2CN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.53Å | 1.55Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAV | sing | 1.35Å | 1.23Å | |
| OAC | CAV | doub | 1.22Å | 1.22Å | |
| BRAD | CAW | sing | 1.89Å | 1.86Å | |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAX | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAY | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAW | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CBA | sing | 1.40Å | 1.42Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAM | sing | 1.53Å | 1.55Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | CAN | sing | 1.53Å | 1.55Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | CAO | sing | 1.53Å | 1.55Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | CAP | sing | 1.53Å | 1.55Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAP | CAQ | sing | 1.53Å | 1.55Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAQ | CAR | sing | 1.53Å | 1.54Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAR | OAT | sing | 1.43Å | 1.34Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAS | SAU | sing | 1.81Å | 1.83Å | |
| CAS | CAX | sing | 1.51Å | 1.48Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| OAT | CAY | sing | 1.36Å | 1.28Å | |
| SAU | CAZ | sing | 1.76Å | 1.76Å | |
| CAV | CBA | sing | 1.47Å | 1.40Å | |
| CAZ | CBA | doub | 1.41Å | 1.43Å | Aromatic |
| OAB | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAA | HAA | 109.5° | 109.4° |
| CAL | CAA | HAAA | 109.5° | 109.5° |
| CAL | CAA | HAAB | 109.5° | 109.4° |
| CAA | CAL | CAM | 112.4° | 109.4° |
| CAA | CAL | HAL | 108.5° | 109.4° |
| CAA | CAL | HALA | 108.5° | 109.5° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAV | OAC | 114.0° | 120.0° |
| OAB | CAV | CBA | 122.1° | 120.0° |
| CAV | OAB | H27 | 109.5° | 117.0° |
| OAC | CAV | CBA | 123.9° | 120.0° |
| BRAD | CAW | CAG | 119.6° | 119.8° |
| BRAD | CAW | CAK | 120.8° | 119.8° |
| CAF | CAE | CAH | 120.2° | 120.0° |
| CAF | CAE | HAE | 119.9° | 120.0° |
| CAE | CAF | CAX | 120.4° | 120.1° |
| CAE | CAF | HAF | 119.8° | 120.0° |
| CAH | CAE | HAE | 119.9° | 120.0° |
| CAE | CAH | CAY | 120.4° | 120.0° |
| CAE | CAH | HAH | 119.8° | 120.0° |
| CAX | CAF | HAF | 119.8° | 120.0° |
| CAF | CAX | CAJ | 118.8° | 120.1° |
| CAF | CAX | CAS | 121.3° | 119.9° |
| CAI | CAG | CAW | 119.8° | 120.5° |
| CAI | CAG | HAG | 120.1° | 119.8° |
| CAG | CAI | CAZ | 120.7° | 120.1° |
| CAG | CAI | HAI | 119.6° | 119.9° |
| CAW | CAG | HAG | 120.1° | 119.8° |
| CAG | CAW | CAK | 119.6° | 120.4° |
| CAY | CAH | HAH | 119.8° | 120.0° |
| CAH | CAY | CAJ | 118.9° | 119.9° |
| CAH | CAY | OAT | 118.0° | 120.0° |
| CAZ | CAI | HAI | 119.6° | 120.0° |
| CAI | CAZ | SAU | 115.5° | 120.2° |
| CAI | CAZ | CBA | 120.4° | 119.6° |
| CAX | CAJ | CAY | 121.3° | 119.9° |
| CAX | CAJ | HAJ | 119.4° | 120.0° |
| CAJ | CAX | CAS | 119.9° | 120.0° |
| CAY | CAJ | HAJ | 119.4° | 120.0° |
| CAJ | CAY | OAT | 123.2° | 120.1° |
| CAW | CAK | CBA | 121.9° | 119.9° |
| CAW | CAK | HAK | 119.1° | 120.0° |
| CBA | CAK | HAK | 119.0° | 120.1° |
| CAK | CBA | CAV | 119.1° | 120.2° |
| CAK | CBA | CAZ | 117.4° | 119.6° |
| CAM | CAL | HAL | 108.5° | 109.4° |
| CAM | CAL | HALA | 108.5° | 109.5° |
| CAL | CAM | CAN | 112.7° | 109.5° |
| CAL | CAM | HAM | 108.4° | 109.5° |
| CAL | CAM | HAMA | 108.4° | 109.5° |
| HAL | CAL | HALA | 110.4° | 109.5° |
| CAN | CAM | HAM | 108.4° | 109.5° |
| CAN | CAM | HAMA | 108.4° | 109.4° |
| CAM | CAN | CAO | 112.6° | 109.5° |
| CAM | CAN | HAN | 108.4° | 109.5° |
| CAM | CAN | HANA | 108.4° | 109.4° |
| HAM | CAM | HAMA | 110.5° | 109.5° |
| CAO | CAN | HAN | 108.4° | 109.5° |
| CAO | CAN | HANA | 108.4° | 109.5° |
| CAN | CAO | CAP | 112.3° | 109.5° |
| CAN | CAO | HAO | 108.5° | 109.5° |
| CAN | CAO | HAOA | 108.5° | 109.5° |
| HAN | CAN | HANA | 110.5° | 109.5° |
| CAP | CAO | HAO | 108.5° | 109.5° |
| CAP | CAO | HAOA | 108.5° | 109.5° |
| CAO | CAP | CAQ | 112.9° | 109.5° |
| CAO | CAP | HAP | 108.3° | 109.4° |
| CAO | CAP | HAPA | 108.4° | 109.4° |
| HAO | CAO | HAOA | 110.4° | 109.5° |
| CAQ | CAP | HAP | 108.3° | 109.5° |
| CAQ | CAP | HAPA | 108.3° | 109.5° |
| CAP | CAQ | CAR | 111.9° | 109.5° |
| CAP | CAQ | HAQ | 108.7° | 109.5° |
| CAP | CAQ | HAQA | 108.7° | 109.5° |
| HAP | CAP | HAPA | 110.6° | 109.5° |
| CAR | CAQ | HAQ | 108.7° | 109.5° |
| CAR | CAQ | HAQA | 108.6° | 109.5° |
| CAQ | CAR | OAT | 110.2° | 109.5° |
| CAQ | CAR | HAR | 109.2° | 109.4° |
| CAQ | CAR | HARA | 109.2° | 109.4° |
| HAQ | CAQ | HAQA | 110.3° | 109.5° |
| OAT | CAR | HAR | 109.2° | 109.5° |
| OAT | CAR | HARA | 109.2° | 109.5° |
| CAR | OAT | CAY | 128.4° | 117.0° |
| HAR | CAR | HARA | 109.7° | 109.5° |
| SAU | CAS | CAX | 110.4° | 109.5° |
| SAU | CAS | HAS | 109.2° | 109.5° |
| SAU | CAS | HASA | 109.1° | 109.5° |
| CAS | SAU | CAZ | 102.9° | 100.0° |
| CAX | CAS | HAS | 109.1° | 109.5° |
| CAX | CAS | HASA | 109.2° | 109.4° |
| HAS | CAS | HASA | 109.8° | 109.5° |
| SAU | CAZ | CBA | 124.1° | 120.2° |
| CAV | CBA | CAZ | 123.5° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAL | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAL | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAL | CAM | HAL | 120.0° | 119.9° |
| CAA | CAL | CAM | HALA | 120.0° | 120.0° |
| CAA | CAL | HAL | HALA | 118.8° | 120.0° |
| CAA | CAL | CAM | CAN | 180.0° | 180.0° |
| CAA | CAL | CAM | HAM | 59.9° | 60.1° |
| CAA | CAL | CAM | HAMA | 60.0° | 60.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAL | CAM | 180.0° | 180.0° |
| HAA | CAA | CAL | HAL | 60.0° | 60.1° |
| HAA | CAA | CAL | HALA | 60.0° | 60.0° |
| HAAA | CAA | CAL | CAM | 60.0° | 60.0° |
| HAAA | CAA | CAL | HAL | 60.0° | 60.0° |
| HAAA | CAA | CAL | HALA | 180.0° | 180.0° |
| HAAB | CAA | CAL | CAM | 60.0° | 60.1° |
| HAAB | CAA | CAL | HAL | 180.0° | 180.0° |
| HAAB | CAA | CAL | HALA | 59.9° | 60.0° |
| OAB | CAV | OAC | CBA | 179.8° | 180.0° |
| OAB | CAV | CBA | CAK | 25.6° | 0.0° |
| OAB | CAV | CBA | CAZ | 153.7° | 180.0° |
| OAC | CAV | CBA | CAK | 154.1° | 180.0° |
| OAC | CAV | CBA | CAZ | 26.5° | 0.0° |
| OAC | CAV | OAB | H27 | 0.0° | 0.0° |
| BRAD | CAW | CAG | CAI | 176.1° | 180.0° |
| BRAD | CAW | CAG | CAK | 179.0° | 180.0° |
| BRAD | CAW | CAG | HAG | 3.9° | 0.3° |
| BRAD | CAW | CAK | CBA | 176.1° | 180.0° |
| BRAD | CAW | CAK | HAK | 3.8° | 0.1° |
| CAF | CAE | CAH | HAE | 180.0° | 179.8° |
| CAE | CAF | CAX | HAF | 180.0° | 179.9° |
| CAF | CAE | CAH | CAY | 1.1° | 0.0° |
| CAF | CAE | CAH | HAH | 178.9° | 180.0° |
| CAE | CAF | CAX | CAJ | 1.3° | 0.1° |
| CAE | CAF | CAX | CAS | 178.8° | 180.0° |
| CAH | CAE | CAF | CAX | 1.0° | 0.1° |
| CAH | CAE | CAF | HAF | 179.0° | 180.0° |
| CAE | CAH | CAY | HAH | 180.0° | 179.9° |
| CAE | CAH | CAY | CAJ | 2.8° | 0.0° |
| CAE | CAH | CAY | OAT | 177.3° | 179.9° |
| HAE | CAE | CAF | CAX | 179.0° | 179.7° |
| HAE | CAE | CAF | HAF | 1.0° | 0.2° |
| HAE | CAE | CAH | CAY | 178.9° | 179.7° |
| HAE | CAE | CAH | HAH | 1.0° | 0.2° |
| CAF | CAX | CAJ | CAS | 179.9° | 180.0° |
| CAF | CAX | CAJ | CAY | 0.5° | 0.0° |
| CAF | CAX | CAJ | HAJ | 179.5° | 179.9° |
| CAF | CAX | CAS | SAU | 92.0° | 90.0° |
| CAF | CAX | CAS | HAS | 148.0° | 30.0° |
| CAF | CAX | CAS | HASA | 28.0° | 150.0° |
| HAF | CAF | CAX | CAJ | 178.7° | 180.0° |
| HAF | CAF | CAX | CAS | 1.2° | 0.1° |
| CAI | CAG | CAW | HAG | 180.0° | 179.8° |
| CAG | CAI | CAZ | HAI | 180.0° | 180.0° |
| CAI | CAG | CAW | CAK | 2.9° | 0.0° |
| CAG | CAI | CAZ | SAU | 176.1° | 180.0° |
| CAG | CAI | CAZ | CBA | 3.6° | 0.0° |
| CAW | CAG | CAI | CAZ | 0.3° | 0.0° |
| CAW | CAG | CAI | HAI | 179.7° | 180.0° |
| CAG | CAW | CAK | CBA | 2.8° | 0.0° |
| CAG | CAW | CAK | HAK | 177.2° | 179.9° |
| HAG | CAG | CAI | CAZ | 179.7° | 179.8° |
| HAG | CAG | CAI | HAI | 0.3° | 0.3° |
| HAG | CAG | CAW | CAK | 177.1° | 179.7° |
| CAH | CAY | CAJ | CAX | 2.5° | 0.0° |
| CAH | CAY | CAJ | OAT | 179.9° | 179.9° |
| CAH | CAY | CAJ | HAJ | 177.5° | 179.9° |
| CAH | CAY | OAT | CAR | 138.2° | 0.1° |
| HAH | CAH | CAY | CAJ | 177.2° | 179.9° |
| HAH | CAH | CAY | OAT | 2.7° | 0.0° |
| CAI | CAZ | CBA | CAK | 3.6° | 0.0° |
| CAI | CAZ | SAU | CAS | 90.2° | 0.0° |
| CAI | CAZ | SAU | CBA | 179.6° | 180.0° |
| CAI | CAZ | CBA | CAV | 175.8° | 180.0° |
| HAI | CAI | CAZ | SAU | 3.9° | 0.0° |
| HAI | CAI | CAZ | CBA | 176.4° | 180.0° |
| CAX | CAJ | CAY | HAJ | 180.0° | 179.9° |
| CAJ | CAX | CAS | SAU | 87.9° | 90.0° |
| CAJ | CAX | CAS | HAS | 32.1° | 149.9° |
| CAJ | CAX | CAS | HASA | 152.1° | 30.0° |
| CAX | CAJ | CAY | OAT | 177.6° | 180.0° |
| CAJ | CAY | OAT | CAR | 41.9° | 180.0° |
| CAY | CAJ | CAX | CAS | 179.4° | 180.0° |
| HAJ | CAJ | CAX | CAS | 0.6° | 0.0° |
| HAJ | CAJ | CAY | OAT | 2.4° | 0.1° |
| CAW | CAK | CBA | HAK | 180.0° | 180.0° |
| CAW | CAK | CBA | CAV | 179.0° | 179.9° |
| CAW | CAK | CBA | CAZ | 0.4° | 0.0° |
| CAK | CBA | CAZ | SAU | 176.1° | 180.0° |
| CAK | CBA | CAV | CAZ | 179.4° | 180.0° |
| HAK | CAK | CBA | CAV | 1.0° | 0.1° |
| HAK | CAK | CBA | CAZ | 179.6° | 179.9° |
| CAM | CAL | HAL | HALA | 118.8° | 120.1° |
| CAL | CAM | CAN | HAM | 120.0° | 120.0° |
| CAL | CAM | CAN | HAMA | 120.0° | 120.1° |
| CAL | CAM | HAM | HAMA | 118.6° | 120.1° |
| CAL | CAM | CAN | CAO | 179.7° | 180.0° |
| CAL | CAM | CAN | HAN | 60.3° | 60.0° |
| CAL | CAM | CAN | HANA | 59.7° | 60.0° |
| HAL | CAL | CAM | CAN | 60.0° | 60.1° |
| HAL | CAL | CAM | HAM | 179.9° | 180.0° |
| HAL | CAL | CAM | HAMA | 60.0° | 59.9° |
| HALA | CAL | CAM | CAN | 60.0° | 60.0° |
| HALA | CAL | CAM | HAM | 60.1° | 60.0° |
| HALA | CAL | CAM | HAMA | 180.0° | 180.0° |
| CAN | CAM | HAM | HAMA | 118.7° | 119.9° |
| CAM | CAN | CAO | HAN | 120.0° | 120.0° |
| CAM | CAN | CAO | HANA | 120.0° | 119.9° |
| CAM | CAN | HAN | HANA | 118.7° | 119.9° |
| CAM | CAN | CAO | CAP | 179.6° | 180.0° |
| CAM | CAN | CAO | HAO | 59.6° | 60.0° |
| CAM | CAN | CAO | HAOA | 60.4° | 60.0° |
| HAM | CAM | CAN | CAO | 59.7° | 60.0° |
| HAM | CAM | CAN | HAN | 179.7° | 180.0° |
| HAM | CAM | CAN | HANA | 60.3° | 60.0° |
| HAMA | CAM | CAN | CAO | 60.3° | 60.0° |
| HAMA | CAM | CAN | HAN | 59.8° | 60.0° |
| HAMA | CAM | CAN | HANA | 179.8° | 180.0° |
| CAO | CAN | HAN | HANA | 118.7° | 120.1° |
| CAN | CAO | CAP | HAO | 120.0° | 120.0° |
| CAN | CAO | CAP | HAOA | 120.0° | 120.0° |
| CAN | CAO | HAO | HAOA | 118.8° | 120.0° |
| CAN | CAO | CAP | CAQ | 178.8° | 180.0° |
| CAN | CAO | CAP | HAP | 61.2° | 59.9° |
| CAN | CAO | CAP | HAPA | 58.9° | 60.0° |
| HAN | CAN | CAO | CAP | 60.4° | 60.0° |
| HAN | CAN | CAO | HAO | 179.6° | 180.0° |
| HAN | CAN | CAO | HAOA | 59.6° | 60.0° |
| HANA | CAN | CAO | CAP | 59.6° | 60.1° |
| HANA | CAN | CAO | HAO | 60.4° | 59.9° |
| HANA | CAN | CAO | HAOA | 179.6° | 180.0° |
| CAP | CAO | HAO | HAOA | 118.8° | 120.0° |
| CAO | CAP | CAQ | HAP | 120.0° | 120.0° |
| CAO | CAP | CAQ | HAPA | 120.0° | 119.9° |
| CAO | CAP | HAP | HAPA | 118.6° | 119.9° |
| CAO | CAP | CAQ | CAR | 178.1° | 180.0° |
| CAO | CAP | CAQ | HAQ | 61.9° | 60.0° |
| CAO | CAP | CAQ | HAQA | 58.1° | 60.0° |
| HAO | CAO | CAP | CAQ | 58.8° | 60.0° |
| HAO | CAO | CAP | HAP | 178.8° | 180.0° |
| HAO | CAO | CAP | HAPA | 61.2° | 60.0° |
| HAOA | CAO | CAP | CAQ | 61.2° | 60.0° |
| HAOA | CAO | CAP | HAP | 58.8° | 60.0° |
| HAOA | CAO | CAP | HAPA | 178.9° | 180.0° |
| CAQ | CAP | HAP | HAPA | 118.6° | 120.1° |
| CAP | CAQ | CAR | HAQ | 120.0° | 120.0° |
| CAP | CAQ | CAR | HAQA | 120.0° | 120.0° |
| CAP | CAQ | HAQ | HAQA | 119.0° | 120.0° |
| CAP | CAQ | CAR | OAT | 174.5° | 180.0° |
| CAP | CAQ | CAR | HAR | 65.5° | 59.9° |
| CAP | CAQ | CAR | HARA | 54.5° | 60.0° |
| HAP | CAP | CAQ | CAR | 58.1° | 60.0° |
| HAP | CAP | CAQ | HAQ | 178.1° | 180.0° |
| HAP | CAP | CAQ | HAQA | 61.9° | 60.0° |
| HAPA | CAP | CAQ | CAR | 61.9° | 60.1° |
| HAPA | CAP | CAQ | HAQ | 58.1° | 59.9° |
| HAPA | CAP | CAQ | HAQA | 178.1° | 180.0° |
| CAR | CAQ | HAQ | HAQA | 119.0° | 120.0° |
| CAQ | CAR | OAT | HAR | 120.0° | 120.0° |
| CAQ | CAR | OAT | HARA | 120.0° | 119.9° |
| CAQ | CAR | HAR | HARA | 119.7° | 119.9° |
| CAQ | CAR | OAT | CAY | 171.3° | 180.0° |
| HAQ | CAQ | CAR | OAT | 54.4° | 60.0° |
| HAQ | CAQ | CAR | HAR | 174.4° | 180.0° |
| HAQ | CAQ | CAR | HARA | 65.6° | 60.0° |
| HAQA | CAQ | CAR | OAT | 65.5° | 60.0° |
| HAQA | CAQ | CAR | HAR | 54.5° | 60.0° |
| HAQA | CAQ | CAR | HARA | 174.5° | 180.0° |
| OAT | CAR | HAR | HARA | 119.7° | 120.1° |
| HAR | CAR | OAT | CAY | 51.4° | 60.0° |
| HARA | CAR | OAT | CAY | 68.7° | 60.1° |
| SAU | CAS | CAX | HAS | 120.0° | 120.0° |
| SAU | CAS | CAX | HASA | 120.0° | 120.0° |
| SAU | CAS | HAS | HASA | 119.6° | 120.1° |
| CAS | SAU | CAZ | CBA | 89.5° | 180.0° |
| CAX | CAS | HAS | HASA | 119.6° | 119.9° |
| CAX | CAS | SAU | CAZ | 173.4° | 180.0° |
| HAS | CAS | SAU | CAZ | 53.4° | 60.0° |
| HASA | CAS | SAU | CAZ | 66.6° | 60.0° |
| SAU | CAZ | CBA | CAV | 4.6° | 0.0° |
| CBA | CAV | OAB | H27 | 179.8° | 180.0° |
