L5N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAK | CAE | doub | 1.21Å | 1.23Å | |
CAF | CAB | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAL | sing | 1.39Å | 1.39Å | Aromatic |
CAE | CAB | sing | 1.48Å | 1.39Å | |
CAE | NAI | sing | 1.35Å | 1.34Å | |
CAB | CAA | sing | 1.41Å | 1.37Å | Aromatic |
CAL | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAN | NAI | sing | 1.46Å | 1.48Å | |
CAN | CAQ | sing | 1.51Å | 1.52Å | |
NAI | CAD | sing | 1.35Å | 1.33Å | |
CAA | CAD | sing | 1.47Å | 1.36Å | |
CAA | CAC | doub | 1.39Å | 1.36Å | Aromatic |
CAH | CAC | sing | 1.40Å | 1.38Å | Aromatic |
CAD | OAJ | doub | 1.21Å | 1.22Å | |
CAC | NAG | sing | 1.39Å | 1.33Å | |
CAQ | CAU | doub | 1.38Å | 1.39Å | Aromatic |
CAQ | CAT | sing | 1.38Å | 1.39Å | Aromatic |
CAU | CAY | sing | 1.38Å | 1.39Å | Aromatic |
NAG | CAM | sing | 1.35Å | 1.33Å | |
CAT | CAX | doub | 1.38Å | 1.40Å | Aromatic |
OAP | CAM | doub | 1.22Å | 1.22Å | |
CAM | CAO | sing | 1.46Å | 1.48Å | |
CAY | CBA | doub | 1.40Å | 1.39Å | Aromatic |
CAX | CBA | sing | 1.40Å | 1.39Å | Aromatic |
CAO | CAS | doub | 1.37Å | 1.34Å | Aromatic |
CAO | SAR | sing | 1.76Å | 1.67Å | Aromatic |
CBA | CBB | sing | 1.48Å | 1.51Å | |
CAS | CAW | sing | 1.37Å | 1.34Å | Aromatic |
SAR | CAV | sing | 1.71Å | 1.70Å | Aromatic |
OBD | CBB | doub | 1.21Å | 1.25Å | |
CAW | CAV | doub | 1.34Å | 1.34Å | Aromatic |
CBB | OBC | sing | 1.35Å | 1.27Å | |
CAV | CLA | sing | 1.74Å | 1.71Å | |
CAT | H1 | sing | 1.08Å | 1.08Å | |
CAX | H2 | sing | 1.08Å | 1.08Å | |
OBC | H3 | sing | 0.97Å | 0.95Å | |
CAY | H4 | sing | 1.08Å | 1.08Å | |
CAU | H5 | sing | 1.08Å | 1.08Å | |
CAN | H6 | sing | 1.09Å | 1.10Å | |
CAN | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.08Å | 1.08Å | |
CAL | H9 | sing | 1.08Å | 1.08Å | |
CAH | H10 | sing | 1.08Å | 1.08Å | |
NAG | H11 | sing | 0.97Å | 1.00Å | |
CAS | H12 | sing | 1.08Å | 1.08Å | |
CAW | H13 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAK | CAE | CAB | 125.7° | 125.7° |
OAK | CAE | NAI | 125.6° | 125.7° |
CAB | CAF | CAL | 120.1° | 119.9° |
CAF | CAB | CAE | 135.6° | 134.3° |
CAF | CAB | CAA | 118.3° | 119.9° |
CAB | CAF | H8 | 120.0° | 120.0° |
CAF | CAL | CAH | 119.7° | 120.6° |
CAL | CAF | H8 | 120.0° | 120.0° |
CAF | CAL | H9 | 120.2° | 119.7° |
CAB | CAE | NAI | 108.6° | 108.5° |
CAE | CAB | CAA | 106.1° | 105.8° |
CAE | NAI | CAN | 126.2° | 124.4° |
CAE | NAI | CAD | 108.3° | 111.1° |
CAB | CAA | CAD | 107.2° | 106.0° |
CAB | CAA | CAC | 123.0° | 119.7° |
CAL | CAH | CAC | 120.4° | 120.3° |
CAH | CAL | H9 | 120.1° | 119.7° |
CAL | CAH | H10 | 119.8° | 119.9° |
NAI | CAN | CAQ | 113.9° | 109.5° |
CAN | NAI | CAD | 125.5° | 124.5° |
NAI | CAN | H6 | 108.4° | 109.5° |
NAI | CAN | H7 | 108.4° | 109.5° |
CAN | CAQ | CAU | 119.6° | 119.8° |
CAN | CAQ | CAT | 120.7° | 119.8° |
CAQ | CAN | H6 | 108.4° | 109.4° |
CAQ | CAN | H7 | 108.4° | 109.5° |
NAI | CAD | CAA | 109.8° | 108.6° |
NAI | CAD | OAJ | 129.1° | 125.7° |
CAD | CAA | CAC | 129.8° | 134.3° |
CAA | CAD | OAJ | 121.1° | 125.7° |
CAA | CAC | CAH | 118.6° | 119.5° |
CAA | CAC | NAG | 114.2° | 120.2° |
CAH | CAC | NAG | 127.2° | 120.2° |
CAC | CAH | H10 | 119.8° | 119.8° |
CAC | NAG | CAM | 126.1° | 120.0° |
CAC | NAG | H11 | 116.9° | 120.0° |
CAU | CAQ | CAT | 119.7° | 120.3° |
CAQ | CAU | CAY | 120.3° | 120.1° |
CAQ | CAU | H5 | 119.9° | 120.0° |
CAQ | CAT | CAX | 120.0° | 120.2° |
CAQ | CAT | H1 | 120.0° | 119.9° |
CAU | CAY | CBA | 120.3° | 119.9° |
CAU | CAY | H4 | 119.9° | 120.1° |
CAY | CAU | H5 | 119.8° | 119.9° |
NAG | CAM | OAP | 128.2° | 120.0° |
NAG | CAM | CAO | 114.5° | 120.0° |
CAM | NAG | H11 | 116.9° | 120.1° |
CAT | CAX | CBA | 119.8° | 119.8° |
CAX | CAT | H1 | 120.0° | 119.9° |
CAT | CAX | H2 | 120.1° | 120.1° |
OAP | CAM | CAO | 117.3° | 120.0° |
CAM | CAO | CAS | 124.4° | 125.5° |
CAM | CAO | SAR | 121.4° | 125.5° |
CAY | CBA | CAX | 119.8° | 119.7° |
CAY | CBA | CBB | 118.0° | 120.2° |
CBA | CAY | H4 | 119.8° | 120.0° |
CAX | CBA | CBB | 122.2° | 120.1° |
CBA | CAX | H2 | 120.1° | 120.0° |
CAS | CAO | SAR | 114.2° | 109.1° |
CAO | CAS | CAW | 112.4° | 113.4° |
CAO | CAS | H12 | 123.8° | 123.3° |
CAO | SAR | CAV | 88.0° | 91.6° |
CBA | CBB | OBD | 112.6° | 120.0° |
CBA | CBB | OBC | 120.9° | 120.0° |
CAS | CAW | CAV | 111.9° | 115.0° |
CAW | CAS | H12 | 123.8° | 123.3° |
CAS | CAW | H13 | 124.1° | 122.5° |
SAR | CAV | CAW | 113.6° | 111.0° |
SAR | CAV | CLA | 124.5° | 124.5° |
OBD | CBB | OBC | 126.5° | 120.0° |
CAW | CAV | CLA | 121.9° | 124.5° |
CAV | CAW | H13 | 124.1° | 122.5° |
CBB | OBC | H3 | 109.5° | 117.0° |
H6 | CAN | H7 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAK | CAE | CAB | CAF | 1.5° | 0.1° |
OAK | CAE | CAB | NAI | 177.4° | 179.9° |
OAK | CAE | CAB | CAA | 178.6° | 179.8° |
OAK | CAE | NAI | CAN | 3.4° | 0.1° |
OAK | CAE | NAI | CAD | 178.2° | 179.6° |
CAB | CAF | CAL | H8 | 180.0° | 180.0° |
CAF | CAB | CAE | CAA | 179.9° | 179.9° |
CAF | CAB | CAE | NAI | 178.9° | 180.0° |
CAB | CAF | CAL | CAH | 0.9° | 0.0° |
CAF | CAB | CAA | CAD | 179.0° | 179.9° |
CAF | CAB | CAA | CAC | 0.7° | 0.0° |
CAB | CAF | CAL | H9 | 179.1° | 180.0° |
CAL | CAF | CAB | CAE | 179.6° | 180.0° |
CAL | CAF | CAB | CAA | 0.3° | 0.1° |
CAF | CAL | CAH | H9 | 180.0° | 179.9° |
CAF | CAL | CAH | CAC | 0.6° | 0.3° |
CAF | CAL | CAH | H10 | 179.4° | 180.0° |
CAB | CAE | NAI | CAN | 179.2° | 180.0° |
CAB | CAE | NAI | CAD | 0.8° | 0.2° |
CAE | CAB | CAA | CAD | 1.0° | 0.1° |
CAE | CAB | CAA | CAC | 179.3° | 179.9° |
CAE | CAB | CAF | H8 | 0.4° | 0.0° |
NAI | CAE | CAB | CAA | 1.2° | 0.1° |
CAE | NAI | CAN | CAD | 178.1° | 179.7° |
CAE | NAI | CAN | CAQ | 108.6° | 89.7° |
CAE | NAI | CAD | CAA | 0.2° | 0.3° |
CAE | NAI | CAD | OAJ | 179.3° | 179.8° |
CAE | NAI | CAN | H6 | 130.7° | 150.3° |
CAE | NAI | CAN | H7 | 12.0° | 30.3° |
CAB | CAA | CAD | NAI | 0.6° | 0.2° |
CAB | CAA | CAD | CAC | 178.2° | 179.8° |
CAB | CAA | CAC | CAH | 1.0° | 0.3° |
CAB | CAA | CAD | OAJ | 178.6° | 179.9° |
CAB | CAA | CAC | NAG | 179.7° | 179.8° |
CAA | CAB | CAF | H8 | 179.7° | 179.9° |
CAL | CAH | CAC | CAA | 0.4° | 0.4° |
CAL | CAH | CAC | H10 | 180.0° | 179.7° |
CAL | CAH | CAC | NAG | 179.6° | 179.6° |
CAH | CAL | CAF | H8 | 179.1° | 180.0° |
NAI | CAN | CAQ | H6 | 120.7° | 120.0° |
NAI | CAN | CAQ | H7 | 120.7° | 120.0° |
CAN | NAI | CAD | CAA | 178.5° | 180.0° |
CAN | NAI | CAD | OAJ | 2.4° | 0.1° |
NAI | CAN | CAQ | CAU | 67.1° | 90.0° |
NAI | CAN | CAQ | CAT | 114.3° | 90.5° |
NAI | CAN | H6 | H7 | 118.0° | 120.0° |
CAQ | CAN | NAI | CAD | 73.3° | 90.0° |
CAN | CAQ | CAU | CAT | 178.6° | 179.5° |
CAN | CAQ | CAU | CAY | 178.6° | 180.0° |
CAN | CAQ | CAT | CAX | 178.3° | 180.0° |
CAN | CAQ | CAT | H1 | 1.7° | 0.2° |
CAN | CAQ | CAU | H5 | 1.4° | 0.3° |
CAQ | CAN | H6 | H7 | 118.0° | 120.0° |
NAI | CAD | CAA | OAJ | 179.2° | 179.9° |
NAI | CAD | CAA | CAC | 178.7° | 180.0° |
CAD | NAI | CAN | H6 | 47.4° | 30.0° |
CAD | NAI | CAN | H7 | 166.0° | 150.0° |
CAD | CAA | CAC | CAH | 178.9° | 179.9° |
CAD | CAA | CAC | NAG | 1.8° | 0.0° |
CAA | CAC | CAH | NAG | 179.2° | 179.9° |
CAC | CAA | CAD | OAJ | 0.5° | 0.0° |
CAA | CAC | NAG | CAM | 175.8° | 155.2° |
CAA | CAC | CAH | H10 | 179.7° | 179.9° |
CAA | CAC | NAG | H11 | 4.2° | 24.8° |
CAH | CAC | NAG | CAM | 3.4° | 24.8° |
CAC | CAH | CAL | H9 | 179.4° | 179.7° |
CAH | CAC | NAG | H11 | 176.6° | 155.2° |
CAC | NAG | CAM | H11 | 180.0° | 180.0° |
CAC | NAG | CAM | OAP | 3.2° | 5.5° |
CAC | NAG | CAM | CAO | 179.2° | 174.5° |
NAG | CAC | CAH | H10 | 0.5° | 0.1° |
CAQ | CAU | CAY | H5 | 180.0° | 179.7° |
CAU | CAQ | CAT | CAX | 0.3° | 0.5° |
CAQ | CAU | CAY | CBA | 0.1° | 0.3° |
CAU | CAQ | CAT | H1 | 179.7° | 179.7° |
CAQ | CAU | CAY | H4 | 179.9° | 179.7° |
CAU | CAQ | CAN | H6 | 172.3° | 149.9° |
CAU | CAQ | CAN | H7 | 53.6° | 30.0° |
CAT | CAQ | CAU | CAY | 0.0° | 0.6° |
CAQ | CAT | CAX | H1 | 180.0° | 179.8° |
CAQ | CAT | CAX | CBA | 0.7° | 0.2° |
CAQ | CAT | CAX | H2 | 179.4° | 179.8° |
CAT | CAQ | CAU | H5 | 180.0° | 179.8° |
CAT | CAQ | CAN | H6 | 6.3° | 29.5° |
CAT | CAQ | CAN | H7 | 125.0° | 149.5° |
CAU | CAY | CBA | H4 | 180.0° | 180.0° |
CAU | CAY | CBA | CAX | 0.4° | 0.0° |
CAU | CAY | CBA | CBB | 179.8° | 180.0° |
NAG | CAM | OAP | CAO | 177.6° | 180.0° |
NAG | CAM | CAO | CAS | 12.0° | 180.0° |
NAG | CAM | CAO | SAR | 168.9° | 0.3° |
CAT | CAX | CBA | CAY | 0.7° | 0.0° |
CAT | CAX | CBA | H2 | 180.0° | 180.0° |
CAT | CAX | CBA | CBB | 180.0° | 180.0° |
OAP | CAM | CAO | CAS | 165.9° | 0.0° |
OAP | CAM | CAO | SAR | 13.2° | 179.7° |
OAP | CAM | NAG | H11 | 176.8° | 174.4° |
CAM | CAO | CAS | SAR | 179.2° | 179.8° |
CAM | CAO | CAS | CAW | 179.5° | 180.0° |
CAM | CAO | SAR | CAV | 179.4° | 179.9° |
CAO | CAM | NAG | H11 | 0.8° | 5.6° |
CAM | CAO | CAS | H12 | 0.5° | 0.0° |
CAY | CBA | CAX | CBB | 179.3° | 180.0° |
CAY | CBA | CBB | OBD | 25.6° | 180.0° |
CAY | CBA | CBB | OBC | 153.7° | 0.0° |
CAY | CBA | CAX | H2 | 179.3° | 180.0° |
CBA | CAY | CAU | H5 | 179.9° | 180.0° |
CAX | CBA | CBB | OBD | 153.7° | 0.0° |
CAX | CBA | CBB | OBC | 27.0° | 180.0° |
CBA | CAX | CAT | H1 | 179.3° | 180.0° |
CAX | CBA | CAY | H4 | 179.6° | 180.0° |
CAO | CAS | CAW | H12 | 180.0° | 180.0° |
CAS | CAO | SAR | CAV | 0.2° | 0.3° |
CAO | CAS | CAW | CAV | 0.3° | 0.0° |
CAO | CAS | CAW | H13 | 179.7° | 180.0° |
SAR | CAO | CAS | CAW | 0.3° | 0.2° |
CAO | SAR | CAV | CAW | 0.1° | 0.3° |
CAO | SAR | CAV | CLA | 179.6° | 180.0° |
SAR | CAO | CAS | H12 | 179.7° | 179.8° |
CBA | CBB | OBD | OBC | 179.3° | 180.0° |
CBB | CBA | CAX | H2 | 0.0° | 0.0° |
CBA | CBB | OBC | H3 | 179.2° | 180.0° |
CBB | CBA | CAY | H4 | 0.2° | 0.0° |
CAS | CAW | CAV | SAR | 0.1° | 0.3° |
CAS | CAW | CAV | H13 | 180.0° | 179.9° |
CAS | CAW | CAV | CLA | 179.5° | 180.0° |
SAR | CAV | CAW | CLA | 179.6° | 179.7° |
SAR | CAV | CAW | H13 | 179.9° | 179.8° |
OBD | CBB | OBC | H3 | 0.0° | 0.0° |
CAV | CAW | CAS | H12 | 179.7° | 180.0° |
CLA | CAV | CAW | H13 | 0.5° | 0.1° |
H1 | CAT | CAX | H2 | 0.7° | 0.0° |
H4 | CAY | CAU | H5 | 0.1° | 0.0° |
H8 | CAF | CAL | H9 | 0.9° | 0.0° |
H9 | CAL | CAH | H10 | 0.6° | 0.0° |
H12 | CAS | CAW | H13 | 0.3° | 0.0° |