAJ | 58.1° | 175.0° |
| CAN | CAL | CAK | NAM | 179.5° | 65.0° |
| CAL | CAN | NAO | H9 | 91.2° | 0.1° |
| CAL | CAN | H10 | H11 | 118.9° | 120.1° |
| CAN | CAL | H12 | H13 | 117.3° | 120.0° |
| CAN | CAL | CAK | H14 | 61.2° | 55.0° |
| CAL | CAK | CAJ | NAM | 121.2° | 120.0° |
| CAL | CAK | CAJ | H14 | 119.3° | 119.9° |
| CAL | CAK | NAM | H14 | 118.6° | 120.0° |
| CAL | CAK | CAJ | CAD | 175.2° | 175.0° |
| CAK | CAL | CAN | H10 | 69.1° | 60.0° |
| CAK | CAL | CAN | H11 | 50.2° | 60.1° |
| CAK | CAL | H12 | H13 | 117.2° | 120.0° |
| CAL | CAK | NAM | H15 | 180.0° | 176.1° |
| CAL | CAK | NAM | H16 | 60.0° | 60.0° |
| CAL | CAK | CAJ | H18 | 64.2° | 55.0° |
| CAL | CAK | CAJ | H19 | 54.6° | 65.0° |
| CAJ | CAK | NAM | H14 | 118.7° | 120.0° |
| CAK | CAJ | CAD | H18 | 120.6° | 120.0° |
| CAK | CAJ | CAD | H19 | 120.6° | 120.0° |
| CAK | CAJ | CAD | CAC | 76.8° | 95.2° |
| CAK | CAJ | CAD | CAE | 103.9° | 85.0° |
| CAJ | CAK | CAL | H12 | 62.8° | 55.0° |
| CAJ | CAK | CAL | H13 | 179.0° | 65.0° |
| CAJ | CAK | NAM | H15 | 57.4° | 63.9° |
| CAJ | CAK | NAM | H16 | 62.6° | 60.0° |
| CAK | CAJ | H18 | H19 | 118.1° | 120.0° |
| NAM | CAK | CAJ | CAD | 54.0° | 65.0° |
| NAM | CAK | CAL | H12 | 58.6° | 175.0° |
| NAM | CAK | CAL | H13 | 59.7° | 55.0° |
| CAK | NAM | H15 | H16 | 120.0° | 123.9° |
| NAM | CAK | CAJ | H18 | 174.6° | 175.0° |
| NAM | CAK | CAJ | H19 | 66.6° | 55.0° |
| CAJ | CAD | CAC | CAE | 179.4° | 179.7° |
| CAJ | CAD | CAC | CAB | 179.3° | 179.8° |
| CAJ | CAD | CAE | FAG | 1.1° | 0.1° |
| CAJ | CAD | CAE | CAF | 179.8° | 180.0° |
| CAD | CAJ | CAK | H14 | 65.5° | 55.1° |
| CAD | CAJ | H18 | H19 | 118.1° | 120.0° |
| CAJ | CAD | CAC | H21 | 0.7° | 0.0° |
| CAD | CAC | CAB | H21 | 180.0° | 179.8° |
| CAD | CAC | CAB | FAI | 178.6° | 179.8° |
| CAD | CAC | CAB | CAA | 1.1° | 0.5° |
| CAC | CAD | CAE | FAG | 179.5° | 179.8° |
| CAC | CAD | CAE | CAF | 0.8° | 0.3° |
| CAC | CAD | CAJ | H18 | 43.8° | 144.8° |
| CAC | CAD | CAJ | H19 | 162.6° | 24.7° |
| CAC | CAB | FAI | CAA | 179.8° | 179.7° |
| CAB | CAC | CAD | CAE | 1.3° | 0.5° |
| CAC | CAB | CAA | CAF | 0.4° | 0.3° |
| CAC | CAB | CAA | FAH | 179.8° | 179.7° |
| FAI | CAB | CAA | CAF | 179.3° | 180.0° |
| FAI | CAB | CAA | FAH | 0.1° | 0.0° |
| FAI | CAB | CAC | H21 | 1.4° | 0.0° |
| CAD | CAE | FAG | CAF | 178.7° | 180.0° |
| CAD | CAE | CAF | CAA | 0.1° | 0.0° |
| CAE | CAD | CAJ | H18 | 135.5° | 35.0° |
| CAE | CAD | CAJ | H19 | 16.7° | 155.0° |
| CAD | CAE | CAF | H20 | 179.8° | 180.0° |
| CAE | CAD | CAC | H21 | 178.7° | 179.7° |
| CAB | CAA | CAF | CAE | 0.1° | 0.1° |
| CAB | CAA | CAF | FAH | 179.4° | 180.0° |
| CAB | CAA | CAF | H20 | 180.0° | 180.0° |
| CAA | CAB | CAC | H21 | 178.8° | 179.7° |
| FAG | CAE | CAF | CAA | 178.9° | 180.0° |
| FAG | CAE | CAF | H20 | 1.1° | 0.0° |
| CAE | CAF | CAA | H20 | 180.0° | 180.0° |
| CAE | CAF | CAA | FAH | 179.3° | 180.0° |
| FAH | CAA | CAF | H20 | 0.7° | 0.0° |
| H2 | CBA | CAZ | H3 | 0.1° | 0.0° |
| H3 | CAZ | CAY | H4 | 0.2° | 0.0° |
| H5 | CAV | CAW | H6 | 1.9° | 0.0° |
| H7 | CAT | CAS | H8 | 1.9° | 0.1° |
| H9 | NAO | CAN | H10 | 148.5° | 120.0° |
| H9 | NAO | CAN | H11 | 29.2° | 119.9° |
| H10 | CAN | CAL | H12 | 170.0° | 180.0° |
| H10 | CAN | CAL | H13 | 51.8° | 60.0° |
| H11 | CAN | CAL | H12 | 70.7° | 59.9° |
| H11 | CAN | CAL | H13 | 171.1° | 179.9° |
| H12 | CAL | CAK | H14 | 177.9° | 65.0° |
| H13 | CAL | CAK | H14 | 59.7° | 175.0° |
| H14 | CAK | NAM | H15 | 61.3° | 56.1° |
| H14 | CAK | NAM | H16 | 178.6° | 180.0° |
| H14 | CAK | CAJ | H18 | 55.1° | 65.0° |
| H14 | CAK | CAJ | H19 | 173.9° | 175.1° |
