VGB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBA | CAN | sing | 1.53Å | 1.52Å | |
| CAN | CAL | sing | 1.51Å | 1.55Å | |
| CAL | OAM | doub | 1.21Å | 1.24Å | |
| CAL | NAK | sing | 1.35Å | 1.32Å | |
| NAK | CAC | sing | 1.47Å | 1.47Å | |
| CAC | CAB | sing | 1.53Å | 1.51Å | |
| CAC | CAD | sing | 1.51Å | 1.53Å | |
| CAB | OAG | sing | 1.43Å | 1.41Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAA | OAH | sing | 1.43Å | 1.43Å | |
| CAA | CAF | sing | 1.53Å | 1.52Å | |
| CAF | CAI | sing | 1.53Å | 1.54Å | |
| CAF | NAE | sing | 1.47Å | 1.46Å | |
| CAI | OAJ | sing | 1.43Å | 1.41Å | |
| NAE | CAQ | sing | 1.34Å | 1.31Å | Aromatic |
| NAE | CAD | doub | 1.31Å | 1.40Å | Aromatic |
| CAQ | CAP | doub | 1.35Å | 1.34Å | Aromatic |
| CAD | NAO | sing | 1.35Å | 1.31Å | Aromatic |
| NAO | CAP | sing | 1.37Å | 1.32Å | Aromatic |
| CAP | CAR | sing | 1.51Å | 1.54Å | |
| CAR | CAS | sing | 1.53Å | 1.53Å | |
| CAS | CAT | sing | 1.51Å | 1.54Å | |
| CAT | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAY | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBA | HBAA | sing | 1.09Å | 1.10Å | |
| CBA | HBAB | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| NAK | HNAK | sing | 0.97Å | 1.00Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| OAJ | HOAJ | sing | 0.97Å | 0.95Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | CAN | CAL | 115.5° | 109.5° |
| CAN | CBA | HBA | 109.5° | 109.4° |
| CAN | CBA | HBAA | 109.5° | 109.4° |
| CAN | CBA | HBAB | 109.5° | 109.5° |
| CBA | CAN | HAN | 107.5° | 109.4° |
| CBA | CAN | HANA | 106.1° | 109.5° |
| CAN | CAL | OAM | 124.7° | 120.0° |
| CAN | CAL | NAK | 112.0° | 120.0° |
| CAL | CAN | HAN | 107.5° | 109.5° |
| CAL | CAN | HANA | 106.1° | 109.4° |
| OAM | CAL | NAK | 123.3° | 120.0° |
| CAL | NAK | CAC | 122.3° | 120.0° |
| CAL | NAK | HNAK | 118.9° | 120.0° |
| NAK | CAC | CAB | 110.1° | 109.7° |
| NAK | CAC | CAD | 113.7° | 109.7° |
| CAC | NAK | HNAK | 118.8° | 120.0° |
| NAK | CAC | HAC | 107.1° | 109.7° |
| CAB | CAC | CAD | 112.1° | 108.4° |
| CAC | CAB | OAG | 105.2° | 109.6° |
| CAC | CAB | CAA | 111.3° | 108.8° |
| CAB | CAC | HAC | 108.8° | 109.7° |
| CAC | CAB | HAB | 111.8° | 109.5° |
| CAC | CAD | NAE | 122.9° | 124.8° |
| CAC | CAD | NAO | 129.7° | 126.4° |
| CAD | CAC | HAC | 104.8° | 109.7° |
| OAG | CAB | CAA | 111.5° | 109.6° |
| OAG | CAB | HAB | 111.6° | 109.6° |
| CAB | OAG | HOAG | 109.5° | 114.0° |
| CAB | CAA | OAH | 107.1° | 109.5° |
| CAB | CAA | CAF | 107.6° | 109.3° |
| CAA | CAB | HAB | 105.6° | 109.7° |
| CAB | CAA | HAA | 113.1° | 109.5° |
| OAH | CAA | CAF | 111.9° | 109.5° |
| OAH | CAA | HAA | 108.9° | 109.5° |
| CAA | OAH | HOAH | 109.5° | 114.0° |
| CAA | CAF | CAI | 117.3° | 109.6° |
| CAA | CAF | NAE | 104.3° | 109.1° |
| CAF | CAA | HAA | 108.4° | 109.5° |
| CAA | CAF | HAF | 107.8° | 109.5° |
| CAI | CAF | NAE | 109.3° | 109.5° |
| CAF | CAI | OAJ | 108.9° | 109.5° |
| CAI | CAF | HAF | 102.6° | 109.5° |
| CAF | CAI | HAI | 109.6° | 109.4° |
| CAF | CAI | HAIA | 109.8° | 109.5° |
| CAF | NAE | CAQ | 132.8° | 126.1° |
| CAF | NAE | CAD | 120.2° | 124.8° |
| NAE | CAF | HAF | 116.0° | 109.6° |
| OAJ | CAI | HAI | 109.6° | 109.5° |
| OAJ | CAI | HAIA | 109.8° | 109.5° |
| CAI | OAJ | HOAJ | 109.5° | 114.1° |
| CAQ | NAE | CAD | 107.1° | 109.1° |
| NAE | CAQ | CAP | 107.6° | 108.1° |
| NAE | CAQ | HAQ | 126.2° | 126.0° |
| NAE | CAD | NAO | 107.2° | 108.8° |
| CAQ | CAP | NAO | 109.7° | 106.9° |
| CAQ | CAP | CAR | 126.5° | 126.5° |
| CAP | CAQ | HAQ | 126.2° | 125.9° |
| CAD | NAO | CAP | 108.5° | 107.2° |
| CAD | NAO | HNAO | 125.8° | 126.4° |
| NAO | CAP | CAR | 123.8° | 126.6° |
| CAP | NAO | HNAO | 125.8° | 126.5° |
| CAP | CAR | CAS | 109.8° | 109.5° |
| CAP | CAR | HAR | 109.4° | 109.5° |
| CAP | CAR | HARA | 109.3° | 109.5° |
| CAR | CAS | CAT | 113.0° | 109.5° |
| CAS | CAR | HAR | 109.4° | 109.4° |
| CAS | CAR | HARA | 109.3° | 109.5° |
| CAR | CAS | HAS | 108.3° | 109.4° |
| CAR | CAS | HASA | 107.5° | 109.5° |
| CAS | CAT | CAU | 119.6° | 120.0° |
| CAS | CAT | CAY | 120.0° | 120.0° |
| CAT | CAS | HAS | 108.3° | 109.5° |
| CAT | CAS | HASA | 107.5° | 109.5° |
| CAU | CAT | CAY | 120.4° | 120.0° |
| CAT | CAU | CAV | 120.3° | 120.0° |
| CAT | CAU | HAU | 119.9° | 120.0° |
| CAT | CAY | CAX | 119.6° | 120.0° |
| CAT | CAY | HAY | 120.2° | 120.0° |
| CAU | CAV | CAW | 118.6° | 120.0° |
| CAV | CAU | HAU | 119.9° | 120.0° |
| CAU | CAV | HAV | 120.7° | 120.0° |
| CAV | CAW | CAX | 121.8° | 120.0° |
| CAW | CAV | HAV | 120.7° | 120.0° |
| CAV | CAW | HAW | 119.1° | 120.0° |
| CAW | CAX | CAY | 119.3° | 120.0° |
| CAX | CAW | HAW | 119.1° | 120.0° |
| CAW | CAX | HAX | 120.4° | 120.0° |
| CAY | CAX | HAX | 120.4° | 120.0° |
| CAX | CAY | HAY | 120.2° | 120.0° |
| HBA | CBA | HBAA | 109.4° | 109.5° |
| HBA | CBA | HBAB | 109.5° | 109.5° |
| HBAA | CBA | HBAB | 109.5° | 109.5° |
| HAN | CAN | HANA | 114.3° | 109.5° |
| HAI | CAI | HAIA | 109.1° | 109.5° |
| HAR | CAR | HARA | 109.7° | 109.4° |
| HAS | CAS | HASA | 112.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBA | CAN | CAL | HAN | 120.0° | 120.0° |
| CBA | CAN | CAL | HANA | 117.3° | 120.1° |
| CBA | CAN | CAL | OAM | 3.0° | 0.0° |
| CBA | CAN | CAL | NAK | 176.6° | 180.0° |
| CAN | CBA | HBA | HBAA | 120.0° | 119.9° |
| CAN | CBA | HBA | HBAB | 120.0° | 120.1° |
| CAN | CBA | HBAA | HBAB | 120.0° | 120.0° |
| CBA | CAN | HAN | HANA | 117.6° | 120.1° |
| CAN | CAL | OAM | NAK | 179.6° | 179.9° |
| CAN | CAL | NAK | CAC | 179.4° | 180.0° |
| CAL | CAN | CBA | HBA | 86.5° | 60.0° |
| CAL | CAN | CBA | HBAA | 153.5° | 180.0° |
| CAL | CAN | CBA | HBAB | 33.5° | 60.0° |
| CAL | CAN | HAN | HANA | 117.5° | 120.0° |
| CAN | CAL | NAK | HNAK | 0.6° | 0.0° |
| OAM | CAL | NAK | CAC | 1.0° | 0.1° |
| OAM | CAL | CAN | HAN | 117.0° | 119.9° |
| OAM | CAL | CAN | HANA | 120.3° | 120.1° |
| OAM | CAL | NAK | HNAK | 179.0° | 180.0° |
| CAL | NAK | CAC | HNAK | 180.0° | 180.0° |
| CAL | NAK | CAC | CAB | 67.9° | 155.0° |
| CAL | NAK | CAC | CAD | 58.8° | 86.1° |
| NAK | CAL | CAN | HAN | 63.4° | 60.0° |
| NAK | CAL | CAN | HANA | 59.3° | 60.0° |
| CAL | NAK | CAC | HAC | 174.0° | 34.5° |
| NAK | CAC | CAB | CAD | 127.6° | 119.7° |
| NAK | CAC | CAB | HAC | 117.0° | 120.5° |
| NAK | CAC | CAD | HAC | 116.5° | 120.5° |
| NAK | CAC | CAB | OAG | 86.1° | 72.4° |
| NAK | CAC | CAB | CAA | 153.1° | 167.8° |
| NAK | CAC | CAD | NAE | 120.2° | 135.5° |
| NAK | CAC | CAD | NAO | 65.5° | 44.5° |
| NAK | CAC | CAB | HAB | 35.3° | 47.9° |
| CAB | CAC | CAD | HAC | 117.8° | 119.8° |
| CAC | CAB | OAG | CAA | 120.7° | 119.3° |
| CAC | CAB | OAG | HAB | 121.5° | 120.2° |
| CAC | CAB | CAA | HAB | 121.5° | 119.8° |
| CAC | CAB | CAA | OAH | 174.2° | 171.8° |
| CAC | CAB | CAA | CAF | 65.4° | 68.3° |
| CAB | CAC | CAD | NAE | 5.4° | 15.8° |
| CAB | CAC | CAD | NAO | 168.9° | 164.2° |
| CAB | CAC | NAK | HNAK | 112.1° | 25.0° |
| CAC | CAB | OAG | HOAG | 153.4° | 179.9° |
| CAC | CAB | CAA | HAA | 54.3° | 51.7° |
| CAD | CAC | CAB | OAG | 146.4° | 167.9° |
| CAD | CAC | CAB | CAA | 25.5° | 48.1° |
| CAC | CAD | NAE | CAF | 2.9° | 0.0° |
| CAC | CAD | NAE | CAQ | 177.1° | 179.9° |
| CAC | CAD | NAE | NAO | 175.4° | 180.0° |
| CAC | CAD | NAO | CAP | 176.6° | 180.0° |
| CAD | CAC | NAK | HNAK | 121.2° | 94.0° |
| CAD | CAC | CAB | HAB | 92.3° | 71.8° |
| CAC | CAD | NAO | HNAO | 3.3° | 0.0° |
| OAG | CAB | CAA | HAB | 121.4° | 120.4° |
| OAG | CAB | CAA | OAH | 57.1° | 52.0° |
| OAG | CAB | CAA | CAF | 177.6° | 172.0° |
| OAG | CAB | CAC | HAC | 30.9° | 48.1° |
| OAG | CAB | CAA | HAA | 62.8° | 68.1° |
| CAB | CAA | OAH | CAF | 117.6° | 119.8° |
| CAB | CAA | OAH | HAA | 122.6° | 120.1° |
| CAB | CAA | CAF | HAA | 122.6° | 119.9° |
| CAB | CAA | CAF | CAI | 168.4° | 170.0° |
| CAB | CAA | CAF | NAE | 70.5° | 50.2° |
| CAA | CAB | CAC | HAC | 89.9° | 71.7° |
| CAA | CAB | OAG | HOAG | 85.9° | 60.6° |
| CAB | CAA | OAH | HOAH | 26.0° | 60.1° |
| CAB | CAA | CAF | HAF | 53.3° | 69.8° |
| OAH | CAA | CAF | HAA | 120.0° | 120.1° |
| OAH | CAA | CAF | CAI | 51.1° | 70.0° |
| OAH | CAA | CAF | NAE | 172.2° | 170.1° |
| OAH | CAA | CAB | HAB | 64.3° | 68.4° |
| OAH | CAA | CAF | HAF | 64.0° | 50.1° |
| CAA | CAF | CAI | NAE | 118.4° | 119.6° |
| CAA | CAF | CAI | HAF | 117.9° | 120.2° |
| CAA | CAF | NAE | HAF | 118.4° | 119.9° |
| CAA | CAF | CAI | OAJ | 49.0° | 175.0° |
| CAA | CAF | NAE | CAQ | 140.0° | 162.6° |
| CAA | CAF | NAE | CAD | 40.0° | 17.3° |
| CAF | CAA | CAB | HAB | 56.1° | 51.6° |
| CAF | CAA | OAH | HOAH | 91.6° | 179.8° |
| CAA | CAF | CAI | HAI | 169.0° | 55.0° |
| CAA | CAF | CAI | HAIA | 71.3° | 65.0° |
| CAI | CAF | NAE | HAF | 115.3° | 120.2° |
| CAF | CAI | OAJ | HAI | 120.0° | 120.0° |
| CAF | CAI | OAJ | HAIA | 120.2° | 120.0° |
| CAI | CAF | NAE | CAQ | 13.7° | 42.7° |
| CAI | CAF | NAE | CAD | 166.3° | 137.3° |
| CAI | CAF | CAA | HAA | 69.0° | 50.1° |
| CAF | CAI | HAI | HAIA | 120.2° | 120.0° |
| CAF | CAI | OAJ | HOAJ | 127.9° | 180.0° |
| NAE | CAF | CAI | OAJ | 69.5° | 65.4° |
| CAF | NAE | CAQ | CAD | 180.0° | 179.9° |
| CAF | NAE | CAQ | CAP | 179.0° | 179.9° |
| CAF | NAE | CAD | NAO | 178.3° | 180.0° |
| NAE | CAF | CAA | HAA | 52.1° | 69.8° |
| NAE | CAF | CAI | HAI | 50.5° | 174.6° |
| NAE | CAF | CAI | HAIA | 170.3° | 54.6° |
| CAF | NAE | CAQ | HAQ | 1.0° | 0.0° |
| OAJ | CAI | CAF | HAF | 166.9° | 54.8° |
| OAJ | CAI | HAI | HAIA | 120.2° | 120.0° |
| NAE | CAQ | CAP | HAQ | 180.0° | 179.9° |
| CAQ | NAE | CAD | NAO | 1.7° | 0.1° |
| NAE | CAQ | CAP | NAO | 0.1° | 0.1° |
| NAE | CAQ | CAP | CAR | 178.4° | 180.0° |
| CAQ | NAE | CAF | HAF | 101.6° | 77.5° |
| CAD | NAE | CAQ | CAP | 1.1° | 0.1° |
| NAE | CAD | NAO | CAP | 1.6° | 0.0° |
| NAE | CAD | CAC | HAC | 123.2° | 104.0° |
| CAD | NAE | CAF | HAF | 78.4° | 102.6° |
| CAD | NAE | CAQ | HAQ | 179.0° | 180.0° |
| NAE | CAD | NAO | HNAO | 178.3° | 180.0° |
| CAQ | CAP | NAO | CAD | 1.0° | 0.1° |
| CAQ | CAP | NAO | CAR | 178.4° | 179.9° |
| CAQ | CAP | CAR | CAS | 133.2° | 85.0° |
| CAQ | CAP | NAO | HNAO | 179.0° | 179.9° |
| CAQ | CAP | CAR | HAR | 106.8° | 155.1° |
| CAQ | CAP | CAR | HARA | 13.3° | 35.1° |
| CAD | NAO | CAP | HNAO | 180.0° | 180.0° |
| CAD | NAO | CAP | CAR | 177.3° | 180.0° |
| NAO | CAD | CAC | HAC | 51.1° | 76.1° |
| NAO | CAP | CAR | CAS | 48.7° | 94.9° |
| NAO | CAP | CAQ | HAQ | 180.0° | 180.0° |
| NAO | CAP | CAR | HAR | 71.3° | 25.0° |
| NAO | CAP | CAR | HARA | 168.6° | 145.0° |
| CAP | CAR | CAS | HAR | 120.0° | 120.0° |
| CAP | CAR | CAS | HARA | 119.9° | 120.0° |
| CAP | CAR | CAS | CAT | 77.7° | 180.0° |
| CAR | CAP | CAQ | HAQ | 1.6° | 0.1° |
| CAR | CAP | NAO | HNAO | 2.7° | 0.0° |
| CAP | CAR | HAR | HARA | 119.9° | 120.0° |
| CAP | CAR | CAS | HAS | 42.3° | 60.0° |
| CAP | CAR | CAS | HASA | 163.9° | 60.0° |
| CAR | CAS | CAT | HAS | 120.0° | 120.0° |
| CAR | CAS | CAT | HASA | 118.5° | 120.0° |
| CAR | CAS | CAT | CAU | 69.9° | 90.0° |
| CAR | CAS | CAT | CAY | 111.3° | 90.3° |
| CAS | CAR | HAR | HARA | 119.9° | 120.0° |
| CAR | CAS | HAS | HASA | 118.6° | 120.0° |
| CAS | CAT | CAU | CAY | 178.9° | 179.7° |
| CAS | CAT | CAU | CAV | 178.1° | 180.0° |
| CAS | CAT | CAY | CAX | 178.2° | 179.8° |
| CAT | CAS | CAR | HAR | 162.3° | 60.0° |
| CAT | CAS | CAR | HARA | 42.2° | 60.0° |
| CAT | CAS | HAS | HASA | 118.6° | 120.0° |
| CAS | CAT | CAU | HAU | 2.0° | 0.1° |
| CAS | CAT | CAY | HAY | 1.9° | 0.0° |
| CAT | CAU | CAV | HAU | 180.0° | 179.8° |
| CAT | CAU | CAV | CAW | 0.5° | 0.1° |
| CAU | CAT | CAY | CAX | 0.7° | 0.5° |
| CAU | CAT | CAS | HAS | 170.1° | 29.9° |
| CAU | CAT | CAS | HASA | 48.6° | 149.9° |
| CAT | CAU | CAV | HAV | 179.5° | 179.9° |
| CAU | CAT | CAY | HAY | 179.3° | 179.7° |
| CAY | CAT | CAU | CAV | 0.8° | 0.4° |
| CAT | CAY | CAX | CAW | 0.3° | 0.4° |
| CAT | CAY | CAX | HAY | 180.0° | 179.8° |
| CAY | CAT | CAS | HAS | 8.7° | 149.7° |
| CAY | CAT | CAS | HASA | 130.3° | 29.7° |
| CAY | CAT | CAU | HAU | 179.2° | 179.8° |
| CAT | CAY | CAX | HAX | 179.7° | 179.7° |
| CAU | CAV | CAW | HAV | 180.0° | 179.9° |
| CAU | CAV | CAW | CAX | 0.2° | 0.0° |
| CAU | CAV | CAW | HAW | 179.8° | 180.0° |
| CAV | CAW | CAX | HAW | 180.0° | 180.0° |
| CAV | CAW | CAX | CAY | 0.1° | 0.2° |
| CAW | CAV | CAU | HAU | 179.4° | 180.0° |
| CAV | CAW | CAX | HAX | 180.0° | 180.0° |
| CAW | CAX | CAY | HAX | 180.0° | 179.9° |
| CAX | CAW | CAV | HAV | 179.8° | 180.0° |
| CAW | CAX | CAY | HAY | 179.7° | 179.8° |
| CAY | CAX | CAW | HAW | 179.9° | 179.8° |
| HBA | CBA | HBAA | HBAB | 120.0° | 120.0° |
| HBA | CBA | CAN | HAN | 153.5° | 180.0° |
| HBA | CBA | CAN | HANA | 30.8° | 60.0° |
| HBAA | CBA | CAN | HAN | 33.5° | 60.0° |
| HBAA | CBA | CAN | HANA | 89.2° | 60.0° |
| HBAB | CBA | CAN | HAN | 86.5° | 60.0° |
| HBAB | CBA | CAN | HANA | 150.8° | 180.0° |
| HNAK | NAK | CAC | HAC | 6.0° | 145.5° |
| HAC | CAC | CAB | HAB | 152.3° | 168.4° |
| HAB | CAB | OAG | HOAG | 31.9° | 59.8° |
| HAB | CAB | CAA | HAA | 175.8° | 171.5° |
| HAA | CAA | OAH | HOAH | 148.6° | 60.0° |
| HAA | CAA | CAF | HAF | 176.0° | 170.3° |
| HAF | CAF | CAI | HAI | 73.1° | 65.2° |
| HAF | CAF | CAI | HAIA | 46.7° | 174.8° |
| HAI | CAI | OAJ | HOAJ | 112.1° | 60.0° |
| HAIA | CAI | OAJ | HOAJ | 7.7° | 60.0° |
| HAR | CAR | CAS | HAS | 77.7° | 180.0° |
| HAR | CAR | CAS | HASA | 43.8° | 60.0° |
| HARA | CAR | CAS | HAS | 162.2° | 60.0° |
| HARA | CAR | CAS | HASA | 76.3° | 180.0° |
| HAU | CAU | CAV | HAV | 0.5° | 0.1° |
| HAV | CAV | CAW | HAW | 0.2° | 0.0° |
| HAW | CAW | CAX | HAX | 0.1° | 0.0° |
| HAX | CAX | CAY | HAY | 0.3° | 0.1° |
