N7M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAQ | CAO | sing | 1.43Å | 1.19Å | |
CAO | CAN | sing | 1.53Å | 1.52Å | |
CAN | NAM | sing | 1.47Å | 1.46Å | |
OAP | CAL | doub | 1.22Å | 1.19Å | |
NAM | CAL | sing | 1.35Å | 1.46Å | |
CAL | NAK | sing | 1.35Å | 1.45Å | |
NAK | CAC | sing | 1.40Å | 1.46Å | |
CAC | CAD | doub | 1.39Å | 1.38Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.38Å | Aromatic |
CAD | CAE | sing | 1.38Å | 1.39Å | Aromatic |
CAB | CAA | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAA | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CAF | SAG | sing | 1.76Å | 1.80Å | |
NAJ | SAG | sing | 1.66Å | 1.67Å | |
OAI | SAG | doub | 1.42Å | 1.59Å | |
SAG | OAH | doub | 1.42Å | 1.58Å | |
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 | |
OAQ | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAQ | CAO | CAN | 118.6° | 109.4° |
OAQ | CAO | H11 | 107.1° | 109.5° |
OAQ | CAO | H12 | 107.2° | 109.5° |
CAO | OAQ | H13 | 109.5° | 114.0° |
CAO | CAN | NAM | 112.7° | 109.5° |
CAO | CAN | H9 | 108.7° | 109.5° |
CAO | CAN | H10 | 108.7° | 109.4° |
CAN | CAO | H11 | 107.2° | 109.4° |
CAN | CAO | H12 | 107.1° | 109.5° |
CAN | NAM | CAL | 121.9° | 120.0° |
CAN | NAM | H8 | 119.1° | 120.0° |
NAM | CAN | H9 | 108.7° | 109.5° |
NAM | CAN | H10 | 108.6° | 109.5° |
OAP | CAL | NAM | 120.3° | 120.0° |
OAP | CAL | NAK | 117.7° | 120.0° |
NAM | CAL | NAK | 121.9° | 120.0° |
CAL | NAM | H8 | 119.0° | 120.0° |
CAL | NAK | CAC | 125.2° | 120.0° |
CAL | NAK | H7 | 117.4° | 120.0° |
NAK | CAC | CAD | 123.9° | 120.1° |
NAK | CAC | CAB | 116.3° | 120.1° |
CAC | NAK | H7 | 117.4° | 120.0° |
CAD | CAC | CAB | 119.8° | 119.8° |
CAC | CAD | CAE | 121.5° | 119.9° |
CAC | CAD | H6 | 119.2° | 120.0° |
CAC | CAB | CAA | 119.5° | 119.9° |
CAC | CAB | H1 | 120.3° | 120.0° |
CAD | CAE | CAF | 118.2° | 120.1° |
CAD | CAE | H5 | 120.9° | 119.9° |
CAE | CAD | H6 | 119.2° | 120.1° |
CAB | CAA | CAF | 120.8° | 120.0° |
CAA | CAB | H1 | 120.3° | 120.1° |
CAB | CAA | H2 | 119.6° | 120.0° |
CAE | CAF | CAA | 120.2° | 120.1° |
CAE | CAF | SAG | 119.8° | 120.0° |
CAF | CAE | H5 | 120.9° | 119.9° |
CAA | CAF | SAG | 120.0° | 119.9° |
CAF | CAA | H2 | 119.6° | 120.0° |
CAF | SAG | NAJ | 109.1° | 107.2° |
CAF | SAG | OAI | 105.8° | 106.4° |
CAF | SAG | OAH | 108.6° | 106.4° |
NAJ | SAG | OAI | 109.4° | 106.4° |
NAJ | SAG | OAH | 110.4° | 106.4° |
SAG | NAJ | H3 | 109.5° | 120.0° |
SAG | NAJ | H4 | 109.5° | 120.0° |
OAI | SAG | OAH | 113.3° | 123.2° |
H3 | NAJ | H4 | 109.5° | 120.0° |
H9 | CAN | H10 | 109.5° | 109.5° |
H11 | CAO | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAQ | CAO | CAN | H11 | 121.3° | 119.9° |
OAQ | CAO | CAN | H12 | 121.3° | 120.0° |
OAQ | CAO | CAN | NAM | 163.5° | 65.0° |
OAQ | CAO | CAN | H9 | 43.0° | 55.0° |
OAQ | CAO | CAN | H10 | 76.1° | 175.0° |
OAQ | CAO | H11 | H12 | 115.9° | 120.1° |
CAO | CAN | NAM | H9 | 120.5° | 120.0° |
CAO | CAN | NAM | H10 | 120.5° | 120.0° |
CAO | CAN | NAM | CAL | 63.5° | 180.0° |
CAO | CAN | NAM | H8 | 116.5° | 0.0° |
CAO | CAN | H9 | H10 | 118.5° | 120.0° |
CAN | CAO | H11 | H12 | 115.9° | 120.0° |
CAN | CAO | OAQ | H13 | 180.0° | 180.0° |
CAN | NAM | CAL | OAP | 0.9° | 0.1° |
CAN | NAM | CAL | H8 | 180.0° | 180.0° |
CAN | NAM | CAL | NAK | 178.1° | 180.0° |
NAM | CAN | H9 | H10 | 118.5° | 120.0° |
NAM | CAN | CAO | H11 | 75.3° | 175.0° |
NAM | CAN | CAO | H12 | 42.2° | 55.0° |
OAP | CAL | NAM | NAK | 179.0° | 180.0° |
OAP | CAL | NAK | CAC | 178.8° | 4.6° |
OAP | CAL | NAK | H7 | 1.2° | 175.3° |
OAP | CAL | NAM | H8 | 179.1° | 180.0° |
NAM | CAL | NAK | CAC | 2.1° | 175.4° |
NAM | CAL | NAK | H7 | 177.9° | 4.7° |
CAL | NAM | CAN | H9 | 57.0° | 60.0° |
CAL | NAM | CAN | H10 | 176.0° | 60.1° |
CAL | NAK | CAC | H7 | 180.0° | 179.9° |
CAL | NAK | CAC | CAD | 21.0° | 144.9° |
CAL | NAK | CAC | CAB | 158.5° | 35.5° |
NAK | CAL | NAM | H8 | 1.9° | 0.0° |
NAK | CAC | CAD | CAB | 179.5° | 179.5° |
NAK | CAC | CAD | CAE | 178.8° | 180.0° |
NAK | CAC | CAB | CAA | 180.0° | 180.0° |
NAK | CAC | CAB | H1 | 0.0° | 0.2° |
NAK | CAC | CAD | H6 | 1.2° | 0.2° |
CAC | CAD | CAE | H6 | 180.0° | 179.7° |
CAD | CAC | CAB | CAA | 0.5° | 0.5° |
CAC | CAD | CAE | CAF | 1.5° | 0.3° |
CAD | CAC | CAB | H1 | 179.6° | 179.8° |
CAC | CAD | CAE | H5 | 178.5° | 179.8° |
CAD | CAC | NAK | H7 | 159.0° | 35.1° |
CAB | CAC | CAD | CAE | 0.7° | 0.5° |
CAC | CAB | CAA | H1 | 180.0° | 179.8° |
CAC | CAB | CAA | CAF | 0.9° | 0.2° |
CAC | CAB | CAA | H2 | 179.1° | 179.8° |
CAB | CAC | CAD | H6 | 179.3° | 179.8° |
CAB | CAC | NAK | H7 | 21.5° | 144.4° |
CAD | CAE | CAF | H5 | 180.0° | 180.0° |
CAD | CAE | CAF | CAA | 1.1° | 0.0° |
CAD | CAE | CAF | SAG | 180.0° | 180.0° |
CAB | CAA | CAF | CAE | 0.1° | 0.0° |
CAB | CAA | CAF | H2 | 180.0° | 180.0° |
CAB | CAA | CAF | SAG | 178.9° | 180.0° |
CAE | CAF | CAA | SAG | 178.9° | 180.0° |
CAE | CAF | SAG | NAJ | 129.0° | 90.0° |
CAE | CAF | SAG | OAI | 11.4° | 156.5° |
CAE | CAF | SAG | OAH | 110.6° | 23.5° |
CAE | CAF | CAA | H2 | 179.9° | 180.0° |
CAF | CAE | CAD | H6 | 178.5° | 180.0° |
CAA | CAF | SAG | NAJ | 49.9° | 90.0° |
CAA | CAF | SAG | OAI | 167.6° | 23.5° |
CAA | CAF | SAG | OAH | 70.4° | 156.5° |
CAF | CAA | CAB | H1 | 179.2° | 180.0° |
CAA | CAF | CAE | H5 | 178.9° | 180.0° |
CAF | SAG | NAJ | OAI | 115.4° | 113.6° |
CAF | SAG | NAJ | OAH | 119.3° | 113.5° |
CAF | SAG | OAI | OAH | 118.9° | 122.9° |
SAG | CAF | CAA | H2 | 1.2° | 0.0° |
CAF | SAG | NAJ | H3 | 180.0° | 150.0° |
CAF | SAG | NAJ | H4 | 60.0° | 30.1° |
SAG | CAF | CAE | H5 | 0.0° | 0.0° |
NAJ | SAG | OAI | OAH | 123.6° | 123.0° |
SAG | NAJ | H3 | H4 | 120.0° | 179.9° |
OAI | SAG | NAJ | H3 | 64.7° | 96.4° |
OAI | SAG | NAJ | H4 | 55.4° | 83.5° |
OAH | SAG | NAJ | H3 | 60.7° | 36.6° |
OAH | SAG | NAJ | H4 | 179.3° | 143.6° |
H1 | CAB | CAA | H2 | 0.9° | 0.0° |
H5 | CAE | CAD | H6 | 1.5° | 0.0° |
H8 | NAM | CAN | H9 | 123.0° | 120.0° |
H8 | NAM | CAN | H10 | 4.0° | 120.0° |
H9 | CAN | CAO | H11 | 164.3° | 64.9° |
H9 | CAN | CAO | H12 | 78.3° | 175.0° |
H10 | CAN | CAO | H11 | 45.2° | 55.0° |
H10 | CAN | CAO | H12 | 162.6° | 65.0° |
H11 | CAO | OAQ | H13 | 58.7° | 60.0° |
H12 | CAO | OAQ | H13 | 58.7° | 60.0° |