37N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAU | doub | 1.38Å | 1.38Å | Aromatic |
CAV | CAW | sing | 1.38Å | 1.40Å | Aromatic |
CAU | CAT | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
CAT | CAS | doub | 1.38Å | 1.40Å | Aromatic |
CAX | CAS | sing | 1.38Å | 1.40Å | Aromatic |
CAS | SAR | sing | 1.76Å | 1.78Å | |
OAI | CAG | doub | 1.21Å | 1.25Å | |
CAG | OAH | sing | 1.35Å | 1.26Å | |
CAG | CAF | sing | 1.48Å | 1.50Å | |
CAE | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAE | CAD | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAA | sing | 1.39Å | 1.38Å | Aromatic |
SAR | OAZ | doub | 1.42Å | 1.44Å | |
SAR | NAQ | sing | 1.66Å | 1.66Å | |
SAR | OAY | doub | 1.42Å | 1.44Å | |
NAQ | CAD | sing | 1.40Å | 1.42Å | |
CAD | CAC | doub | 1.39Å | 1.40Å | Aromatic |
CAO | CAN | sing | 1.51Å | 1.51Å | |
CAA | CAB | doub | 1.39Å | 1.39Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.39Å | Aromatic |
CAB | CAJ | sing | 1.48Å | 1.51Å | |
CAN | CAJ | sing | 1.42Å | 1.45Å | Aromatic |
CAN | NAM | doub | 1.30Å | 1.32Å | Aromatic |
CAJ | CAK | doub | 1.37Å | 1.43Å | Aromatic |
NAM | OAL | sing | 1.21Å | 1.31Å | Aromatic |
CAK | OAL | sing | 1.34Å | 1.33Å | Aromatic |
CAK | CAP | sing | 1.51Å | 1.52Å | |
CAP | H1 | sing | 1.09Å | 1.10Å | |
CAP | H2 | sing | 1.09Å | 1.10Å | |
CAP | H3 | sing | 1.09Å | 1.10Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
NAQ | H5 | sing | 0.97Å | 1.00Å | |
CAT | H6 | sing | 1.08Å | 1.08Å | |
CAU | H7 | sing | 1.08Å | 1.08Å | |
CAV | H8 | sing | 1.08Å | 1.08Å | |
CAW | H9 | sing | 1.08Å | 1.08Å | |
CAX | H10 | sing | 1.08Å | 1.08Å | |
CAE | H11 | sing | 1.08Å | 1.08Å | |
OAH | H12 | sing | 0.97Å | 0.95Å | |
CAA | H13 | sing | 1.08Å | 1.08Å | |
CAO | H14 | sing | 1.09Å | 1.10Å | |
CAO | H15 | sing | 1.09Å | 1.10Å | |
CAO | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAU | CAV | CAW | 119.9° | 120.0° |
CAV | CAU | CAT | 119.7° | 120.0° |
CAV | CAU | H7 | 120.1° | 120.0° |
CAU | CAV | H8 | 120.0° | 120.0° |
CAV | CAW | CAX | 120.5° | 120.0° |
CAW | CAV | H8 | 120.0° | 120.0° |
CAV | CAW | H9 | 119.8° | 120.0° |
CAU | CAT | CAS | 120.6° | 120.0° |
CAU | CAT | H6 | 119.7° | 120.0° |
CAT | CAU | H7 | 120.1° | 120.0° |
CAW | CAX | CAS | 119.6° | 120.0° |
CAX | CAW | H9 | 119.8° | 120.0° |
CAW | CAX | H10 | 120.2° | 120.0° |
CAT | CAS | CAX | 119.6° | 120.0° |
CAT | CAS | SAR | 119.8° | 120.0° |
CAS | CAT | H6 | 119.7° | 120.0° |
CAX | CAS | SAR | 120.6° | 120.0° |
CAS | CAX | H10 | 120.2° | 120.0° |
CAS | SAR | OAZ | 110.9° | 106.4° |
CAS | SAR | NAQ | 111.8° | 107.2° |
CAS | SAR | OAY | 112.3° | 106.4° |
OAI | CAG | OAH | 119.7° | 120.0° |
OAI | CAG | CAF | 117.8° | 120.0° |
OAH | CAG | CAF | 122.5° | 120.0° |
CAG | OAH | H12 | 109.5° | 117.0° |
CAG | CAF | CAE | 120.3° | 120.1° |
CAG | CAF | CAA | 119.8° | 120.1° |
CAF | CAE | CAD | 120.3° | 120.0° |
CAE | CAF | CAA | 119.9° | 119.8° |
CAF | CAE | H11 | 119.8° | 119.9° |
CAE | CAD | NAQ | 117.9° | 120.0° |
CAE | CAD | CAC | 119.8° | 120.1° |
CAD | CAE | H11 | 119.9° | 120.0° |
CAF | CAA | CAB | 120.3° | 119.9° |
CAF | CAA | H13 | 119.8° | 120.0° |
OAZ | SAR | NAQ | 110.4° | 106.4° |
OAZ | SAR | OAY | 99.3° | 123.2° |
NAQ | SAR | OAY | 111.5° | 106.4° |
SAR | NAQ | CAD | 123.7° | 120.0° |
SAR | NAQ | H5 | 105.8° | 120.0° |
NAQ | CAD | CAC | 122.3° | 119.9° |
CAD | NAQ | H5 | 105.8° | 120.0° |
CAD | CAC | CAB | 119.6° | 120.1° |
CAD | CAC | H4 | 120.2° | 119.9° |
CAO | CAN | CAJ | 126.9° | 126.9° |
CAO | CAN | NAM | 125.3° | 126.9° |
CAN | CAO | H14 | 109.5° | 109.5° |
CAN | CAO | H15 | 109.5° | 109.5° |
CAN | CAO | H16 | 109.5° | 109.5° |
CAA | CAB | CAC | 120.1° | 120.0° |
CAA | CAB | CAJ | 117.0° | 120.0° |
CAB | CAA | H13 | 119.8° | 120.0° |
CAC | CAB | CAJ | 122.9° | 120.0° |
CAB | CAC | H4 | 120.2° | 120.0° |
CAB | CAJ | CAN | 128.9° | 128.1° |
CAB | CAJ | CAK | 128.0° | 128.2° |
CAJ | CAN | NAM | 107.8° | 106.3° |
CAN | CAJ | CAK | 103.0° | 103.6° |
CAN | NAM | OAL | 110.5° | 111.9° |
CAJ | CAK | OAL | 107.7° | 106.3° |
CAJ | CAK | CAP | 125.5° | 126.8° |
NAM | OAL | CAK | 111.1° | 111.8° |
OAL | CAK | CAP | 126.8° | 126.9° |
CAK | CAP | H1 | 109.5° | 109.4° |
CAK | CAP | H2 | 109.5° | 109.5° |
CAK | CAP | H3 | 109.4° | 109.5° |
H1 | CAP | H2 | 109.4° | 109.5° |
H1 | CAP | H3 | 109.5° | 109.4° |
H2 | CAP | H3 | 109.5° | 109.5° |
H14 | CAO | H15 | 109.4° | 109.4° |
H14 | CAO | H16 | 109.5° | 109.5° |
H15 | CAO | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAU | CAV | CAW | H8 | 180.0° | 180.0° |
CAV | CAU | CAT | H7 | 180.0° | 179.9° |
CAU | CAV | CAW | CAX | 0.2° | 0.2° |
CAV | CAU | CAT | CAS | 0.1° | 0.0° |
CAV | CAU | CAT | H6 | 179.9° | 180.0° |
CAU | CAV | CAW | H9 | 179.8° | 180.0° |
CAW | CAV | CAU | CAT | 0.2° | 0.1° |
CAV | CAW | CAX | H9 | 180.0° | 179.8° |
CAV | CAW | CAX | CAS | 0.2° | 0.5° |
CAW | CAV | CAU | H7 | 179.8° | 180.0° |
CAV | CAW | CAX | H10 | 179.8° | 180.0° |
CAU | CAT | CAS | H6 | 180.0° | 180.0° |
CAU | CAT | CAS | CAX | 0.1° | 0.3° |
CAU | CAT | CAS | SAR | 179.7° | 180.0° |
CAT | CAU | CAV | H8 | 179.8° | 179.9° |
CAW | CAX | CAS | CAT | 0.2° | 0.6° |
CAW | CAX | CAS | H10 | 180.0° | 179.4° |
CAW | CAX | CAS | SAR | 179.7° | 179.7° |
CAX | CAW | CAV | H8 | 179.8° | 179.8° |
CAT | CAS | CAX | SAR | 179.5° | 179.7° |
CAT | CAS | SAR | OAZ | 62.3° | 151.3° |
CAT | CAS | SAR | NAQ | 61.4° | 95.2° |
CAT | CAS | SAR | OAY | 172.3° | 18.4° |
CAS | CAT | CAU | H7 | 179.9° | 179.9° |
CAT | CAS | CAX | H10 | 179.8° | 180.0° |
CAX | CAS | SAR | OAZ | 117.3° | 28.4° |
CAX | CAS | SAR | NAQ | 119.0° | 85.1° |
CAX | CAS | SAR | OAY | 7.2° | 161.3° |
CAX | CAS | CAT | H6 | 179.9° | 179.7° |
CAS | CAX | CAW | H9 | 179.8° | 179.7° |
CAS | SAR | OAZ | NAQ | 124.5° | 114.1° |
CAS | SAR | OAZ | OAY | 118.3° | 122.9° |
CAS | SAR | NAQ | OAY | 126.7° | 113.5° |
CAS | SAR | NAQ | CAD | 65.8° | 61.6° |
CAS | SAR | NAQ | H5 | 172.3° | 118.3° |
SAR | CAS | CAT | H6 | 0.4° | 0.0° |
SAR | CAS | CAX | H10 | 0.3° | 0.3° |
OAI | CAG | OAH | CAF | 176.6° | 179.9° |
OAI | CAG | CAF | CAE | 4.4° | 180.0° |
OAI | CAG | CAF | CAA | 174.0° | 0.2° |
OAI | CAG | OAH | H12 | 0.0° | 0.1° |
OAH | CAG | CAF | CAE | 179.0° | 0.1° |
OAH | CAG | CAF | CAA | 2.6° | 179.7° |
CAG | CAF | CAE | CAA | 178.4° | 179.8° |
CAG | CAF | CAE | CAD | 178.8° | 180.0° |
CAG | CAF | CAA | CAB | 178.7° | 179.7° |
CAG | CAF | CAE | H11 | 1.2° | 0.2° |
CAF | CAG | OAH | H12 | 176.6° | 180.0° |
CAG | CAF | CAA | H13 | 1.3° | 0.2° |
CAF | CAE | CAD | H11 | 180.0° | 179.8° |
CAF | CAE | CAD | NAQ | 179.3° | 180.0° |
CAF | CAE | CAD | CAC | 0.2° | 0.0° |
CAE | CAF | CAA | CAB | 0.2° | 0.5° |
CAE | CAF | CAA | H13 | 179.8° | 180.0° |
CAD | CAE | CAF | CAA | 0.4° | 0.2° |
CAE | CAD | NAQ | SAR | 128.4° | 46.2° |
CAE | CAD | NAQ | CAC | 179.5° | 180.0° |
CAE | CAD | CAC | CAB | 0.2° | 0.0° |
CAE | CAD | CAC | H4 | 179.9° | 179.9° |
CAE | CAD | NAQ | H5 | 109.6° | 133.8° |
CAF | CAA | CAB | H13 | 180.0° | 179.6° |
CAF | CAA | CAB | CAC | 0.1° | 0.5° |
CAF | CAA | CAB | CAJ | 179.8° | 179.7° |
CAA | CAF | CAE | H11 | 179.6° | 180.0° |
OAZ | SAR | NAQ | OAY | 109.4° | 132.9° |
OAZ | SAR | NAQ | CAD | 170.2° | 175.2° |
OAZ | SAR | NAQ | H5 | 48.3° | 4.8° |
SAR | NAQ | CAD | H5 | 121.9° | 179.9° |
SAR | NAQ | CAD | CAC | 52.1° | 133.7° |
OAY | SAR | NAQ | CAD | 60.9° | 51.9° |
OAY | SAR | NAQ | H5 | 61.1° | 128.2° |
NAQ | CAD | CAC | CAB | 179.6° | 180.0° |
NAQ | CAD | CAC | H4 | 0.4° | 0.1° |
NAQ | CAD | CAE | H11 | 0.7° | 0.3° |
CAD | CAC | CAB | CAA | 0.3° | 0.3° |
CAD | CAC | CAB | H4 | 180.0° | 179.9° |
CAD | CAC | CAB | CAJ | 179.6° | 180.0° |
CAC | CAD | NAQ | H5 | 69.8° | 46.2° |
CAC | CAD | CAE | H11 | 179.8° | 179.8° |
CAO | CAN | CAJ | CAB | 1.9° | 0.0° |
CAO | CAN | CAJ | NAM | 179.8° | 180.0° |
CAO | CAN | CAJ | CAK | 179.9° | 180.0° |
CAO | CAN | NAM | OAL | 179.7° | 180.0° |
CAN | CAO | H14 | H15 | 120.0° | 120.0° |
CAN | CAO | H14 | H16 | 120.0° | 120.0° |
CAN | CAO | H15 | H16 | 120.0° | 120.0° |
CAA | CAB | CAC | CAJ | 179.9° | 179.8° |
CAA | CAB | CAJ | CAN | 95.5° | 114.8° |
CAA | CAB | CAJ | CAK | 82.0° | 65.2° |
CAA | CAB | CAC | H4 | 179.7° | 179.8° |
CAC | CAB | CAJ | CAN | 84.4° | 65.0° |
CAC | CAB | CAJ | CAK | 98.1° | 115.0° |
CAC | CAB | CAA | H13 | 179.9° | 179.9° |
CAB | CAJ | CAN | CAK | 178.0° | 180.0° |
CAB | CAJ | CAN | NAM | 177.9° | 180.0° |
CAB | CAJ | CAK | OAL | 178.3° | 180.0° |
CAB | CAJ | CAK | CAP | 0.7° | 0.2° |
CAJ | CAB | CAC | H4 | 0.4° | 0.0° |
CAJ | CAB | CAA | H13 | 0.2° | 0.2° |
CAJ | CAN | NAM | OAL | 0.5° | 0.0° |
CAN | CAJ | CAK | OAL | 0.3° | 0.0° |
CAN | CAJ | CAK | CAP | 178.8° | 179.7° |
CAJ | CAN | CAO | H14 | 179.8° | 90.0° |
CAJ | CAN | CAO | H15 | 59.8° | 150.0° |
CAJ | CAN | CAO | H16 | 60.2° | 30.0° |
NAM | CAN | CAJ | CAK | 0.1° | 0.0° |
CAN | NAM | OAL | CAK | 0.7° | 0.1° |
NAM | CAN | CAO | H14 | 0.0° | 90.0° |
NAM | CAN | CAO | H15 | 120.0° | 30.0° |
NAM | CAN | CAO | H16 | 120.0° | 150.0° |
CAJ | CAK | OAL | NAM | 0.6° | 0.0° |
CAJ | CAK | OAL | CAP | 179.0° | 179.7° |
CAJ | CAK | CAP | H1 | 178.9° | 179.7° |
CAJ | CAK | CAP | H2 | 61.1° | 59.7° |
CAJ | CAK | CAP | H3 | 58.8° | 60.3° |
NAM | OAL | CAK | CAP | 178.4° | 179.8° |
OAL | CAK | CAP | H1 | 0.0° | 0.1° |
OAL | CAK | CAP | H2 | 120.0° | 119.9° |
OAL | CAK | CAP | H3 | 120.0° | 120.0° |
CAK | CAP | H1 | H2 | 120.0° | 120.0° |
CAK | CAP | H1 | H3 | 120.0° | 120.0° |
CAK | CAP | H2 | H3 | 120.0° | 120.1° |
H1 | CAP | H2 | H3 | 120.0° | 120.0° |
H6 | CAT | CAU | H7 | 0.1° | 0.1° |
H7 | CAU | CAV | H8 | 0.2° | 0.0° |
H8 | CAV | CAW | H9 | 0.2° | 0.0° |
H9 | CAW | CAX | H10 | 0.2° | 0.2° |
H14 | CAO | H15 | H16 | 120.0° | 120.0° |