R75
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAG | CAC | sing | 1.36Å | 1.39Å | |
BR2 | CAB | sing | 1.89Å | 1.95Å | |
CAC | CAB | doub | 1.39Å | 1.38Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
CAB | CAA | sing | 1.38Å | 1.38Å | Aromatic |
BR1 | CAD | sing | 1.89Å | 1.94Å | |
CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAA | CAF | doub | 1.40Å | 1.39Å | Aromatic |
CAE | CAF | sing | 1.40Å | 1.38Å | Aromatic |
CAF | CAJ | sing | 1.48Å | 1.53Å | |
OAK | CAJ | doub | 1.22Å | 1.40Å | |
CAJ | CAL | sing | 1.47Å | 1.54Å | |
CAL | CAM | doub | 1.36Å | 1.40Å | Aromatic |
CAL | CAP | sing | 1.48Å | 1.48Å | Aromatic |
CAQ | CAM | sing | 1.51Å | 1.51Å | |
CAQ | CAR | sing | 1.53Å | 1.53Å | |
CAM | OAN | sing | 1.34Å | 1.30Å | Aromatic |
CAV | CAP | doub | 1.39Å | 1.40Å | Aromatic |
CAV | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAP | CAO | sing | 1.40Å | 1.38Å | Aromatic |
OAN | CAO | sing | 1.35Å | 1.33Å | Aromatic |
CAU | CAT | doub | 1.39Å | 1.39Å | Aromatic |
CAO | CAS | doub | 1.39Å | 1.42Å | Aromatic |
CAT | CAS | sing | 1.38Å | 1.38Å | Aromatic |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAE | H2 | sing | 1.08Å | 1.08Å | |
CAQ | H4 | sing | 1.09Å | 1.10Å | |
CAQ | H5 | sing | 1.09Å | 1.10Å | |
CAR | H6 | sing | 1.09Å | 1.10Å | |
CAR | H7 | sing | 1.09Å | 1.10Å | |
CAR | H8 | sing | 1.09Å | 1.10Å | |
CAS | H9 | sing | 1.08Å | 1.08Å | |
CAT | H10 | sing | 1.08Å | 1.08Å | |
CAU | H11 | sing | 1.08Å | 1.08Å | |
CAV | H12 | sing | 1.08Å | 1.08Å | |
OAG | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAG | CAC | CAB | 119.7° | 120.0° |
OAG | CAC | CAD | 120.0° | 119.9° |
CAC | OAG | H13 | 109.5° | 114.0° |
BR2 | CAB | CAC | 121.1° | 119.9° |
BR2 | CAB | CAA | 120.0° | 119.9° |
CAB | CAC | CAD | 120.2° | 120.2° |
CAC | CAB | CAA | 118.9° | 120.1° |
CAC | CAD | BR1 | 119.0° | 119.9° |
CAC | CAD | CAE | 120.8° | 120.1° |
CAB | CAA | CAF | 121.2° | 119.9° |
CAB | CAA | H1 | 119.4° | 120.1° |
BR1 | CAD | CAE | 120.2° | 120.0° |
CAD | CAE | CAF | 119.0° | 119.9° |
CAD | CAE | H2 | 120.5° | 120.0° |
CAA | CAF | CAE | 119.9° | 119.9° |
CAA | CAF | CAJ | 116.6° | 120.1° |
CAF | CAA | H1 | 119.4° | 120.0° |
CAE | CAF | CAJ | 123.4° | 120.0° |
CAF | CAE | H2 | 120.5° | 120.1° |
CAF | CAJ | OAK | 112.5° | 120.0° |
CAF | CAJ | CAL | 127.9° | 120.0° |
OAK | CAJ | CAL | 116.8° | 120.0° |
CAJ | CAL | CAM | 128.5° | 127.1° |
CAJ | CAL | CAP | 128.3° | 127.2° |
CAM | CAL | CAP | 103.1° | 105.7° |
CAL | CAM | CAQ | 127.8° | 125.1° |
CAL | CAM | OAN | 110.3° | 109.8° |
CAL | CAP | CAV | 136.0° | 134.3° |
CAL | CAP | CAO | 106.2° | 105.5° |
CAM | CAQ | CAR | 105.8° | 109.4° |
CAQ | CAM | OAN | 121.9° | 125.1° |
CAM | CAQ | H4 | 110.4° | 109.5° |
CAM | CAQ | H5 | 110.4° | 109.5° |
CAR | CAQ | H4 | 110.4° | 109.5° |
CAR | CAQ | H5 | 110.4° | 109.4° |
CAQ | CAR | H6 | 109.5° | 109.5° |
CAQ | CAR | H7 | 109.4° | 109.5° |
CAQ | CAR | H8 | 109.5° | 109.5° |
CAM | OAN | CAO | 112.0° | 111.4° |
CAP | CAV | CAU | 121.3° | 119.6° |
CAV | CAP | CAO | 117.9° | 120.3° |
CAP | CAV | H12 | 119.4° | 120.2° |
CAV | CAU | CAT | 120.4° | 120.2° |
CAV | CAU | H11 | 119.8° | 119.9° |
CAU | CAV | H12 | 119.3° | 120.2° |
CAP | CAO | OAN | 108.4° | 107.7° |
CAP | CAO | CAS | 121.3° | 119.3° |
OAN | CAO | CAS | 130.3° | 133.1° |
CAU | CAT | CAS | 119.4° | 120.6° |
CAU | CAT | H10 | 120.3° | 119.7° |
CAT | CAU | H11 | 119.8° | 119.9° |
CAO | CAS | CAT | 119.8° | 120.0° |
CAO | CAS | H9 | 120.1° | 120.0° |
CAT | CAS | H9 | 120.1° | 120.0° |
CAS | CAT | H10 | 120.3° | 119.7° |
H4 | CAQ | H5 | 109.4° | 109.5° |
H6 | CAR | H7 | 109.5° | 109.5° |
H6 | CAR | H8 | 109.5° | 109.4° |
H7 | CAR | H8 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAG | CAC | CAB | BR2 | 0.2° | 0.1° |
OAG | CAC | CAB | CAD | 179.9° | 180.0° |
OAG | CAC | CAB | CAA | 179.8° | 180.0° |
OAG | CAC | CAD | BR1 | 0.2° | 0.1° |
OAG | CAC | CAD | CAE | 179.7° | 180.0° |
BR2 | CAB | CAC | CAA | 180.0° | 179.9° |
BR2 | CAB | CAC | CAD | 179.9° | 179.9° |
BR2 | CAB | CAA | CAF | 179.0° | 180.0° |
BR2 | CAB | CAA | H1 | 1.0° | 0.3° |
CAB | CAC | CAD | BR1 | 179.9° | 180.0° |
CAB | CAC | CAD | CAE | 0.1° | 0.0° |
CAC | CAB | CAA | CAF | 1.0° | 0.0° |
CAC | CAB | CAA | H1 | 179.0° | 179.8° |
CAB | CAC | OAG | H13 | 180.0° | 90.0° |
CAD | CAC | CAB | CAA | 0.1° | 0.0° |
CAC | CAD | BR1 | CAE | 179.9° | 179.9° |
CAC | CAD | CAE | CAF | 1.0° | 0.0° |
CAC | CAD | CAE | H2 | 179.0° | 180.0° |
CAD | CAC | OAG | H13 | 0.1° | 90.1° |
CAB | CAA | CAF | H1 | 180.0° | 179.7° |
CAB | CAA | CAF | CAE | 1.9° | 0.1° |
CAB | CAA | CAF | CAJ | 178.6° | 179.7° |
BR1 | CAD | CAE | CAF | 179.1° | 179.9° |
BR1 | CAD | CAE | H2 | 0.9° | 0.1° |
CAD | CAE | CAF | CAA | 1.9° | 0.1° |
CAD | CAE | CAF | H2 | 180.0° | 180.0° |
CAD | CAE | CAF | CAJ | 178.4° | 179.7° |
CAA | CAF | CAE | CAJ | 176.5° | 179.8° |
CAA | CAF | CAJ | OAK | 24.0° | 5.3° |
CAA | CAF | CAJ | CAL | 136.0° | 174.7° |
CAA | CAF | CAE | H2 | 178.1° | 179.9° |
CAE | CAF | CAJ | OAK | 152.5° | 174.5° |
CAE | CAF | CAJ | CAL | 47.4° | 5.5° |
CAE | CAF | CAA | H1 | 178.1° | 179.8° |
CAF | CAJ | OAK | CAL | 162.5° | 180.0° |
CAF | CAJ | CAL | CAM | 82.0° | 94.9° |
CAF | CAJ | CAL | CAP | 102.3° | 85.4° |
CAJ | CAF | CAA | H1 | 1.4° | 0.0° |
CAJ | CAF | CAE | H2 | 1.6° | 0.3° |
OAK | CAJ | CAL | CAM | 77.4° | 85.1° |
OAK | CAJ | CAL | CAP | 98.3° | 94.5° |
CAJ | CAL | CAM | CAP | 176.5° | 179.7° |
CAJ | CAL | CAM | CAQ | 2.4° | 0.0° |
CAJ | CAL | CAM | OAN | 177.6° | 180.0° |
CAJ | CAL | CAP | CAV | 3.5° | 0.0° |
CAJ | CAL | CAP | CAO | 177.6° | 180.0° |
CAL | CAM | CAQ | OAN | 180.0° | 179.9° |
CAL | CAM | CAQ | CAR | 168.7° | 90.0° |
CAM | CAL | CAP | CAV | 179.9° | 179.7° |
CAM | CAL | CAP | CAO | 1.0° | 0.3° |
CAL | CAM | OAN | CAO | 0.7° | 0.2° |
CAL | CAM | CAQ | H4 | 49.3° | 150.0° |
CAL | CAM | CAQ | H5 | 71.9° | 29.9° |
CAP | CAL | CAM | CAQ | 178.9° | 179.7° |
CAP | CAL | CAM | OAN | 1.1° | 0.3° |
CAL | CAP | CAV | CAO | 178.8° | 180.0° |
CAL | CAP | CAV | CAU | 179.5° | 180.0° |
CAL | CAP | CAO | OAN | 0.6° | 0.1° |
CAL | CAP | CAO | CAS | 179.4° | 180.0° |
CAL | CAP | CAV | H12 | 0.5° | 0.0° |
CAM | CAQ | CAR | H4 | 119.4° | 120.0° |
CAM | CAQ | CAR | H5 | 119.4° | 120.0° |
CAQ | CAM | OAN | CAO | 179.3° | 179.8° |
CAM | CAQ | H4 | H5 | 121.7° | 120.1° |
CAM | CAQ | CAR | H6 | 180.0° | 60.0° |
CAM | CAQ | CAR | H7 | 60.0° | 60.0° |
CAM | CAQ | CAR | H8 | 60.0° | 180.0° |
CAR | CAQ | CAM | OAN | 11.3° | 90.0° |
CAR | CAQ | H4 | H5 | 121.7° | 120.0° |
CAQ | CAR | H6 | H7 | 120.0° | 120.1° |
CAQ | CAR | H6 | H8 | 120.0° | 120.1° |
CAQ | CAR | H7 | H8 | 120.0° | 120.0° |
CAM | OAN | CAO | CAP | 0.0° | 0.1° |
CAM | OAN | CAO | CAS | 180.0° | 179.8° |
OAN | CAM | CAQ | H4 | 130.7° | 30.0° |
OAN | CAM | CAQ | H5 | 108.1° | 150.0° |
CAP | CAV | CAU | H12 | 180.0° | 180.0° |
CAV | CAP | CAO | OAN | 179.8° | 179.9° |
CAP | CAV | CAU | CAT | 0.9° | 0.0° |
CAV | CAP | CAO | CAS | 0.2° | 0.0° |
CAP | CAV | CAU | H11 | 179.1° | 180.0° |
CAU | CAV | CAP | CAO | 0.6° | 0.0° |
CAV | CAU | CAT | H11 | 180.0° | 180.0° |
CAV | CAU | CAT | CAS | 0.7° | 0.0° |
CAV | CAU | CAT | H10 | 179.3° | 180.0° |
CAP | CAO | OAN | CAS | 180.0° | 179.8° |
CAP | CAO | CAS | CAT | 0.0° | 0.0° |
CAP | CAO | CAS | H9 | 180.0° | 180.0° |
CAO | CAP | CAV | H12 | 179.4° | 180.0° |
OAN | CAO | CAS | CAT | 180.0° | 179.9° |
OAN | CAO | CAS | H9 | 0.0° | 0.2° |
CAU | CAT | CAS | CAO | 0.2° | 0.0° |
CAU | CAT | CAS | H10 | 180.0° | 179.9° |
CAU | CAT | CAS | H9 | 179.8° | 180.0° |
CAT | CAU | CAV | H12 | 179.1° | 180.0° |
CAO | CAS | CAT | H9 | 180.0° | 180.0° |
CAO | CAS | CAT | H10 | 179.8° | 180.0° |
CAS | CAT | CAU | H11 | 179.3° | 180.0° |
H4 | CAQ | CAR | H6 | 60.6° | 180.0° |
H4 | CAQ | CAR | H7 | 179.4° | 60.0° |
H4 | CAQ | CAR | H8 | 59.5° | 60.0° |
H5 | CAQ | CAR | H6 | 60.6° | 60.0° |
H5 | CAQ | CAR | H7 | 59.5° | 180.0° |
H5 | CAQ | CAR | H8 | 179.4° | 60.0° |
H6 | CAR | H7 | H8 | 120.0° | 119.9° |
H9 | CAS | CAT | H10 | 0.2° | 0.0° |
H10 | CAT | CAU | H11 | 0.7° | 0.0° |
H11 | CAU | CAV | H12 | 0.9° | 0.0° |