VVI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLBE | CBD | sing | 1.74Å | 1.75Å | |
| CBC | CBD | doub | 1.38Å | 1.39Å | Aromatic |
| CBC | NBB | sing | 1.32Å | 1.40Å | Aromatic |
| CBD | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| NBB | CBA | doub | 1.32Å | 1.40Å | Aromatic |
| NBH | CBG | trip | 1.14Å | 1.20Å | |
| CAY | CAW | sing | 1.53Å | 1.53Å | |
| CAX | CAW | sing | 1.51Å | 1.41Å | |
| CAX | CAZ | doub | 1.39Å | 1.40Å | Aromatic |
| CBG | CAS | sing | 1.43Å | 1.45Å | |
| CBA | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| OAV | CAW | sing | 1.43Å | 1.46Å | |
| OAV | CAR | sing | 1.36Å | 1.38Å | |
| CAZ | CLBF | sing | 1.74Å | 1.73Å | |
| CAS | CAR | doub | 1.41Å | 1.40Å | Aromatic |
| CAS | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | NAU | doub | 1.32Å | 1.41Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| NAU | CAP | sing | 1.33Å | 1.35Å | Aromatic |
| CAP | NAN | sing | 1.39Å | 1.35Å | |
| OAO | CAL | doub | 1.22Å | 1.24Å | |
| NAN | CAL | sing | 1.35Å | 1.36Å | |
| CAL | NAJ | sing | 1.35Å | 1.34Å | |
| NAJ | CAE | sing | 1.40Å | 1.34Å | |
| NAF | CAE | doub | 1.32Å | 1.35Å | Aromatic |
| NAF | CAA | sing | 1.32Å | 1.34Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| OAK | CAD | sing | 1.36Å | 1.37Å | |
| OAK | CAM | sing | 1.43Å | 1.43Å | |
| CAH | OAI | sing | 1.43Å | 1.44Å | |
| CAH | CAA | sing | 1.51Å | 1.40Å | |
| CAA | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | BRAG | sing | 1.89Å | 1.89Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAT | H8 | sing | 1.08Å | 1.08Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAY | H10 | sing | 1.09Å | 1.10Å | |
| CAY | H11 | sing | 1.09Å | 1.10Å | |
| CAY | H12 | sing | 1.09Å | 1.10Å | |
| CBA | H13 | sing | 1.08Å | 1.08Å | |
| CBC | H14 | sing | 1.08Å | 1.08Å | |
| NAJ | H15 | sing | 0.97Å | 1.00Å | |
| NAN | H16 | sing | 0.97Å | 1.00Å | |
| OAI | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLBE | CBD | CBC | 117.9° | 120.4° |
| CLBE | CBD | CAX | 122.2° | 120.4° |
| CBD | CBC | NBB | 120.7° | 120.8° |
| CBC | CBD | CAX | 119.9° | 119.2° |
| CBD | CBC | H14 | 119.6° | 119.6° |
| CBC | NBB | CBA | 119.4° | 121.8° |
| NBB | CBC | H14 | 119.6° | 119.6° |
| CBD | CAX | CAW | 123.0° | 120.8° |
| CBD | CAX | CAZ | 119.0° | 118.4° |
| NBB | CBA | CAZ | 119.7° | 120.8° |
| NBB | CBA | H13 | 120.2° | 119.6° |
| NBH | CBG | CAS | 179.6° | 180.0° |
| CAY | CAW | CAX | 107.2° | 109.5° |
| CAY | CAW | OAV | 110.8° | 109.4° |
| CAY | CAW | H9 | 107.1° | 109.5° |
| CAW | CAY | H10 | 109.5° | 109.4° |
| CAW | CAY | H11 | 109.5° | 109.5° |
| CAW | CAY | H12 | 109.5° | 109.5° |
| CAW | CAX | CAZ | 117.9° | 120.8° |
| CAX | CAW | OAV | 114.9° | 109.5° |
| CAX | CAW | H9 | 108.6° | 109.5° |
| CAX | CAZ | CBA | 121.2° | 119.1° |
| CAX | CAZ | CLBF | 119.8° | 120.4° |
| CBG | CAS | CAR | 121.2° | 120.5° |
| CBG | CAS | CAT | 119.4° | 120.6° |
| CBA | CAZ | CLBF | 118.9° | 120.4° |
| CAZ | CBA | H13 | 120.1° | 119.6° |
| CAW | OAV | CAR | 118.8° | 117.0° |
| OAV | CAW | H9 | 108.0° | 109.5° |
| OAV | CAR | CAS | 117.1° | 120.9° |
| OAV | CAR | CAQ | 123.8° | 120.9° |
| CAR | CAS | CAT | 119.3° | 118.9° |
| CAS | CAR | CAQ | 119.1° | 118.2° |
| CAS | CAT | NAU | 120.0° | 120.7° |
| CAS | CAT | H8 | 120.0° | 119.6° |
| CAR | CAQ | CAP | 121.4° | 119.2° |
| CAR | CAQ | H7 | 119.3° | 120.4° |
| CAT | NAU | CAP | 121.1° | 121.9° |
| NAU | CAT | H8 | 120.0° | 119.7° |
| CAQ | CAP | NAU | 119.1° | 121.1° |
| CAQ | CAP | NAN | 122.5° | 119.5° |
| CAP | CAQ | H7 | 119.3° | 120.5° |
| NAU | CAP | NAN | 118.3° | 119.5° |
| CAP | NAN | CAL | 122.5° | 120.0° |
| CAP | NAN | H16 | 118.8° | 120.0° |
| OAO | CAL | NAN | 123.8° | 120.0° |
| OAO | CAL | NAJ | 119.3° | 120.0° |
| NAN | CAL | NAJ | 117.0° | 120.0° |
| CAL | NAN | H16 | 118.8° | 120.0° |
| CAL | NAJ | CAE | 120.3° | 120.0° |
| CAL | NAJ | H15 | 119.8° | 120.0° |
| NAJ | CAE | NAF | 124.7° | 119.7° |
| NAJ | CAE | CAD | 114.9° | 119.7° |
| CAE | NAJ | H15 | 119.9° | 120.0° |
| CAE | NAF | CAA | 121.2° | 121.7° |
| NAF | CAE | CAD | 120.4° | 120.6° |
| NAF | CAA | CAH | 119.7° | 119.5° |
| NAF | CAA | CAB | 119.9° | 120.9° |
| CAE | CAD | OAK | 116.5° | 120.5° |
| CAE | CAD | CAC | 120.1° | 119.0° |
| CAD | OAK | CAM | 111.9° | 117.0° |
| OAK | CAD | CAC | 123.5° | 120.5° |
| OAK | CAM | H4 | 109.5° | 109.5° |
| OAK | CAM | H5 | 109.4° | 109.5° |
| OAK | CAM | H6 | 109.5° | 109.5° |
| OAI | CAH | CAA | 109.6° | 109.5° |
| OAI | CAH | H2 | 109.4° | 109.5° |
| OAI | CAH | H3 | 109.4° | 109.5° |
| CAH | OAI | H17 | 109.5° | 113.9° |
| CAH | CAA | CAB | 120.3° | 119.5° |
| CAA | CAH | H2 | 109.4° | 109.4° |
| CAA | CAH | H3 | 109.4° | 109.4° |
| CAA | CAB | CAC | 120.1° | 119.3° |
| CAA | CAB | BRAG | 121.0° | 120.3° |
| CAD | CAC | CAB | 118.3° | 118.5° |
| CAD | CAC | H1 | 120.8° | 120.8° |
| CAC | CAB | BRAG | 118.9° | 120.4° |
| CAB | CAC | H1 | 120.8° | 120.8° |
| H2 | CAH | H3 | 109.5° | 109.5° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H4 | CAM | H6 | 109.4° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.4° |
| H10 | CAY | H11 | 109.5° | 109.5° |
| H10 | CAY | H12 | 109.5° | 109.5° |
| H11 | CAY | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLBE | CBD | CBC | CAX | 179.2° | 180.0° |
| CLBE | CBD | CBC | NBB | 180.0° | 180.0° |
| CLBE | CBD | CAX | CAW | 1.3° | 0.0° |
| CLBE | CBD | CAX | CAZ | 179.4° | 179.8° |
| CLBE | CBD | CBC | H14 | 0.0° | 0.1° |
| CBD | CBC | NBB | H14 | 180.0° | 179.9° |
| CBD | CBC | NBB | CBA | 0.3° | 0.3° |
| CBC | CBD | CAX | CAW | 179.5° | 180.0° |
| CBC | CBD | CAX | CAZ | 1.4° | 0.3° |
| NBB | CBC | CBD | CAX | 0.8° | 0.0° |
| CBC | NBB | CBA | CAZ | 0.4° | 0.3° |
| CBC | NBB | CBA | H13 | 179.6° | 179.7° |
| CBD | CAX | CAW | CAY | 78.8° | 75.3° |
| CBD | CAX | CAW | CAZ | 178.1° | 179.7° |
| CBD | CAX | CAZ | CBA | 1.5° | 0.2° |
| CBD | CAX | CAW | OAV | 44.8° | 44.7° |
| CBD | CAX | CAZ | CLBF | 179.1° | 179.8° |
| CBD | CAX | CAW | H9 | 165.8° | 164.7° |
| CAX | CBD | CBC | H14 | 179.2° | 180.0° |
| NBB | CBA | CAZ | CAX | 1.1° | 0.0° |
| NBB | CBA | CAZ | H13 | 180.0° | 180.0° |
| NBB | CBA | CAZ | CLBF | 179.6° | 180.0° |
| CBA | NBB | CBC | H14 | 179.7° | 179.7° |
| NBH | CBG | CAS | CAR | 169.9° | 149.6° |
| NBH | CBG | CAS | CAT | 8.7° | 30.5° |
| CAY | CAW | CAX | OAV | 123.6° | 120.0° |
| CAY | CAW | CAX | H9 | 115.4° | 120.0° |
| CAY | CAW | CAX | CAZ | 99.3° | 105.0° |
| CAY | CAW | OAV | H9 | 117.0° | 120.0° |
| CAY | CAW | OAV | CAR | 143.0° | 93.8° |
| CAW | CAY | H10 | H11 | 120.0° | 120.0° |
| CAW | CAY | H10 | H12 | 120.0° | 120.0° |
| CAW | CAY | H11 | H12 | 120.0° | 120.0° |
| CAW | CAX | CAZ | CBA | 179.7° | 180.0° |
| CAX | CAW | OAV | H9 | 121.3° | 120.0° |
| CAX | CAW | OAV | CAR | 95.4° | 146.2° |
| CAW | CAX | CAZ | CLBF | 0.9° | 0.0° |
| CAX | CAW | CAY | H10 | 180.0° | 180.0° |
| CAX | CAW | CAY | H11 | 60.0° | 60.0° |
| CAX | CAW | CAY | H12 | 60.0° | 60.0° |
| CAX | CAZ | CBA | CLBF | 179.3° | 180.0° |
| CAZ | CAX | CAW | OAV | 137.1° | 135.0° |
| CAZ | CAX | CAW | H9 | 16.1° | 15.0° |
| CAX | CAZ | CBA | H13 | 179.0° | 180.0° |
| CBG | CAS | CAR | OAV | 0.7° | 0.0° |
| CBG | CAS | CAR | CAT | 178.6° | 180.0° |
| CBG | CAS | CAR | CAQ | 179.9° | 180.0° |
| CBG | CAS | CAT | NAU | 179.3° | 179.7° |
| CBG | CAS | CAT | H8 | 0.6° | 0.0° |
| CAW | OAV | CAR | CAS | 175.8° | 173.9° |
| CAW | OAV | CAR | CAQ | 3.6° | 6.1° |
| OAV | CAW | CAY | H10 | 53.9° | 60.0° |
| OAV | CAW | CAY | H11 | 173.9° | 180.0° |
| OAV | CAW | CAY | H12 | 66.0° | 60.0° |
| OAV | CAR | CAS | CAQ | 179.4° | 180.0° |
| OAV | CAR | CAS | CAT | 179.4° | 180.0° |
| OAV | CAR | CAQ | CAP | 178.6° | 180.0° |
| OAV | CAR | CAQ | H7 | 1.4° | 0.0° |
| CAR | OAV | CAW | H9 | 26.0° | 26.2° |
| CLBF | CAZ | CBA | H13 | 0.4° | 0.0° |
| CAR | CAS | CAT | NAU | 0.7° | 0.3° |
| CAS | CAR | CAQ | CAP | 2.0° | 0.0° |
| CAS | CAR | CAQ | H7 | 178.0° | 180.0° |
| CAR | CAS | CAT | H8 | 179.3° | 180.0° |
| CAT | CAS | CAR | CAQ | 1.2° | 0.0° |
| CAS | CAT | NAU | H8 | 180.0° | 179.7° |
| CAS | CAT | NAU | CAP | 0.9° | 0.6° |
| CAR | CAQ | CAP | H7 | 180.0° | 180.0° |
| CAR | CAQ | CAP | NAU | 2.2° | 0.3° |
| CAR | CAQ | CAP | NAN | 179.0° | 180.0° |
| CAT | NAU | CAP | CAQ | 1.6° | 0.6° |
| CAT | NAU | CAP | NAN | 178.6° | 179.7° |
| CAQ | CAP | NAU | NAN | 176.9° | 179.7° |
| CAQ | CAP | NAN | CAL | 32.8° | 174.9° |
| CAQ | CAP | NAN | H16 | 147.3° | 5.1° |
| NAU | CAP | NAN | CAL | 150.4° | 5.4° |
| NAU | CAP | CAQ | H7 | 177.8° | 179.7° |
| CAP | NAU | CAT | H8 | 179.1° | 179.7° |
| NAU | CAP | NAN | H16 | 29.6° | 174.6° |
| CAP | NAN | CAL | OAO | 3.2° | 5.1° |
| CAP | NAN | CAL | H16 | 180.0° | 180.0° |
| CAP | NAN | CAL | NAJ | 177.5° | 174.9° |
| NAN | CAP | CAQ | H7 | 1.0° | 0.0° |
| OAO | CAL | NAN | NAJ | 179.3° | 180.0° |
| OAO | CAL | NAJ | CAE | 179.2° | 0.0° |
| OAO | CAL | NAJ | H15 | 0.7° | 179.9° |
| OAO | CAL | NAN | H16 | 176.8° | 174.9° |
| NAN | CAL | NAJ | CAE | 1.4° | 180.0° |
| NAN | CAL | NAJ | H15 | 178.6° | 0.1° |
| CAL | NAJ | CAE | H15 | 180.0° | 179.9° |
| CAL | NAJ | CAE | NAF | 12.4° | 0.2° |
| CAL | NAJ | CAE | CAD | 167.3° | 180.0° |
| NAJ | CAL | NAN | H16 | 2.6° | 5.1° |
| NAJ | CAE | NAF | CAD | 179.6° | 179.7° |
| NAJ | CAE | NAF | CAA | 179.9° | 179.7° |
| NAJ | CAE | CAD | OAK | 0.1° | 0.0° |
| NAJ | CAE | CAD | CAC | 180.0° | 180.0° |
| NAF | CAE | CAD | OAK | 179.8° | 179.8° |
| CAE | NAF | CAA | CAH | 179.6° | 179.8° |
| CAE | NAF | CAA | CAB | 0.3° | 0.5° |
| NAF | CAE | CAD | CAC | 0.4° | 0.3° |
| NAF | CAE | NAJ | H15 | 167.6° | 179.7° |
| CAA | NAF | CAE | CAD | 0.4° | 0.5° |
| NAF | CAA | CAH | OAI | 94.1° | 89.7° |
| NAF | CAA | CAH | CAB | 179.9° | 179.7° |
| NAF | CAA | CAB | CAC | 0.2° | 0.3° |
| NAF | CAA | CAB | BRAG | 180.0° | 179.7° |
| NAF | CAA | CAH | H2 | 25.9° | 30.3° |
| NAF | CAA | CAH | H3 | 145.9° | 150.3° |
| CAE | CAD | OAK | CAC | 179.8° | 179.9° |
| CAE | CAD | OAK | CAM | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.2° | 0.1° |
| CAE | CAD | CAC | H1 | 179.8° | 180.0° |
| CAD | CAE | NAJ | H15 | 12.7° | 0.0° |
| OAK | CAD | CAC | CAB | 179.9° | 180.0° |
| OAK | CAD | CAC | H1 | 0.1° | 0.1° |
| CAD | OAK | CAM | H4 | 180.0° | 60.0° |
| CAD | OAK | CAM | H5 | 60.0° | 180.0° |
| CAD | OAK | CAM | H6 | 60.0° | 60.0° |
| CAM | OAK | CAD | CAC | 0.2° | 0.1° |
| OAK | CAM | H4 | H5 | 120.0° | 120.0° |
| OAK | CAM | H4 | H6 | 120.0° | 120.0° |
| OAK | CAM | H5 | H6 | 120.0° | 120.0° |
| OAI | CAH | CAA | H2 | 120.0° | 120.0° |
| OAI | CAH | CAA | H3 | 120.0° | 120.0° |
| OAI | CAH | CAA | CAB | 85.8° | 90.0° |
| OAI | CAH | H2 | H3 | 119.9° | 120.1° |
| CAH | CAA | CAB | CAC | 179.7° | 180.0° |
| CAH | CAA | CAB | BRAG | 0.1° | 0.0° |
| CAA | CAH | H2 | H3 | 119.9° | 119.9° |
| CAA | CAH | OAI | H17 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.1° | 0.1° |
| CAA | CAB | CAC | BRAG | 179.8° | 180.0° |
| CAA | CAB | CAC | H1 | 179.9° | 180.0° |
| CAB | CAA | CAH | H2 | 154.2° | 150.0° |
| CAB | CAA | CAH | H3 | 34.2° | 30.0° |
| CAD | CAC | CAB | H1 | 180.0° | 179.9° |
| CAD | CAC | CAB | BRAG | 179.9° | 179.9° |
| BRAG | CAB | CAC | H1 | 0.0° | 0.0° |
| H2 | CAH | OAI | H17 | 60.0° | 60.0° |
| H3 | CAH | OAI | H17 | 60.0° | 60.1° |
| H4 | CAM | H5 | H6 | 120.0° | 120.0° |
| H9 | CAW | CAY | H10 | 63.6° | 60.0° |
| H9 | CAW | CAY | H11 | 56.4° | 60.0° |
| H9 | CAW | CAY | H12 | 176.4° | 180.0° |
| H10 | CAY | H11 | H12 | 120.0° | 120.0° |
