4CN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | NAQ | sing | 1.47Å | 1.51Å | |
| OAC | CAK | doub | 1.21Å | 1.24Å | |
| CAK | NAQ | sing | 1.34Å | 1.31Å | |
| CAK | CAH | sing | 1.51Å | 1.36Å | |
| NAQ | CAP | sing | 1.40Å | 1.35Å | |
| CAH | CAN | sing | 1.51Å | 1.38Å | |
| CAP | CAE | doub | 1.39Å | 1.34Å | Aromatic |
| CAP | CAN | sing | 1.39Å | 1.36Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAG | doub | 1.37Å | 1.34Å | Aromatic |
| CAD | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAM | sing | 1.40Å | 1.42Å | Aromatic |
| CAM | CAO | sing | 1.48Å | 1.37Å | |
| CAO | NAI | sing | 1.33Å | 1.37Å | Aromatic |
| CAO | CAF | doub | 1.35Å | 1.36Å | Aromatic |
| NAI | CAL | doub | 1.29Å | 1.36Å | Aromatic |
| CAF | SAJ | sing | 1.76Å | 1.79Å | Aromatic |
| CAL | SAJ | sing | 1.71Å | 1.52Å | Aromatic |
| CAL | CAA | sing | 1.51Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAD | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | NAQ | CAK | 124.2° | 123.8° |
| CAB | NAQ | CAP | 126.4° | 123.9° |
| NAQ | CAB | H8 | 109.5° | 109.4° |
| NAQ | CAB | H9 | 109.5° | 109.5° |
| NAQ | CAB | H10 | 109.5° | 109.4° |
| OAC | CAK | NAQ | 122.9° | 126.5° |
| OAC | CAK | CAH | 128.8° | 126.4° |
| NAQ | CAK | CAH | 108.3° | 107.1° |
| CAK | NAQ | CAP | 109.4° | 112.3° |
| CAK | CAH | CAN | 107.9° | 104.1° |
| CAK | CAH | H6 | 109.8° | 110.5° |
| CAK | CAH | H7 | 109.8° | 110.6° |
| NAQ | CAP | CAE | 131.0° | 130.7° |
| NAQ | CAP | CAN | 108.1° | 110.2° |
| CAH | CAN | CAP | 106.3° | 106.3° |
| CAH | CAN | CAG | 134.4° | 132.7° |
| CAN | CAH | H6 | 109.9° | 110.5° |
| CAN | CAH | H7 | 109.9° | 110.5° |
| CAE | CAP | CAN | 120.9° | 119.2° |
| CAP | CAE | CAD | 121.5° | 120.2° |
| CAP | CAE | H11 | 119.3° | 119.9° |
| CAP | CAN | CAG | 119.2° | 121.0° |
| CAE | CAD | CAM | 119.0° | 120.3° |
| CAD | CAE | H11 | 119.3° | 119.9° |
| CAE | CAD | H12 | 120.5° | 119.9° |
| CAN | CAG | CAM | 122.5° | 119.8° |
| CAN | CAG | H5 | 118.8° | 120.2° |
| CAD | CAM | CAG | 116.8° | 119.6° |
| CAD | CAM | CAO | 117.8° | 120.2° |
| CAM | CAD | H12 | 120.5° | 119.8° |
| CAG | CAM | CAO | 125.5° | 120.2° |
| CAM | CAG | H5 | 118.8° | 120.1° |
| CAM | CAO | NAI | 122.1° | 123.0° |
| CAM | CAO | CAF | 126.6° | 122.9° |
| NAI | CAO | CAF | 111.2° | 114.1° |
| CAO | NAI | CAL | 116.5° | 117.1° |
| CAO | CAF | SAJ | 105.5° | 107.9° |
| CAO | CAF | H4 | 127.3° | 126.1° |
| NAI | CAL | SAJ | 110.8° | 110.5° |
| NAI | CAL | CAA | 126.6° | 124.7° |
| CAF | SAJ | CAL | 96.0° | 90.4° |
| SAJ | CAF | H4 | 127.2° | 126.1° |
| SAJ | CAL | CAA | 122.6° | 124.8° |
| CAL | CAA | H1 | 109.5° | 109.4° |
| CAL | CAA | H2 | 109.5° | 109.5° |
| CAL | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H6 | CAH | H7 | 109.5° | 110.4° |
| H8 | CAB | H9 | 109.5° | 109.5° |
| H8 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAB | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | NAQ | CAK | OAC | 0.5° | 0.0° |
| CAB | NAQ | CAK | CAP | 179.3° | 180.0° |
| CAB | NAQ | CAK | CAH | 178.2° | 180.0° |
| CAB | NAQ | CAP | CAE | 0.2° | 0.0° |
| CAB | NAQ | CAP | CAN | 177.4° | 179.9° |
| NAQ | CAB | H8 | H9 | 120.0° | 120.0° |
| NAQ | CAB | H8 | H10 | 120.0° | 119.9° |
| NAQ | CAB | H9 | H10 | 120.0° | 120.0° |
| OAC | CAK | NAQ | CAH | 178.7° | 180.0° |
| OAC | CAK | NAQ | CAP | 179.8° | 180.0° |
| OAC | CAK | CAH | CAN | 178.5° | 180.0° |
| OAC | CAK | CAH | H6 | 58.8° | 61.3° |
| OAC | CAK | CAH | H7 | 61.7° | 61.3° |
| NAQ | CAK | CAH | CAN | 0.1° | 0.0° |
| CAK | NAQ | CAP | CAE | 179.1° | 180.0° |
| CAK | NAQ | CAP | CAN | 1.9° | 0.0° |
| NAQ | CAK | CAH | H6 | 119.8° | 118.7° |
| NAQ | CAK | CAH | H7 | 119.7° | 118.7° |
| CAK | NAQ | CAB | H8 | 180.0° | 0.1° |
| CAK | NAQ | CAB | H9 | 60.0° | 120.0° |
| CAK | NAQ | CAB | H10 | 60.0° | 120.1° |
| CAH | CAK | NAQ | CAP | 1.1° | 0.0° |
| CAK | CAH | CAN | H6 | 119.7° | 118.7° |
| CAK | CAH | CAN | H7 | 119.7° | 118.8° |
| CAK | CAH | CAN | CAP | 1.2° | 0.0° |
| CAK | CAH | CAN | CAG | 178.2° | 180.0° |
| CAK | CAH | H6 | H7 | 120.7° | 122.7° |
| NAQ | CAP | CAN | CAH | 1.8° | 0.0° |
| NAQ | CAP | CAE | CAN | 176.9° | 180.0° |
| NAQ | CAP | CAE | CAD | 179.5° | 179.7° |
| NAQ | CAP | CAN | CAG | 179.4° | 180.0° |
| CAP | NAQ | CAB | H8 | 0.8° | 180.0° |
| CAP | NAQ | CAB | H9 | 120.8° | 60.0° |
| CAP | NAQ | CAB | H10 | 119.2° | 60.0° |
| NAQ | CAP | CAE | H11 | 0.5° | 0.1° |
| CAH | CAN | CAP | CAE | 179.4° | 180.0° |
| CAH | CAN | CAP | CAG | 177.5° | 180.0° |
| CAH | CAN | CAG | CAM | 179.0° | 180.0° |
| CAH | CAN | CAG | H5 | 0.9° | 0.0° |
| CAN | CAH | H6 | H7 | 120.8° | 122.6° |
| CAP | CAE | CAD | H11 | 180.0° | 179.8° |
| CAE | CAP | CAN | CAG | 3.1° | 0.0° |
| CAP | CAE | CAD | CAM | 3.2° | 0.5° |
| CAP | CAE | CAD | H12 | 176.8° | 180.0° |
| CAN | CAP | CAE | CAD | 3.5° | 0.2° |
| CAP | CAN | CAG | CAM | 2.4° | 0.0° |
| CAP | CAN | CAG | H5 | 177.6° | 180.0° |
| CAP | CAN | CAH | H6 | 120.9° | 118.7° |
| CAP | CAN | CAH | H7 | 118.5° | 118.8° |
| CAN | CAP | CAE | H11 | 176.5° | 180.0° |
| CAE | CAD | CAM | H12 | 180.0° | 179.5° |
| CAE | CAD | CAM | CAG | 2.4° | 0.5° |
| CAE | CAD | CAM | CAO | 178.5° | 179.8° |
| CAN | CAG | CAM | CAD | 2.1° | 0.2° |
| CAN | CAG | CAM | H5 | 180.0° | 180.0° |
| CAN | CAG | CAM | CAO | 178.9° | 180.0° |
| CAG | CAN | CAH | H6 | 62.1° | 61.3° |
| CAG | CAN | CAH | H7 | 58.5° | 61.2° |
| CAD | CAM | CAG | CAO | 179.1° | 179.8° |
| CAD | CAM | CAO | NAI | 3.7° | 179.8° |
| CAD | CAM | CAO | CAF | 171.9° | 0.6° |
| CAD | CAM | CAG | H5 | 177.9° | 179.8° |
| CAM | CAD | CAE | H11 | 176.8° | 179.7° |
| CAG | CAM | CAO | NAI | 175.3° | 0.0° |
| CAG | CAM | CAO | CAF | 9.0° | 179.6° |
| CAG | CAM | CAD | H12 | 177.6° | 180.0° |
| CAM | CAO | NAI | CAF | 176.3° | 179.6° |
| CAM | CAO | NAI | CAL | 177.7° | 180.0° |
| CAM | CAO | CAF | SAJ | 176.7° | 179.9° |
| CAM | CAO | CAF | H4 | 3.2° | 0.3° |
| CAO | CAM | CAG | H5 | 1.1° | 0.0° |
| CAO | CAM | CAD | H12 | 1.5° | 0.2° |
| NAI | CAO | CAF | SAJ | 0.7° | 0.5° |
| CAO | NAI | CAL | SAJ | 1.5° | 0.0° |
| CAO | NAI | CAL | CAA | 179.9° | 179.8° |
| NAI | CAO | CAF | H4 | 179.3° | 180.0° |
| CAF | CAO | NAI | CAL | 1.4° | 0.4° |
| CAO | CAF | SAJ | H4 | 180.0° | 179.5° |
| CAO | CAF | SAJ | CAL | 0.1° | 0.4° |
| NAI | CAL | SAJ | CAF | 0.9° | 0.2° |
| NAI | CAL | SAJ | CAA | 178.6° | 179.8° |
| NAI | CAL | CAA | H1 | 0.0° | 179.7° |
| NAI | CAL | CAA | H2 | 120.0° | 59.8° |
| NAI | CAL | CAA | H3 | 120.0° | 60.3° |
| CAF | SAJ | CAL | CAA | 179.5° | 180.0° |
| SAJ | CAL | CAA | H1 | 178.4° | 0.0° |
| SAJ | CAL | CAA | H2 | 58.4° | 120.0° |
| SAJ | CAL | CAA | H3 | 61.6° | 120.0° |
| CAL | SAJ | CAF | H4 | 179.9° | 179.9° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H8 | CAB | H9 | H10 | 120.0° | 120.0° |
| H11 | CAE | CAD | H12 | 3.2° | 0.2° |
