N3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | CAB | sing | 1.74Å | 1.70Å | |
| CAA | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAO | sing | 1.53Å | 1.51Å | |
| CAM | NAL | sing | 1.46Å | 1.49Å | |
| CAO | OAP | sing | 1.43Å | 1.41Å | |
| NAH | NAI | sing | 1.29Å | 1.27Å | Aromatic |
| NAH | CAG | doub | 1.32Å | 1.34Å | Aromatic |
| NAI | CAJ | doub | 1.31Å | 1.34Å | Aromatic |
| CAF | NAL | sing | 1.40Å | 1.34Å | |
| CAF | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| NAL | CAN | sing | 1.46Å | 1.49Å | |
| CAC | CAG | sing | 1.48Å | 1.37Å | |
| CAC | CAD | doub | 1.40Å | 1.40Å | Aromatic |
| CAG | NAK | sing | 1.37Å | 1.34Å | Aromatic |
| OAR | CAQ | sing | 1.43Å | 1.43Å | |
| CAJ | NAK | sing | 1.36Å | 1.34Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CL1 | sing | 1.74Å | 1.70Å | |
| CAN | CAQ | sing | 1.53Å | 1.54Å | |
| OAP | H1 | sing | 0.97Å | 0.95Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAQ | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| OAR | H10 | sing | 0.97Å | 0.95Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å | |
| CAE | H12 | sing | 1.08Å | 1.08Å | |
| NAK | H13 | sing | 0.97Å | 1.00Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | CAB | CAA | 117.2° | 120.0° |
| CL2 | CAB | CAC | 120.7° | 120.1° |
| CAB | CAA | CAF | 121.3° | 120.1° |
| CAA | CAB | CAC | 122.1° | 119.9° |
| CAB | CAA | H11 | 119.4° | 120.0° |
| CAA | CAF | NAL | 122.2° | 119.9° |
| CAA | CAF | CAE | 117.4° | 120.1° |
| CAF | CAA | H11 | 119.4° | 119.9° |
| CAB | CAC | CAG | 122.7° | 120.1° |
| CAB | CAC | CAD | 115.6° | 119.9° |
| CAO | CAM | NAL | 103.8° | 109.5° |
| CAM | CAO | OAP | 107.2° | 109.5° |
| CAM | CAO | H2 | 110.1° | 109.4° |
| CAM | CAO | H3 | 110.0° | 109.5° |
| CAO | CAM | H4 | 110.9° | 109.5° |
| CAO | CAM | H5 | 110.9° | 109.5° |
| CAM | NAL | CAF | 122.7° | 120.0° |
| CAM | NAL | CAN | 115.0° | 120.0° |
| NAL | CAM | H4 | 110.9° | 109.5° |
| NAL | CAM | H5 | 110.9° | 109.5° |
| CAO | OAP | H1 | 109.5° | 114.0° |
| OAP | CAO | H2 | 110.1° | 109.5° |
| OAP | CAO | H3 | 110.0° | 109.5° |
| NAI | NAH | CAG | 109.0° | 109.7° |
| NAH | NAI | CAJ | 109.3° | 110.1° |
| NAH | CAG | CAC | 126.7° | 126.5° |
| NAH | CAG | NAK | 107.4° | 107.0° |
| NAI | CAJ | NAK | 107.8° | 107.4° |
| NAI | CAJ | H14 | 126.1° | 126.3° |
| NAL | CAF | CAE | 120.4° | 120.0° |
| CAF | NAL | CAN | 122.0° | 120.0° |
| CAF | CAE | CAD | 121.4° | 120.1° |
| CAF | CAE | H12 | 119.3° | 120.0° |
| NAL | CAN | CAQ | 114.9° | 109.5° |
| NAL | CAN | H6 | 108.1° | 109.5° |
| NAL | CAN | H7 | 108.1° | 109.5° |
| CAG | CAC | CAD | 121.7° | 120.1° |
| CAC | CAG | NAK | 125.9° | 126.5° |
| CAC | CAD | CAE | 122.2° | 119.9° |
| CAC | CAD | CL1 | 120.8° | 120.1° |
| CAG | NAK | CAJ | 106.5° | 105.7° |
| CAG | NAK | H13 | 126.8° | 127.1° |
| OAR | CAQ | CAN | 111.8° | 109.5° |
| OAR | CAQ | H8 | 108.9° | 109.5° |
| OAR | CAQ | H9 | 108.9° | 109.5° |
| CAQ | OAR | H10 | 109.5° | 114.0° |
| CAJ | NAK | H13 | 126.7° | 127.1° |
| NAK | CAJ | H14 | 126.1° | 126.3° |
| CAE | CAD | CL1 | 117.0° | 120.0° |
| CAD | CAE | H12 | 119.3° | 119.9° |
| CAQ | CAN | H6 | 108.1° | 109.4° |
| CAQ | CAN | H7 | 108.1° | 109.5° |
| CAN | CAQ | H8 | 108.9° | 109.5° |
| CAN | CAQ | H9 | 108.9° | 109.4° |
| H2 | CAO | H3 | 109.5° | 109.4° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAN | H7 | 109.5° | 109.5° |
| H8 | CAQ | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | CAB | CAA | CAC | 179.7° | 179.9° |
| CL2 | CAB | CAA | CAF | 179.5° | 180.0° |
| CL2 | CAB | CAC | CAG | 0.5° | 0.0° |
| CL2 | CAB | CAC | CAD | 179.8° | 179.7° |
| CL2 | CAB | CAA | H11 | 0.5° | 0.0° |
| CAB | CAA | CAF | H11 | 180.0° | 180.0° |
| CAB | CAA | CAF | NAL | 179.5° | 180.0° |
| CAB | CAA | CAF | CAE | 0.5° | 0.3° |
| CAA | CAB | CAC | CAG | 179.8° | 180.0° |
| CAA | CAB | CAC | CAD | 0.1° | 0.4° |
| CAF | CAA | CAB | CAC | 0.2° | 0.0° |
| CAA | CAF | NAL | CAM | 5.6° | 0.3° |
| CAA | CAF | NAL | CAE | 179.0° | 179.7° |
| CAA | CAF | NAL | CAN | 178.8° | 179.7° |
| CAA | CAF | CAE | CAD | 0.5° | 0.2° |
| CAA | CAF | CAE | H12 | 179.5° | 179.7° |
| CAB | CAC | CAG | NAH | 58.3° | 7.5° |
| CAB | CAC | CAG | CAD | 179.7° | 179.6° |
| CAB | CAC | CAG | NAK | 121.5° | 172.8° |
| CAB | CAC | CAD | CAE | 0.1° | 0.4° |
| CAB | CAC | CAD | CL1 | 179.6° | 179.7° |
| CAC | CAB | CAA | H11 | 179.8° | 180.0° |
| CAO | CAM | NAL | H4 | 119.1° | 120.0° |
| CAO | CAM | NAL | H5 | 119.1° | 120.0° |
| CAM | CAO | OAP | H2 | 119.7° | 120.0° |
| CAM | CAO | OAP | H3 | 119.6° | 120.1° |
| CAO | CAM | NAL | CAF | 68.9° | 90.0° |
| CAO | CAM | NAL | CAN | 104.8° | 90.0° |
| CAM | CAO | OAP | H1 | 180.0° | 180.0° |
| CAM | CAO | H2 | H3 | 121.1° | 120.0° |
| CAO | CAM | H4 | H5 | 122.6° | 120.0° |
| NAL | CAM | CAO | OAP | 101.1° | 65.0° |
| CAM | NAL | CAF | CAN | 173.3° | 179.9° |
| CAM | NAL | CAF | CAE | 173.4° | 180.0° |
| CAM | NAL | CAN | CAQ | 106.2° | 90.0° |
| NAL | CAM | CAO | H2 | 139.3° | 55.0° |
| NAL | CAM | CAO | H3 | 18.5° | 174.9° |
| NAL | CAM | H4 | H5 | 122.6° | 120.0° |
| CAM | NAL | CAN | H6 | 14.6° | 150.0° |
| CAM | NAL | CAN | H7 | 133.0° | 30.0° |
| OAP | CAO | H2 | H3 | 121.0° | 120.0° |
| OAP | CAO | CAM | H4 | 139.8° | 175.0° |
| OAP | CAO | CAM | H5 | 18.0° | 55.0° |
| NAI | NAH | CAG | CAC | 179.8° | 179.8° |
| NAI | NAH | CAG | NAK | 0.0° | 0.4° |
| NAH | NAI | CAJ | NAK | 0.8° | 0.3° |
| NAH | NAI | CAJ | H14 | 179.2° | 179.7° |
| CAG | NAH | NAI | CAJ | 0.5° | 0.4° |
| NAH | CAG | CAC | NAK | 179.8° | 179.7° |
| NAH | CAG | CAC | CAD | 122.0° | 172.9° |
| NAH | CAG | NAK | CAJ | 0.5° | 0.3° |
| NAH | CAG | NAK | H13 | 179.5° | 179.7° |
| NAI | CAJ | NAK | CAG | 0.8° | 0.0° |
| NAI | CAJ | NAK | H14 | 180.0° | 180.0° |
| NAI | CAJ | NAK | H13 | 179.2° | 180.0° |
| NAL | CAF | CAE | CAD | 179.6° | 179.9° |
| CAF | NAL | CAN | CAQ | 80.0° | 89.9° |
| CAF | NAL | CAM | H4 | 50.2° | 150.0° |
| CAF | NAL | CAM | H5 | 172.0° | 30.0° |
| CAF | NAL | CAN | H6 | 159.2° | 30.0° |
| CAF | NAL | CAN | H7 | 40.7° | 150.0° |
| NAL | CAF | CAA | H11 | 0.5° | 0.0° |
| NAL | CAF | CAE | H12 | 0.5° | 0.0° |
| CAE | CAF | NAL | CAN | 0.2° | 0.0° |
| CAF | CAE | CAD | CAC | 0.2° | 0.1° |
| CAF | CAE | CAD | H12 | 180.0° | 179.9° |
| CAF | CAE | CAD | CL1 | 179.9° | 180.0° |
| CAE | CAF | CAA | H11 | 179.5° | 179.7° |
| NAL | CAN | CAQ | OAR | 24.2° | 65.0° |
| NAL | CAN | CAQ | H6 | 120.8° | 120.0° |
| NAL | CAN | CAQ | H7 | 120.8° | 120.0° |
| CAN | NAL | CAM | H4 | 136.1° | 30.0° |
| CAN | NAL | CAM | H5 | 14.3° | 150.0° |
| NAL | CAN | H6 | H7 | 117.5° | 120.0° |
| NAL | CAN | CAQ | H8 | 96.2° | 175.0° |
| NAL | CAN | CAQ | H9 | 144.5° | 55.0° |
| CAC | CAG | NAK | CAJ | 179.7° | 180.0° |
| CAG | CAC | CAD | CAE | 179.8° | 179.9° |
| CAG | CAC | CAD | CL1 | 0.1° | 0.1° |
| CAC | CAG | NAK | H13 | 0.3° | 0.0° |
| CAD | CAC | CAG | NAK | 58.2° | 6.8° |
| CAC | CAD | CAE | CL1 | 179.7° | 179.8° |
| CAC | CAD | CAE | H12 | 179.8° | 180.0° |
| CAG | NAK | CAJ | H13 | 180.0° | 180.0° |
| CAG | NAK | CAJ | H14 | 179.2° | 180.0° |
| OAR | CAQ | CAN | H8 | 120.3° | 120.0° |
| OAR | CAQ | CAN | H9 | 120.3° | 120.0° |
| OAR | CAQ | CAN | H6 | 96.6° | 55.0° |
| OAR | CAQ | CAN | H7 | 145.0° | 175.0° |
| OAR | CAQ | H8 | H9 | 118.9° | 120.0° |
| CL1 | CAD | CAE | H12 | 0.1° | 0.1° |
| CAQ | CAN | H6 | H7 | 117.5° | 120.0° |
| CAN | CAQ | H8 | H9 | 118.9° | 120.0° |
| CAN | CAQ | OAR | H10 | 180.0° | 180.0° |
| H1 | OAP | CAO | H2 | 60.3° | 60.0° |
| H1 | OAP | CAO | H3 | 60.4° | 60.0° |
| H2 | CAO | CAM | H4 | 20.2° | 65.0° |
| H2 | CAO | CAM | H5 | 101.6° | 175.0° |
| H3 | CAO | CAM | H4 | 100.6° | 54.9° |
| H3 | CAO | CAM | H5 | 137.6° | 65.0° |
| H6 | CAN | CAQ | H8 | 143.0° | 65.0° |
| H6 | CAN | CAQ | H9 | 23.7° | 175.0° |
| H7 | CAN | CAQ | H8 | 24.6° | 55.0° |
| H7 | CAN | CAQ | H9 | 94.7° | 65.0° |
| H8 | CAQ | OAR | H10 | 59.7° | 60.0° |
| H9 | CAQ | OAR | H10 | 59.6° | 60.0° |
| H13 | NAK | CAJ | H14 | 0.8° | 0.0° |
