N7A
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAN | CAO | sing | 1.53Å | 1.52Å | |
CAN | NAM | sing | 1.47Å | 1.45Å | |
CAO | CAP | sing | 1.53Å | 1.52Å | |
NAM | CAL | sing | 1.35Å | 1.45Å | |
CAL | NAK | sing | 1.35Å | 1.45Å | |
CAL | OAQ | doub | 1.22Å | 1.19Å | |
NAK | CAC | sing | 1.40Å | 1.45Å | |
CAP | CAR | sing | 1.53Å | 1.52Å | |
CAC | CAB | doub | 1.39Å | 1.37Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
CAR | OAS | sing | 1.43Å | 1.40Å | |
CAB | CAA | sing | 1.38Å | 1.38Å | Aromatic |
CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAA | CAF | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAF | sing | 1.38Å | 1.38Å | Aromatic |
CAF | SAG | sing | 1.76Å | 1.80Å | |
NAJ | SAG | sing | 1.66Å | 1.69Å | |
OAH | SAG | doub | 1.42Å | 1.60Å | |
SAG | OAI | doub | 1.42Å | 1.59Å | |
CAB | H1 | sing | 1.08Å | 1.08Å | |
CAA | H2 | sing | 1.08Å | 1.08Å | |
NAJ | H3 | sing | 0.97Å | 1.00Å | |
NAJ | H4 | sing | 0.97Å | 1.00Å | |
CAE | H5 | sing | 1.08Å | 1.08Å | |
CAD | H6 | sing | 1.08Å | 1.08Å | |
NAK | H7 | sing | 0.97Å | 1.00Å | |
NAM | H8 | sing | 0.97Å | 1.00Å | |
CAN | H9 | sing | 1.09Å | 1.10Å | |
CAN | H10 | sing | 1.09Å | 1.10Å | |
CAO | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAP | H13 | sing | 1.09Å | 1.10Å | |
CAP | H14 | sing | 1.09Å | 1.10Å | |
CAR | H15 | sing | 1.09Å | 1.10Å | |
CAR | H16 | sing | 1.09Å | 1.10Å | |
OAS | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAO | CAN | NAM | 108.4° | 109.4° |
CAN | CAO | CAP | 110.4° | 109.5° |
CAO | CAN | H9 | 109.7° | 109.4° |
CAO | CAN | H10 | 109.7° | 109.5° |
CAN | CAO | H11 | 109.2° | 109.4° |
CAN | CAO | H12 | 109.2° | 109.4° |
CAN | NAM | CAL | 121.0° | 120.0° |
CAN | NAM | H8 | 119.5° | 120.1° |
NAM | CAN | H9 | 109.7° | 109.5° |
NAM | CAN | H10 | 109.8° | 109.5° |
CAO | CAP | CAR | 111.3° | 109.4° |
CAP | CAO | H11 | 109.3° | 109.5° |
CAP | CAO | H12 | 109.2° | 109.5° |
CAO | CAP | H13 | 109.0° | 109.5° |
CAO | CAP | H14 | 109.0° | 109.5° |
NAM | CAL | NAK | 116.9° | 120.0° |
NAM | CAL | OAQ | 120.2° | 120.0° |
CAL | NAM | H8 | 119.5° | 120.0° |
NAK | CAL | OAQ | 122.9° | 120.0° |
CAL | NAK | CAC | 126.6° | 120.0° |
CAL | NAK | H7 | 116.7° | 120.0° |
NAK | CAC | CAB | 117.0° | 120.0° |
NAK | CAC | CAD | 121.5° | 120.1° |
CAC | NAK | H7 | 116.7° | 120.0° |
CAP | CAR | OAS | 107.6° | 109.5° |
CAR | CAP | H13 | 109.0° | 109.4° |
CAR | CAP | H14 | 109.0° | 109.5° |
CAP | CAR | H15 | 109.9° | 109.5° |
CAP | CAR | H16 | 109.9° | 109.5° |
CAB | CAC | CAD | 121.4° | 119.9° |
CAC | CAB | CAA | 119.0° | 120.0° |
CAC | CAB | H1 | 120.5° | 120.1° |
CAC | CAD | CAE | 119.7° | 119.9° |
CAC | CAD | H6 | 120.1° | 120.1° |
OAS | CAR | H15 | 109.9° | 109.4° |
OAS | CAR | H16 | 109.9° | 109.5° |
CAR | OAS | H17 | 109.5° | 114.0° |
CAB | CAA | CAF | 119.9° | 120.0° |
CAA | CAB | H1 | 120.5° | 120.0° |
CAB | CAA | H2 | 120.1° | 120.0° |
CAD | CAE | CAF | 118.4° | 120.0° |
CAD | CAE | H5 | 120.8° | 120.0° |
CAE | CAD | H6 | 120.2° | 120.0° |
CAA | CAF | CAE | 121.6° | 120.2° |
CAA | CAF | SAG | 118.4° | 119.9° |
CAF | CAA | H2 | 120.0° | 120.0° |
CAE | CAF | SAG | 120.0° | 119.9° |
CAF | CAE | H5 | 120.8° | 120.0° |
CAF | SAG | NAJ | 108.5° | 107.2° |
CAF | SAG | OAH | 105.1° | 106.3° |
CAF | SAG | OAI | 110.1° | 106.4° |
NAJ | SAG | OAH | 109.0° | 106.4° |
NAJ | SAG | OAI | 110.9° | 106.4° |
SAG | NAJ | H3 | 109.5° | 120.0° |
SAG | NAJ | H4 | 109.5° | 120.0° |
OAH | SAG | OAI | 113.1° | 123.2° |
H3 | NAJ | H4 | 109.5° | 120.0° |
H9 | CAN | H10 | 109.4° | 109.5° |
H11 | CAO | H12 | 109.5° | 109.5° |
H13 | CAP | H14 | 109.5° | 109.5° |
H15 | CAR | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAO | CAN | NAM | H9 | 119.9° | 119.9° |
CAO | CAN | NAM | H10 | 119.8° | 120.0° |
CAN | CAO | CAP | H11 | 120.1° | 120.0° |
CAN | CAO | CAP | H12 | 120.1° | 120.0° |
CAO | CAN | NAM | CAL | 129.6° | 180.0° |
CAN | CAO | CAP | CAR | 63.0° | 180.0° |
CAO | CAN | NAM | H8 | 50.4° | 0.0° |
CAO | CAN | H9 | H10 | 120.5° | 120.0° |
CAN | CAO | H11 | H12 | 119.5° | 119.9° |
CAN | CAO | CAP | H13 | 176.7° | 60.0° |
CAN | CAO | CAP | H14 | 57.2° | 60.0° |
NAM | CAN | CAO | CAP | 63.2° | 180.0° |
CAN | NAM | CAL | H8 | 180.0° | 180.0° |
CAN | NAM | CAL | NAK | 178.9° | 180.0° |
CAN | NAM | CAL | OAQ | 0.4° | 0.1° |
NAM | CAN | H9 | H10 | 120.5° | 120.0° |
NAM | CAN | CAO | H11 | 176.6° | 60.0° |
NAM | CAN | CAO | H12 | 56.9° | 60.0° |
CAO | CAP | CAR | H13 | 120.3° | 120.0° |
CAO | CAP | CAR | H14 | 120.3° | 120.0° |
CAO | CAP | CAR | OAS | 86.8° | 180.0° |
CAP | CAO | CAN | H9 | 176.9° | 60.0° |
CAP | CAO | CAN | H10 | 56.7° | 60.0° |
CAP | CAO | H11 | H12 | 119.6° | 120.1° |
CAO | CAP | H13 | H14 | 119.2° | 120.0° |
CAO | CAP | CAR | H15 | 153.5° | 60.0° |
CAO | CAP | CAR | H16 | 32.9° | 60.0° |
NAM | CAL | NAK | OAQ | 179.3° | 180.0° |
NAM | CAL | NAK | CAC | 178.0° | 174.7° |
NAM | CAL | NAK | H7 | 2.0° | 5.3° |
CAL | NAM | CAN | H9 | 110.6° | 60.1° |
CAL | NAM | CAN | H10 | 9.7° | 60.0° |
CAL | NAK | CAC | H7 | 180.0° | 180.0° |
CAL | NAK | CAC | CAB | 168.3° | 146.9° |
CAL | NAK | CAC | CAD | 14.4° | 33.6° |
NAK | CAL | NAM | H8 | 1.1° | 0.0° |
OAQ | CAL | NAK | CAC | 2.7° | 5.3° |
OAQ | CAL | NAK | H7 | 177.3° | 174.7° |
OAQ | CAL | NAM | H8 | 179.6° | 179.9° |
NAK | CAC | CAB | CAD | 177.3° | 179.4° |
NAK | CAC | CAB | CAA | 178.2° | 180.0° |
NAK | CAC | CAD | CAE | 178.2° | 180.0° |
NAK | CAC | CAB | H1 | 1.8° | 0.3° |
NAK | CAC | CAD | H6 | 1.9° | 0.3° |
CAP | CAR | OAS | H15 | 119.7° | 120.0° |
CAP | CAR | OAS | H16 | 119.7° | 120.0° |
CAR | CAP | CAO | H11 | 57.1° | 60.0° |
CAR | CAP | CAO | H12 | 176.8° | 60.0° |
CAR | CAP | H13 | H14 | 119.1° | 120.0° |
CAP | CAR | H15 | H16 | 120.9° | 120.0° |
CAP | CAR | OAS | H17 | 180.0° | 180.0° |
CAC | CAB | CAA | H1 | 180.0° | 179.7° |
CAB | CAC | CAD | CAE | 1.0° | 0.6° |
CAC | CAB | CAA | CAF | 0.1° | 0.3° |
CAC | CAB | CAA | H2 | 179.9° | 179.7° |
CAB | CAC | CAD | H6 | 179.0° | 179.7° |
CAB | CAC | NAK | H7 | 11.7° | 33.1° |
CAD | CAC | CAB | CAA | 0.9° | 0.6° |
CAC | CAD | CAE | H6 | 180.0° | 179.7° |
CAC | CAD | CAE | CAF | 0.2° | 0.3° |
CAD | CAC | CAB | H1 | 179.0° | 179.7° |
CAC | CAD | CAE | H5 | 179.8° | 179.7° |
CAD | CAC | NAK | H7 | 165.6° | 146.3° |
OAS | CAR | CAP | H13 | 33.5° | 60.0° |
OAS | CAR | CAP | H14 | 152.9° | 60.0° |
OAS | CAR | H15 | H16 | 120.9° | 120.0° |
CAB | CAA | CAF | H2 | 180.0° | 180.0° |
CAB | CAA | CAF | CAE | 0.7° | 0.0° |
CAB | CAA | CAF | SAG | 179.0° | 180.0° |
CAD | CAE | CAF | CAA | 0.6° | 0.0° |
CAD | CAE | CAF | H5 | 180.0° | 180.0° |
CAD | CAE | CAF | SAG | 178.9° | 180.0° |
CAA | CAF | CAE | SAG | 178.3° | 179.9° |
CAA | CAF | SAG | NAJ | 126.8° | 90.0° |
CAA | CAF | SAG | OAH | 10.3° | 156.5° |
CAA | CAF | SAG | OAI | 111.8° | 23.6° |
CAF | CAA | CAB | H1 | 179.9° | 180.0° |
CAA | CAF | CAE | H5 | 179.4° | 180.0° |
CAE | CAF | SAG | NAJ | 51.6° | 89.9° |
CAE | CAF | SAG | OAH | 168.0° | 23.6° |
CAE | CAF | SAG | OAI | 69.9° | 156.5° |
CAE | CAF | CAA | H2 | 179.3° | 180.0° |
CAF | CAE | CAD | H6 | 179.8° | 180.0° |
CAF | SAG | NAJ | OAH | 114.0° | 113.5° |
CAF | SAG | NAJ | OAI | 121.0° | 113.6° |
CAF | SAG | OAH | OAI | 120.1° | 122.9° |
SAG | CAF | CAA | H2 | 1.0° | 0.1° |
CAF | SAG | NAJ | H3 | 180.0° | 0.0° |
CAF | SAG | NAJ | H4 | 60.0° | 180.0° |
SAG | CAF | CAE | H5 | 1.1° | 0.1° |
NAJ | SAG | OAH | OAI | 123.8° | 123.0° |
SAG | NAJ | H3 | H4 | 120.0° | 180.0° |
OAH | SAG | NAJ | H3 | 66.0° | 113.5° |
OAH | SAG | NAJ | H4 | 54.0° | 66.5° |
OAI | SAG | NAJ | H3 | 59.0° | 113.5° |
OAI | SAG | NAJ | H4 | 179.0° | 66.5° |
H1 | CAB | CAA | H2 | 0.1° | 0.0° |
H5 | CAE | CAD | H6 | 0.2° | 0.0° |
H8 | NAM | CAN | H9 | 69.4° | 119.9° |
H8 | NAM | CAN | H10 | 170.3° | 120.0° |
H9 | CAN | CAO | H11 | 56.8° | 180.0° |
H9 | CAN | CAO | H12 | 62.9° | 60.0° |
H10 | CAN | CAO | H11 | 63.5° | 60.0° |
H10 | CAN | CAO | H12 | 176.8° | 180.0° |
H11 | CAO | CAP | H13 | 63.2° | 180.0° |
H11 | CAO | CAP | H14 | 177.4° | 60.0° |
H12 | CAO | CAP | H13 | 56.6° | 59.9° |
H12 | CAO | CAP | H14 | 62.9° | 180.0° |
H13 | CAP | CAR | H15 | 86.2° | 180.0° |
H13 | CAP | CAR | H16 | 153.2° | 60.0° |
H14 | CAP | CAR | H15 | 33.2° | 60.0° |
H14 | CAP | CAR | H16 | 87.4° | NaN° |
H15 | CAR | OAS | H17 | 60.3° | 60.0° |
H16 | CAR | OAS | H17 | 60.3° | 60.0° |