JZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| NAD | OAE | sing | 1.42Å | 1.36Å | |
| NAD | CAJ | doub | 1.30Å | 1.33Å | |
| OAE | CAF | sing | 1.43Å | 1.43Å | |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAP | sing | 1.51Å | 1.53Å | |
| CAI | CAJ | sing | 1.48Å | 1.39Å | |
| CAJ | CAK | sing | 1.48Å | 1.53Å | |
| CAK | OAL | sing | 1.35Å | 1.36Å | |
| CAK | OAN | doub | 1.21Å | 1.23Å | |
| OAL | CAM | sing | 1.45Å | 1.43Å | |
| FAO | CAW | sing | 1.40Å | 1.33Å | |
| CAP | OAQ | sing | 1.43Å | 1.43Å | |
| OAQ | NAR | sing | 1.42Å | 1.36Å | |
| NAR | CAS | doub | 1.29Å | 1.33Å | |
| CAS | CAT | sing | 1.48Å | 1.39Å | |
| CAS | CAY | sing | 1.51Å | 1.53Å | |
| CAT | CAU | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.51Å | 1.53Å | |
| CAV | CBB | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | FAX | sing | 1.40Å | 1.33Å | |
| CAW | FBC | sing | 1.40Å | 1.33Å | |
| CAZ | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAF | HAFB | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAM | HAMB | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CAY | HAYA | sing | 1.09Å | 1.10Å | |
| CAY | HAYB | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CBB | HBB | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAG | 120.1° | 120.3° |
| CAA | CAB | CAC | 119.7° | 120.1° |
| CAB | CAA | HAA | 119.9° | 119.8° |
| CAA | CAB | HAB | 120.2° | 119.9° |
| CAA | CAG | CAH | 120.2° | 120.1° |
| CAG | CAA | HAA | 119.9° | 119.9° |
| CAA | CAG | HAG | 119.9° | 120.0° |
| CAB | CAC | CAI | 120.2° | 119.9° |
| CAC | CAB | HAB | 120.1° | 120.0° |
| CAB | CAC | HAC | 119.9° | 120.0° |
| CAC | CAI | CAH | 120.2° | 119.7° |
| CAC | CAI | CAJ | 119.7° | 120.1° |
| CAI | CAC | HAC | 119.9° | 120.1° |
| OAE | NAD | CAJ | 119.5° | 120.0° |
| NAD | OAE | CAF | 109.5° | 114.0° |
| NAD | CAJ | CAI | 120.7° | 120.0° |
| NAD | CAJ | CAK | 119.9° | 120.0° |
| OAE | CAF | HAF | 109.5° | 109.5° |
| OAE | CAF | HAFA | 109.5° | 109.5° |
| OAE | CAF | HAFB | 109.4° | 109.4° |
| CAG | CAH | CAI | 119.6° | 119.9° |
| CAG | CAH | CAP | 114.7° | 120.1° |
| CAH | CAG | HAG | 119.9° | 119.9° |
| CAI | CAH | CAP | 125.5° | 120.0° |
| CAH | CAI | CAJ | 120.1° | 120.2° |
| CAH | CAP | OAQ | 122.2° | 109.5° |
| CAH | CAP | HAP | 105.4° | 109.5° |
| CAH | CAP | HAPA | 105.5° | 109.5° |
| CAI | CAJ | CAK | 119.4° | 120.0° |
| CAJ | CAK | OAL | 119.3° | 119.9° |
| CAJ | CAK | OAN | 119.5° | 120.0° |
| OAL | CAK | OAN | 121.2° | 120.1° |
| CAK | OAL | CAM | 111.4° | 117.0° |
| OAL | CAM | HAM | 109.5° | 109.4° |
| OAL | CAM | HAMA | 109.5° | 109.4° |
| OAL | CAM | HAMB | 109.5° | 109.5° |
| FAO | CAW | CAV | 110.6° | 109.5° |
| FAO | CAW | FAX | 108.3° | 109.5° |
| FAO | CAW | FBC | 109.1° | 109.4° |
| CAP | OAQ | NAR | 114.9° | 114.0° |
| OAQ | CAP | HAP | 105.5° | 109.4° |
| OAQ | CAP | HAPA | 105.4° | 109.4° |
| OAQ | NAR | CAS | 131.0° | 120.0° |
| NAR | CAS | CAT | 133.5° | 120.0° |
| NAR | CAS | CAY | 108.6° | 120.0° |
| CAT | CAS | CAY | 117.9° | 120.0° |
| CAS | CAT | CAU | 120.7° | 120.1° |
| CAS | CAT | CAZ | 119.4° | 120.2° |
| CAS | CAY | HAY | 109.5° | 109.5° |
| CAS | CAY | HAYA | 109.5° | 109.5° |
| CAS | CAY | HAYB | 109.5° | 109.4° |
| CAU | CAT | CAZ | 119.8° | 119.8° |
| CAT | CAU | CAV | 120.3° | 119.8° |
| CAT | CAU | HAU | 119.9° | 120.1° |
| CAT | CAZ | CBA | 120.4° | 119.8° |
| CAT | CAZ | HAZ | 119.8° | 120.1° |
| CAU | CAV | CAW | 120.3° | 119.9° |
| CAU | CAV | CBB | 119.5° | 120.2° |
| CAV | CAU | HAU | 119.9° | 120.1° |
| CAW | CAV | CBB | 120.2° | 119.9° |
| CAV | CAW | FAX | 111.2° | 109.5° |
| CAV | CAW | FBC | 108.9° | 109.5° |
| CAV | CBB | CBA | 120.6° | 120.3° |
| CAV | CBB | HBB | 119.7° | 119.9° |
| FAX | CAW | FBC | 108.7° | 109.5° |
| CAZ | CBA | CBB | 119.5° | 120.1° |
| CBA | CAZ | HAZ | 119.8° | 120.1° |
| CAZ | CBA | HBA | 120.2° | 119.9° |
| CBB | CBA | HBA | 120.3° | 119.9° |
| CBA | CBB | HBB | 119.7° | 119.8° |
| HAF | CAF | HAFA | 109.4° | 109.5° |
| HAF | CAF | HAFB | 109.5° | 109.5° |
| HAFA | CAF | HAFB | 109.5° | 109.5° |
| HAM | CAM | HAMA | 109.5° | 109.5° |
| HAM | CAM | HAMB | 109.5° | 109.6° |
| HAMA | CAM | HAMB | 109.4° | 109.4° |
| HAP | CAP | HAPA | 113.1° | 109.5° |
| HAY | CAY | HAYA | 109.5° | 109.5° |
| HAY | CAY | HAYB | 109.5° | 109.5° |
| HAYA | CAY | HAYB | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAG | HAA | 180.0° | 179.8° |
| CAA | CAB | CAC | HAB | 180.0° | 179.9° |
| CAA | CAB | CAC | CAI | 0.2° | 0.0° |
| CAB | CAA | CAG | CAH | 0.1° | 0.1° |
| CAA | CAB | CAC | HAC | 179.8° | 180.0° |
| CAB | CAA | CAG | HAG | 179.9° | 179.9° |
| CAG | CAA | CAB | CAC | 0.2° | 0.1° |
| CAA | CAG | CAH | HAG | 180.0° | 180.0° |
| CAA | CAG | CAH | CAI | 0.5° | 0.1° |
| CAA | CAG | CAH | CAP | 175.5° | 179.9° |
| CAG | CAA | CAB | HAB | 179.8° | 180.0° |
| CAB | CAC | CAI | HAC | 180.0° | 180.0° |
| CAB | CAC | CAI | CAH | 0.2° | 0.0° |
| CAB | CAC | CAI | CAJ | 179.8° | 180.0° |
| CAC | CAB | CAA | HAA | 179.8° | 179.8° |
| CAC | CAI | CAJ | NAD | 99.9° | 65.5° |
| CAC | CAI | CAH | CAG | 0.5° | 0.0° |
| CAC | CAI | CAH | CAJ | 179.6° | 180.0° |
| CAC | CAI | CAH | CAP | 175.1° | 180.0° |
| CAC | CAI | CAJ | CAK | 77.8° | 114.5° |
| CAI | CAC | CAB | HAB | 179.8° | 179.9° |
| OAE | NAD | CAJ | CAI | 2.1° | 2.5° |
| OAE | NAD | CAJ | CAK | 179.8° | 177.5° |
| NAD | OAE | CAF | HAF | 180.0° | 60.0° |
| NAD | OAE | CAF | HAFA | 60.0° | 60.0° |
| NAD | OAE | CAF | HAFB | 60.0° | 180.0° |
| CAJ | NAD | OAE | CAF | 179.2° | 180.0° |
| NAD | CAJ | CAI | CAH | 79.7° | 114.5° |
| NAD | CAJ | CAI | CAK | 177.7° | 180.0° |
| NAD | CAJ | CAK | OAL | 13.3° | 5.3° |
| NAD | CAJ | CAK | OAN | 164.9° | 174.7° |
| OAE | CAF | HAF | HAFA | 120.0° | 120.0° |
| OAE | CAF | HAF | HAFB | 120.0° | 119.9° |
| OAE | CAF | HAFA | HAFB | 120.0° | 119.9° |
| CAG | CAH | CAI | CAP | 175.6° | 180.0° |
| CAG | CAH | CAI | CAJ | 179.9° | 179.9° |
| CAG | CAH | CAP | OAQ | 88.0° | 5.4° |
| CAH | CAG | CAA | HAA | 179.9° | 179.7° |
| CAG | CAH | CAP | HAP | 152.0° | 114.6° |
| CAG | CAH | CAP | HAPA | 32.0° | 125.4° |
| CAH | CAI | CAJ | CAK | 102.7° | 65.5° |
| CAI | CAH | CAP | OAQ | 96.2° | 174.6° |
| CAH | CAI | CAC | HAC | 179.8° | 180.0° |
| CAI | CAH | CAG | HAG | 179.5° | 180.0° |
| CAI | CAH | CAP | HAP | 23.8° | 65.4° |
| CAI | CAH | CAP | HAPA | 143.8° | 54.7° |
| CAP | CAH | CAI | CAJ | 4.5° | 0.0° |
| CAH | CAP | OAQ | HAP | 120.0° | 120.0° |
| CAH | CAP | OAQ | HAPA | 120.0° | 120.0° |
| CAH | CAP | OAQ | NAR | 75.7° | 179.5° |
| CAP | CAH | CAG | HAG | 4.4° | 0.0° |
| CAH | CAP | HAP | HAPA | 114.8° | 120.1° |
| CAI | CAJ | CAK | OAL | 169.0° | 174.7° |
| CAI | CAJ | CAK | OAN | 12.8° | 5.3° |
| CAJ | CAI | CAC | HAC | 0.2° | 0.0° |
| CAJ | CAK | OAL | OAN | 178.1° | 180.0° |
| CAJ | CAK | OAL | CAM | 179.3° | 180.0° |
| CAK | OAL | CAM | HAM | 180.0° | 180.0° |
| CAK | OAL | CAM | HAMA | 60.0° | 60.0° |
| CAK | OAL | CAM | HAMB | 60.0° | 60.0° |
| OAN | CAK | OAL | CAM | 2.5° | 0.0° |
| OAL | CAM | HAM | HAMA | 120.0° | 120.0° |
| OAL | CAM | HAM | HAMB | 120.0° | 120.0° |
| OAL | CAM | HAMA | HAMB | 120.0° | 119.9° |
| FAO | CAW | CAV | CAU | 57.3° | 94.2° |
| FAO | CAW | CAV | FAX | 120.4° | 120.0° |
| FAO | CAW | CAV | FBC | 119.9° | 120.0° |
| FAO | CAW | CAV | CBB | 123.9° | 85.8° |
| FAO | CAW | FAX | FBC | 118.4° | 120.0° |
| CAP | OAQ | NAR | CAS | 141.5° | 174.7° |
| OAQ | CAP | HAP | HAPA | 114.8° | 119.9° |
| OAQ | NAR | CAS | CAT | 0.4° | 6.0° |
| OAQ | NAR | CAS | CAY | 180.0° | 174.0° |
| NAR | OAQ | CAP | HAP | 164.3° | 60.5° |
| NAR | OAQ | CAP | HAPA | 44.3° | 59.5° |
| NAR | CAS | CAT | CAY | 179.6° | 179.9° |
| NAR | CAS | CAT | CAU | 22.5° | 144.9° |
| NAR | CAS | CAT | CAZ | 160.2° | 35.3° |
| NAR | CAS | CAY | HAY | 180.0° | 90.0° |
| NAR | CAS | CAY | HAYA | 60.0° | 150.0° |
| NAR | CAS | CAY | HAYB | 60.0° | 30.0° |
| CAS | CAT | CAU | CAZ | 177.4° | 179.8° |
| CAS | CAT | CAU | CAV | 177.2° | 179.9° |
| CAS | CAT | CAZ | CBA | 177.3° | 180.0° |
| CAS | CAT | CAU | HAU | 2.8° | 0.0° |
| CAT | CAS | CAY | HAY | 0.3° | 89.9° |
| CAT | CAS | CAY | HAYA | 119.7° | 30.1° |
| CAT | CAS | CAY | HAYB | 120.3° | 150.1° |
| CAS | CAT | CAZ | HAZ | 2.7° | 0.1° |
| CAY | CAS | CAT | CAU | 157.2° | 35.2° |
| CAY | CAS | CAT | CAZ | 20.2° | 144.6° |
| CAS | CAY | HAY | HAYA | 120.0° | 120.1° |
| CAS | CAY | HAY | HAYB | 120.0° | 120.0° |
| CAS | CAY | HAYA | HAYB | 120.0° | 120.0° |
| CAT | CAU | CAV | HAU | 180.0° | 179.9° |
| CAT | CAU | CAV | CAW | 178.8° | 180.0° |
| CAT | CAU | CAV | CBB | 0.0° | 0.1° |
| CAU | CAT | CAZ | CBA | 0.2° | 0.3° |
| CAU | CAT | CAZ | HAZ | 179.8° | 179.7° |
| CAZ | CAT | CAU | CAV | 0.1° | 0.3° |
| CAT | CAZ | CBA | HAZ | 180.0° | 179.9° |
| CAT | CAZ | CBA | CBB | 0.0° | 0.0° |
| CAZ | CAT | CAU | HAU | 179.8° | 179.8° |
| CAT | CAZ | CBA | HBA | 180.0° | 180.0° |
| CAU | CAV | CAW | CBB | 178.8° | 179.9° |
| CAU | CAV | CAW | FAX | 177.7° | 25.8° |
| CAU | CAV | CAW | FBC | 62.6° | 145.8° |
| CAU | CAV | CBB | CBA | 0.1° | 0.1° |
| CAU | CAV | CBB | HBB | 179.9° | 180.0° |
| CAV | CAW | FAX | FBC | 119.8° | 120.0° |
| CAW | CAV | CBB | CBA | 178.7° | 179.8° |
| CAW | CAV | CAU | HAU | 1.2° | 0.0° |
| CAW | CAV | CBB | HBB | 1.3° | 0.1° |
| CBB | CAV | CAW | FAX | 3.5° | 154.2° |
| CBB | CAV | CAW | FBC | 116.2° | 34.2° |
| CAV | CBB | CBA | CAZ | 0.1° | 0.2° |
| CAV | CBB | CBA | HBB | 180.0° | 179.9° |
| CBB | CAV | CAU | HAU | 180.0° | 180.0° |
| CAV | CBB | CBA | HBA | 179.9° | 179.8° |
| CAZ | CBA | CBB | HBA | 180.0° | 179.9° |
| CAZ | CBA | CBB | HBB | 179.9° | 180.0° |
| CBB | CBA | CAZ | HAZ | 180.0° | 179.9° |
| HAA | CAA | CAB | HAB | 0.2° | 0.1° |
| HAA | CAA | CAG | HAG | 0.1° | 0.2° |
| HAB | CAB | CAC | HAC | 0.2° | 0.1° |
| HAF | CAF | HAFA | HAFB | 120.0° | 120.0° |
| HAM | CAM | HAMA | HAMB | 120.0° | 120.1° |
| HAY | CAY | HAYA | HAYB | 120.0° | 120.0° |
| HAZ | CAZ | CBA | HBA | 0.0° | 0.1° |
| HBA | CBA | CBB | HBB | 0.1° | 0.1° |
