V12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAV | doub | 1.22Å | 1.23Å | |
| CAV | NAO | sing | 1.33Å | 1.34Å | |
| CAV | NBD | sing | 1.35Å | 1.42Å | |
| NAO | CAT | doub | 1.33Å | 1.34Å | |
| CAT | NAA | sing | 1.38Å | 1.33Å | |
| CAT | CAF | sing | 1.41Å | 1.39Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAF | CAG | doub | 1.35Å | 1.39Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAG | NBD | sing | 1.36Å | 1.41Å | |
| NBD | CBC | sing | 1.47Å | 1.50Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CBC | OAS | sing | 1.44Å | 1.48Å | |
| CBC | CBA | sing | 1.55Å | 1.54Å | |
| OAS | CB0 | sing | 1.44Å | 1.42Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBA | OAE | sing | 1.43Å | 1.44Å | |
| CBA | CAZ | sing | 1.55Å | 1.53Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| CAZ | OAD | sing | 1.43Å | 1.43Å | |
| CAZ | CB0 | sing | 1.55Å | 1.52Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CB0 | CAN | sing | 1.53Å | 1.53Å | |
| CB0 | HB0 | sing | 1.09Å | 1.10Å | |
| CAN | NAQ | sing | 1.46Å | 1.47Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| NAQ | CAU | sing | 1.35Å | 1.34Å | |
| NAQ | HAQ | sing | 0.97Å | 1.00Å | |
| CAU | OAB | doub | 1.21Å | 1.23Å | |
| CAU | CAL | sing | 1.51Å | 1.53Å | |
| CAL | CA0 | sing | 1.51Å | 1.54Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CA0 | NAR | doub | 1.30Å | 1.33Å | Aromatic |
| CA0 | NAP | sing | 1.36Å | 1.34Å | Aromatic |
| NAR | CAY | sing | 1.36Å | 1.33Å | Aromatic |
| CAY | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAY | CAX | doub | 1.41Å | 1.39Å | Aromatic |
| CAK | CAI | doub | 1.37Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAX | NAP | sing | 1.38Å | 1.33Å | Aromatic |
| NAP | HAP | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAV | NAO | 118.5° | 119.5° |
| OAC | CAV | NBD | 122.6° | 119.5° |
| NAO | CAV | NBD | 118.9° | 121.1° |
| CAV | NAO | CAT | 122.6° | 120.7° |
| CAV | NBD | CAG | 118.9° | 120.4° |
| CAV | NBD | CBC | 124.0° | 119.9° |
| NAO | CAT | NAA | 120.5° | 120.2° |
| NAO | CAT | CAF | 120.8° | 119.6° |
| NAA | CAT | CAF | 118.7° | 120.2° |
| CAT | NAA | HAA1 | 109.5° | 120.0° |
| CAT | NAA | HAA2 | 109.5° | 120.0° |
| CAT | CAF | HAF | 120.5° | 120.5° |
| CAT | CAF | CAG | 119.0° | 119.0° |
| HAA1 | NAA | HAA2 | 109.4° | 120.0° |
| HAF | CAF | CAG | 120.5° | 120.5° |
| CAF | CAG | HAG | 120.2° | 120.4° |
| CAF | CAG | NBD | 119.7° | 119.3° |
| HAG | CAG | NBD | 120.2° | 120.4° |
| CAG | NBD | CBC | 117.1° | 119.8° |
| NBD | CBC | HBC | 108.6° | 110.4° |
| NBD | CBC | OAS | 105.3° | 110.3° |
| NBD | CBC | CBA | 113.7° | 110.4° |
| HBC | CBC | OAS | 115.4° | 110.4° |
| HBC | CBC | CBA | 107.2° | 110.4° |
| OAS | CBC | CBA | 106.7° | 104.9° |
| CBC | OAS | CB0 | 108.6° | 105.2° |
| CBC | CBA | HBA | 113.0° | 110.5° |
| CBC | CBA | OAE | 110.4° | 110.5° |
| CBC | CBA | CAZ | 104.1° | 104.1° |
| OAS | CB0 | CAZ | 105.4° | 104.8° |
| OAS | CB0 | CAN | 107.1° | 110.4° |
| OAS | CB0 | HB0 | 112.5° | 110.3° |
| HBA | CBA | OAE | 106.0° | 110.5° |
| HBA | CBA | CAZ | 112.1° | 110.5° |
| OAE | CBA | CAZ | 111.4° | 110.6° |
| CBA | OAE | HAE | 109.5° | 114.0° |
| CBA | CAZ | HAZ | 111.9° | 110.5° |
| CBA | CAZ | OAD | 109.8° | 110.5° |
| CBA | CAZ | CB0 | 105.0° | 104.0° |
| HAZ | CAZ | OAD | 108.5° | 110.5° |
| HAZ | CAZ | CB0 | 113.0° | 110.5° |
| OAD | CAZ | CB0 | 108.6° | 110.6° |
| CAZ | OAD | HAD | 109.5° | 114.0° |
| CAZ | CB0 | CAN | 106.2° | 110.5° |
| CAZ | CB0 | HB0 | 113.3° | 110.3° |
| CAN | CB0 | HB0 | 111.8° | 110.4° |
| CB0 | CAN | NAQ | 111.8° | 109.5° |
| CB0 | CAN | HAN1 | 108.7° | 109.5° |
| CB0 | CAN | HAN2 | 108.2° | 109.4° |
| NAQ | CAN | HAN1 | 108.7° | 109.5° |
| NAQ | CAN | HAN2 | 108.2° | 109.5° |
| CAN | NAQ | CAU | 123.5° | 120.0° |
| CAN | NAQ | HAQ | 118.3° | 120.0° |
| HAN1 | CAN | HAN2 | 111.3° | 109.5° |
| CAU | NAQ | HAQ | 118.3° | 120.0° |
| NAQ | CAU | OAB | 124.6° | 120.0° |
| NAQ | CAU | CAL | 114.3° | 120.0° |
| OAB | CAU | CAL | 121.1° | 120.0° |
| CAU | CAL | CA0 | 112.6° | 109.5° |
| CAU | CAL | HAL1 | 108.4° | 109.4° |
| CAU | CAL | HAL2 | 107.7° | 109.5° |
| CA0 | CAL | HAL1 | 108.4° | 109.5° |
| CA0 | CAL | HAL2 | 107.7° | 109.5° |
| CAL | CA0 | NAR | 124.4° | 124.9° |
| CAL | CA0 | NAP | 126.8° | 124.9° |
| HAL1 | CAL | HAL2 | 112.0° | 109.5° |
| NAR | CA0 | NAP | 108.8° | 110.1° |
| CA0 | NAR | CAY | 108.6° | 109.6° |
| CA0 | NAP | CAX | 108.4° | 107.3° |
| CA0 | NAP | HAP | 125.8° | 126.4° |
| NAR | CAY | CAK | 132.6° | 133.6° |
| NAR | CAY | CAX | 107.0° | 106.9° |
| CAK | CAY | CAX | 120.4° | 119.5° |
| CAY | CAK | CAI | 119.6° | 119.9° |
| CAY | CAK | HAK | 120.2° | 120.1° |
| CAY | CAX | CAJ | 120.1° | 119.8° |
| CAY | CAX | NAP | 107.1° | 106.0° |
| CAI | CAK | HAK | 120.2° | 120.1° |
| CAK | CAI | CAH | 120.1° | 120.6° |
| CAK | CAI | HAI | 120.0° | 119.7° |
| CAH | CAI | HAI | 120.0° | 119.7° |
| CAI | CAH | CAJ | 120.1° | 120.5° |
| CAI | CAH | HAH | 119.9° | 119.8° |
| CAJ | CAH | HAH | 120.0° | 119.7° |
| CAH | CAJ | CAX | 119.7° | 119.7° |
| CAH | CAJ | HAJ | 120.2° | 120.2° |
| CAX | CAJ | HAJ | 120.1° | 120.2° |
| CAJ | CAX | NAP | 132.8° | 134.1° |
| CAX | NAP | HAP | 125.8° | 126.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAV | NAO | NBD | 179.8° | 179.7° |
| OAC | CAV | NAO | CAT | 179.6° | 179.9° |
| OAC | CAV | NBD | CAG | 179.4° | 179.8° |
| OAC | CAV | NBD | CBC | 0.1° | 0.1° |
| CAV | NAO | CAT | NAA | 179.9° | 180.0° |
| CAV | NAO | CAT | CAF | 0.1° | 0.1° |
| NAO | CAV | NBD | CAG | 0.4° | 0.5° |
| NAO | CAV | NBD | CBC | 180.0° | 179.7° |
| NBD | CAV | NAO | CAT | 0.2° | 0.3° |
| CAV | NBD | CAG | CAF | 0.5° | 0.5° |
| CAV | NBD | CAG | HAG | 179.5° | 179.7° |
| CAV | NBD | CAG | CBC | 179.6° | 179.7° |
| CAV | NBD | CBC | HBC | 46.3° | 174.3° |
| CAV | NBD | CBC | OAS | 170.5° | 52.0° |
| CAV | NBD | CBC | CBA | 73.0° | 63.4° |
| NAO | CAT | NAA | CAF | 179.9° | 179.9° |
| NAO | CAT | NAA | HAA1 | 154.3° | 0.1° |
| NAO | CAT | NAA | HAA2 | 85.7° | 180.0° |
| NAO | CAT | CAF | HAF | 179.7° | 180.0° |
| NAO | CAT | CAF | CAG | 0.2° | 0.1° |
| CAT | NAA | HAA1 | HAA2 | 120.0° | 179.9° |
| NAA | CAT | CAF | HAF | 0.2° | 0.1° |
| NAA | CAT | CAF | CAG | 179.8° | 180.0° |
| CAF | CAT | NAA | HAA1 | 25.8° | 180.0° |
| CAF | CAT | NAA | HAA2 | 94.2° | 0.1° |
| CAT | CAF | HAF | CAG | 180.0° | 179.9° |
| CAT | CAF | CAG | HAG | 179.6° | 180.0° |
| CAT | CAF | CAG | NBD | 0.4° | 0.2° |
| HAF | CAF | CAG | HAG | 0.4° | 0.0° |
| HAF | CAF | CAG | NBD | 179.6° | 179.8° |
| CAF | CAG | HAG | NBD | 180.0° | 179.8° |
| CAF | CAG | NBD | CBC | 179.9° | 179.8° |
| HAG | CAG | NBD | CBC | 0.1° | 0.0° |
| CAG | NBD | CBC | HBC | 133.3° | 5.5° |
| CAG | NBD | CBC | OAS | 9.1° | 127.7° |
| CAG | NBD | CBC | CBA | 107.4° | 116.8° |
| NBD | CBC | HBC | OAS | 117.9° | 122.2° |
| NBD | CBC | HBC | CBA | 123.3° | 122.3° |
| NBD | CBC | OAS | CBA | 121.2° | 118.9° |
| NBD | CBC | OAS | CB0 | 139.1° | 159.3° |
| NBD | CBC | CBA | HBA | 8.5° | 24.1° |
| NBD | CBC | CBA | OAE | 127.0° | 98.5° |
| NBD | CBC | CBA | CAZ | 113.4° | 142.8° |
| HBC | CBC | OAS | CBA | 119.0° | 118.9° |
| HBC | CBC | OAS | CB0 | 101.1° | 78.4° |
| HBC | CBC | CBA | HBA | 111.6° | 146.4° |
| HBC | CBC | CBA | OAE | 6.9° | 23.9° |
| HBC | CBC | CBA | CAZ | 126.5° | 94.9° |
| OAS | CBC | CBA | HBA | 124.2° | 94.7° |
| OAS | CBC | CBA | OAE | 117.3° | 142.7° |
| OAS | CBC | CBA | CAZ | 2.3° | 23.9° |
| CBC | OAS | CB0 | CAZ | 30.9° | 40.4° |
| CBC | OAS | CB0 | CAN | 143.6° | 159.4° |
| CBC | OAS | CB0 | HB0 | 93.1° | 78.4° |
| CBA | CBC | OAS | CB0 | 17.9° | 40.4° |
| CBC | CBA | HBA | OAE | 121.0° | 122.6° |
| CBC | CBA | HBA | CAZ | 117.3° | 114.7° |
| CBC | CBA | OAE | CAZ | 115.1° | 114.7° |
| CBC | CBA | OAE | HAE | 122.8° | 180.0° |
| CBC | CBA | CAZ | HAZ | 102.9° | 118.6° |
| CBC | CBA | CAZ | OAD | 136.6° | 118.8° |
| CBC | CBA | CAZ | CB0 | 20.1° | 0.0° |
| OAS | CB0 | CAZ | CBA | 31.6° | 24.0° |
| OAS | CB0 | CAZ | HAZ | 90.6° | 94.7° |
| OAS | CB0 | CAZ | OAD | 149.0° | 142.6° |
| OAS | CB0 | CAZ | CAN | 113.4° | 118.9° |
| OAS | CB0 | CAZ | HB0 | 123.5° | 118.8° |
| OAS | CB0 | CAN | HB0 | 123.7° | 122.2° |
| OAS | CB0 | CAN | NAQ | 74.1° | 66.4° |
| OAS | CB0 | CAN | HAN1 | 165.9° | 173.6° |
| OAS | CB0 | CAN | HAN2 | 45.0° | 53.6° |
| HBA | CBA | OAE | CAZ | 122.2° | 122.6° |
| HBA | CBA | OAE | HAE | 0.1° | 57.4° |
| HBA | CBA | CAZ | HAZ | 19.6° | 0.1° |
| HBA | CBA | CAZ | OAD | 100.9° | 122.6° |
| HBA | CBA | CAZ | CB0 | 142.6° | 118.7° |
| OAE | CBA | CAZ | HAZ | 138.2° | 122.7° |
| OAE | CBA | CAZ | OAD | 17.6° | 0.1° |
| OAE | CBA | CAZ | CB0 | 98.9° | 118.7° |
| CAZ | CBA | OAE | HAE | 122.1° | 65.3° |
| CBA | CAZ | HAZ | OAD | 121.3° | 122.6° |
| CBA | CAZ | HAZ | CB0 | 118.3° | 114.6° |
| CBA | CAZ | OAD | CB0 | 114.2° | 114.6° |
| CBA | CAZ | OAD | HAD | 35.6° | 61.5° |
| CBA | CAZ | CB0 | CAN | 145.1° | 142.8° |
| CBA | CAZ | CB0 | HB0 | 91.8° | 94.8° |
| HAZ | CAZ | OAD | CB0 | 123.2° | 122.7° |
| HAZ | CAZ | OAD | HAD | 87.0° | 61.1° |
| HAZ | CAZ | CB0 | CAN | 22.8° | 24.2° |
| HAZ | CAZ | CB0 | HB0 | 145.9° | 146.5° |
| OAD | CAZ | CB0 | CAN | 97.6° | 98.5° |
| OAD | CAZ | CB0 | HB0 | 25.5° | 23.8° |
| CB0 | CAZ | OAD | HAD | 149.8° | 176.2° |
| CAZ | CB0 | CAN | HB0 | 124.1° | 122.3° |
| CAZ | CB0 | CAN | NAQ | 173.6° | 178.1° |
| CAZ | CB0 | CAN | HAN1 | 53.7° | 58.1° |
| CAZ | CB0 | CAN | HAN2 | 67.3° | 61.9° |
| CB0 | CAN | NAQ | HAN1 | 120.0° | 120.0° |
| CB0 | CAN | NAQ | HAN2 | 119.0° | 120.0° |
| CB0 | CAN | HAN1 | HAN2 | 119.1° | 119.9° |
| CB0 | CAN | NAQ | CAU | 100.7° | 180.0° |
| CB0 | CAN | NAQ | HAQ | 79.3° | 0.0° |
| HB0 | CB0 | CAN | NAQ | 49.6° | 55.8° |
| HB0 | CB0 | CAN | HAN1 | 70.4° | 64.2° |
| HB0 | CB0 | CAN | HAN2 | 168.6° | 175.8° |
| NAQ | CAN | HAN1 | HAN2 | 119.0° | 120.0° |
| CAN | NAQ | CAU | HAQ | 180.0° | 180.0° |
| CAN | NAQ | CAU | OAB | 0.3° | 0.0° |
| CAN | NAQ | CAU | CAL | 179.3° | 180.0° |
| HAN1 | CAN | NAQ | CAU | 19.2° | 60.0° |
| HAN1 | CAN | NAQ | HAQ | 160.7° | 120.0° |
| HAN2 | CAN | NAQ | CAU | 140.2° | 60.0° |
| HAN2 | CAN | NAQ | HAQ | 39.7° | 120.0° |
| NAQ | CAU | OAB | CAL | 179.6° | 180.0° |
| NAQ | CAU | CAL | CA0 | 143.9° | 180.0° |
| NAQ | CAU | CAL | HAL1 | 96.1° | 60.0° |
| NAQ | CAU | CAL | HAL2 | 25.3° | 60.0° |
| HAQ | NAQ | CAU | OAB | 179.7° | 179.9° |
| HAQ | NAQ | CAU | CAL | 0.7° | 0.0° |
| OAB | CAU | CAL | CA0 | 36.4° | 0.0° |
| OAB | CAU | CAL | HAL1 | 83.6° | 120.0° |
| OAB | CAU | CAL | HAL2 | 155.1° | 120.1° |
| CAU | CAL | CA0 | HAL1 | 120.0° | 120.0° |
| CAU | CAL | CA0 | HAL2 | 118.7° | 120.0° |
| CAU | CAL | HAL1 | HAL2 | 118.7° | 120.0° |
| CAU | CAL | CA0 | NAR | 174.3° | 55.0° |
| CAU | CAL | CA0 | NAP | 5.8° | 124.7° |
| CA0 | CAL | HAL1 | HAL2 | 118.7° | 120.1° |
| CAL | CA0 | NAR | NAP | 179.9° | 179.8° |
| CAL | CA0 | NAR | CAY | 180.0° | 180.0° |
| CAL | CA0 | NAP | CAX | 180.0° | 179.9° |
| CAL | CA0 | NAP | HAP | 0.0° | 0.0° |
| HAL1 | CAL | CA0 | NAR | 54.3° | 175.0° |
| HAL1 | CAL | CA0 | NAP | 125.8° | 4.8° |
| HAL2 | CAL | CA0 | NAR | 67.0° | 65.0° |
| HAL2 | CAL | CA0 | NAP | 112.9° | 115.3° |
| CA0 | NAR | CAY | CAK | 180.0° | 180.0° |
| CA0 | NAR | CAY | CAX | 0.1° | 0.0° |
| NAR | CA0 | NAP | CAX | 0.1° | 0.4° |
| NAR | CA0 | NAP | HAP | 180.0° | 179.7° |
| NAP | CA0 | NAR | CAY | 0.1° | 0.2° |
| CA0 | NAP | CAX | CAY | 0.0° | 0.4° |
| CA0 | NAP | CAX | CAJ | 179.9° | 179.9° |
| CA0 | NAP | CAX | HAP | 180.0° | 179.9° |
| NAR | CAY | CAK | CAX | 180.0° | 180.0° |
| NAR | CAY | CAK | CAI | 180.0° | 180.0° |
| NAR | CAY | CAK | HAK | 0.0° | 0.1° |
| NAR | CAY | CAX | CAJ | 180.0° | 180.0° |
| NAR | CAY | CAX | NAP | 0.0° | 0.2° |
| CAY | CAK | CAI | HAK | 180.0° | 180.0° |
| CAY | CAK | CAI | CAH | 0.1° | 0.0° |
| CAY | CAK | CAI | HAI | 179.9° | 180.0° |
| CAK | CAY | CAX | CAJ | 0.1° | 0.0° |
| CAK | CAY | CAX | NAP | 180.0° | 179.8° |
| CAX | CAY | CAK | CAI | 0.0° | 0.0° |
| CAX | CAY | CAK | HAK | 180.0° | 180.0° |
| CAY | CAX | CAJ | CAH | 0.1° | 0.0° |
| CAY | CAX | CAJ | NAP | 179.9° | 179.7° |
| CAY | CAX | CAJ | HAJ | 179.9° | 180.0° |
| CAY | CAX | NAP | HAP | 180.0° | 179.8° |
| CAK | CAI | CAH | HAI | 180.0° | 180.0° |
| CAK | CAI | CAH | CAJ | 0.1° | 0.0° |
| CAK | CAI | CAH | HAH | 179.9° | 180.0° |
| HAK | CAK | CAI | CAH | 179.9° | 179.9° |
| HAK | CAK | CAI | HAI | 0.1° | 0.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAX | 0.0° | 0.0° |
| CAI | CAH | CAJ | HAJ | 180.0° | 180.0° |
| HAI | CAI | CAH | CAJ | 179.9° | 180.0° |
| HAI | CAI | CAH | HAH | 0.1° | 0.0° |
| CAH | CAJ | CAX | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAX | NAP | 180.0° | 179.7° |
| HAH | CAH | CAJ | CAX | 180.0° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.0° | 0.0° |
| CAJ | CAX | NAP | HAP | 0.1° | 0.0° |
| HAJ | CAJ | CAX | NAP | 0.0° | 0.3° |
