VRO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | OAN | sing | 1.43Å | 1.50Å | |
CAI | CAG | doub | 1.38Å | 1.38Å | Aromatic |
CAI | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
CAG | CAP | sing | 1.38Å | 1.40Å | Aromatic |
OAN | CAQ | sing | 1.36Å | 1.40Å | |
CAQ | CAH | doub | 1.39Å | 1.40Å | Aromatic |
CAP | CAJ | sing | 1.51Å | 1.37Å | |
CAP | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAK | sing | 1.53Å | 1.48Å | |
CAF | CAH | sing | 1.38Å | 1.42Å | Aromatic |
CAK | CAS | sing | 1.51Å | 1.49Å | |
OAD | CAU | doub | 1.22Å | 1.22Å | |
CAS | CAU | sing | 1.47Å | 1.41Å | |
CAS | CAR | doub | 1.36Å | 1.37Å | |
CAU | NAM | sing | 1.35Å | 1.41Å | |
CAR | CAO | sing | 1.48Å | 1.47Å | |
CAR | NAL | sing | 1.38Å | 1.42Å | |
OAB | CAO | doub | 1.21Å | 1.26Å | |
NAM | CAT | sing | 1.34Å | 1.35Å | |
CAO | OAE | sing | 1.35Å | 1.25Å | |
NAL | CAT | sing | 1.34Å | 1.37Å | |
CAT | OAC | doub | 1.22Å | 1.27Å | |
OAE | H1 | sing | 0.97Å | 0.95Å | |
NAM | H2 | sing | 0.97Å | 1.00Å | |
CAK | H4 | sing | 1.09Å | 1.10Å | |
CAK | H5 | sing | 1.09Å | 1.10Å | |
CAJ | H6 | sing | 1.09Å | 1.10Å | |
CAJ | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.08Å | 1.08Å | |
CAH | H9 | sing | 1.08Å | 1.08Å | |
CAA | H10 | sing | 1.09Å | 1.10Å | |
CAA | H11 | sing | 1.09Å | 1.10Å | |
CAA | H12 | sing | 1.09Å | 1.10Å | |
CAI | H13 | sing | 1.08Å | 1.08Å | |
CAG | H14 | sing | 1.08Å | 1.08Å | |
NAL | H15 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | OAN | CAQ | 118.7° | 117.0° |
OAN | CAA | H10 | 109.5° | 109.5° |
OAN | CAA | H11 | 109.5° | 109.5° |
OAN | CAA | H12 | 109.5° | 109.5° |
CAG | CAI | CAQ | 124.7° | 120.0° |
CAI | CAG | CAP | 118.4° | 120.0° |
CAG | CAI | H13 | 117.7° | 120.0° |
CAI | CAG | H14 | 120.8° | 120.0° |
CAI | CAQ | OAN | 117.2° | 120.1° |
CAI | CAQ | CAH | 118.4° | 119.9° |
CAQ | CAI | H13 | 117.7° | 120.0° |
CAG | CAP | CAJ | 115.7° | 120.0° |
CAG | CAP | CAF | 117.3° | 120.1° |
CAP | CAG | H14 | 120.8° | 119.9° |
OAN | CAQ | CAH | 124.1° | 120.0° |
CAQ | CAH | CAF | 116.4° | 119.9° |
CAQ | CAH | H9 | 121.8° | 120.1° |
CAJ | CAP | CAF | 127.0° | 119.9° |
CAP | CAJ | CAK | 110.4° | 109.5° |
CAP | CAJ | H6 | 109.2° | 109.5° |
CAP | CAJ | H7 | 109.2° | 109.5° |
CAP | CAF | CAH | 124.6° | 120.1° |
CAP | CAF | H8 | 117.7° | 120.0° |
CAJ | CAK | CAS | 112.5° | 109.5° |
CAJ | CAK | H4 | 108.7° | 109.5° |
CAJ | CAK | H5 | 108.7° | 109.4° |
CAK | CAJ | H6 | 109.2° | 109.5° |
CAK | CAJ | H7 | 109.2° | 109.4° |
CAH | CAF | H8 | 117.7° | 119.9° |
CAF | CAH | H9 | 121.8° | 120.0° |
CAK | CAS | CAU | 118.3° | 120.8° |
CAK | CAS | CAR | 121.6° | 120.8° |
CAS | CAK | H4 | 108.7° | 109.5° |
CAS | CAK | H5 | 108.7° | 109.5° |
OAD | CAU | CAS | 125.6° | 120.6° |
OAD | CAU | NAM | 116.8° | 120.6° |
CAU | CAS | CAR | 120.1° | 118.4° |
CAS | CAU | NAM | 117.1° | 118.9° |
CAS | CAR | CAO | 125.6° | 120.3° |
CAS | CAR | NAL | 120.2° | 119.4° |
CAU | NAM | CAT | 122.5° | 120.4° |
CAU | NAM | H2 | 118.7° | 119.8° |
CAO | CAR | NAL | 114.2° | 120.3° |
CAR | CAO | OAB | 118.4° | 120.0° |
CAR | CAO | OAE | 116.3° | 120.0° |
CAR | NAL | CAT | 119.9° | 121.2° |
CAR | NAL | H15 | 120.1° | 119.4° |
OAB | CAO | OAE | 125.3° | 120.0° |
NAM | CAT | NAL | 119.8° | 121.8° |
NAM | CAT | OAC | 118.4° | 119.1° |
CAT | NAM | H2 | 118.7° | 119.8° |
CAO | OAE | H1 | 109.5° | 117.0° |
NAL | CAT | OAC | 121.3° | 119.1° |
CAT | NAL | H15 | 120.0° | 119.4° |
H4 | CAK | H5 | 109.4° | 109.5° |
H6 | CAJ | H7 | 109.5° | 109.4° |
H10 | CAA | H11 | 109.5° | 109.5° |
H10 | CAA | H12 | 109.4° | 109.5° |
H11 | CAA | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | OAN | CAQ | CAI | 18.7° | 0.0° |
CAA | OAN | CAQ | CAH | 154.9° | 180.0° |
OAN | CAA | H10 | H11 | 120.0° | 120.0° |
OAN | CAA | H10 | H12 | 120.0° | 120.0° |
OAN | CAA | H11 | H12 | 120.0° | 120.0° |
CAG | CAI | CAQ | H13 | 180.0° | 179.5° |
CAI | CAG | CAP | H14 | 180.0° | 179.5° |
CAG | CAI | CAQ | OAN | 178.4° | 179.7° |
CAG | CAI | CAQ | CAH | 4.5° | 0.3° |
CAI | CAG | CAP | CAJ | 179.7° | 179.7° |
CAI | CAG | CAP | CAF | 1.5° | 0.5° |
CAQ | CAI | CAG | CAP | 2.9° | 0.5° |
CAI | CAQ | OAN | CAH | 173.6° | 180.0° |
CAI | CAQ | CAH | CAF | 1.5° | 0.0° |
CAI | CAQ | CAH | H9 | 178.5° | 180.0° |
CAQ | CAI | CAG | H14 | 177.1° | 180.0° |
CAG | CAP | CAJ | CAF | 178.7° | 179.7° |
CAG | CAP | CAJ | CAK | 114.6° | 90.3° |
CAG | CAP | CAF | CAH | 4.4° | 0.3° |
CAG | CAP | CAJ | H6 | 5.6° | 149.7° |
CAG | CAP | CAJ | H7 | 125.2° | 29.7° |
CAG | CAP | CAF | H8 | 175.6° | 179.7° |
CAP | CAG | CAI | H13 | 177.1° | 179.9° |
OAN | CAQ | CAH | CAF | 175.0° | 180.0° |
OAN | CAQ | CAH | H9 | 5.0° | 0.0° |
CAQ | OAN | CAA | H10 | 180.0° | 60.0° |
CAQ | OAN | CAA | H11 | 60.0° | 180.0° |
CAQ | OAN | CAA | H12 | 60.0° | 60.0° |
OAN | CAQ | CAI | H13 | 1.5° | 0.2° |
CAQ | CAH | CAF | CAP | 2.9° | 0.0° |
CAQ | CAH | CAF | H9 | 180.0° | 180.0° |
CAQ | CAH | CAF | H8 | 177.2° | 180.0° |
CAH | CAQ | CAI | H13 | 175.5° | 179.8° |
CAP | CAJ | CAK | H6 | 120.1° | 120.1° |
CAP | CAJ | CAK | H7 | 120.1° | 120.0° |
CAJ | CAP | CAF | CAH | 176.9° | 180.0° |
CAP | CAJ | CAK | CAS | 58.0° | 180.0° |
CAP | CAJ | CAK | H4 | 178.4° | 59.9° |
CAP | CAJ | CAK | H5 | 62.5° | 60.0° |
CAP | CAJ | H6 | H7 | 119.5° | 120.0° |
CAJ | CAP | CAF | H8 | 3.0° | 0.0° |
CAJ | CAP | CAG | H14 | 0.3° | 0.2° |
CAF | CAP | CAJ | CAK | 66.7° | 90.0° |
CAP | CAF | CAH | H8 | 180.0° | 180.0° |
CAF | CAP | CAJ | H6 | 173.1° | 30.0° |
CAF | CAP | CAJ | H7 | 53.4° | 150.0° |
CAP | CAF | CAH | H9 | 177.1° | 180.0° |
CAF | CAP | CAG | H14 | 178.5° | 179.9° |
CAJ | CAK | CAS | H4 | 120.5° | 120.0° |
CAJ | CAK | CAS | H5 | 120.5° | 120.0° |
CAJ | CAK | CAS | CAU | 67.8° | 88.2° |
CAJ | CAK | CAS | CAR | 114.8° | 91.3° |
CAJ | CAK | H4 | H5 | 118.6° | 119.9° |
CAK | CAJ | H6 | H7 | 119.6° | 119.9° |
CAK | CAS | CAU | OAD | 5.2° | 0.2° |
CAK | CAS | CAU | CAR | 177.5° | 179.5° |
CAK | CAS | CAU | NAM | 176.6° | 180.0° |
CAK | CAS | CAR | CAO | 3.3° | 0.2° |
CAK | CAS | CAR | NAL | 179.7° | 180.0° |
CAS | CAK | H4 | H5 | 118.6° | 120.0° |
CAS | CAK | CAJ | H6 | 62.2° | 59.9° |
CAS | CAK | CAJ | H7 | 178.1° | 60.0° |
OAD | CAU | CAS | NAM | 171.4° | 179.8° |
OAD | CAU | CAS | CAR | 177.3° | 179.7° |
OAD | CAU | NAM | CAT | 179.9° | 180.0° |
OAD | CAU | NAM | H2 | 0.1° | 0.1° |
CAU | CAS | CAR | CAO | 179.3° | 179.8° |
CAU | CAS | CAR | NAL | 2.9° | 0.5° |
CAS | CAU | NAM | CAT | 7.7° | 0.2° |
CAS | CAU | NAM | H2 | 172.3° | 179.8° |
CAU | CAS | CAK | H4 | 52.7° | 31.8° |
CAU | CAS | CAK | H5 | 171.7° | 151.8° |
CAR | CAS | CAU | NAM | 5.9° | 0.5° |
CAS | CAR | CAO | NAL | 176.5° | 179.7° |
CAS | CAR | CAO | OAB | 53.0° | 6.3° |
CAS | CAR | CAO | OAE | 128.6° | 173.4° |
CAS | CAR | NAL | CAT | 1.3° | 0.3° |
CAR | CAS | CAK | H4 | 124.8° | 148.6° |
CAR | CAS | CAK | H5 | 5.7° | 28.6° |
CAS | CAR | NAL | H15 | 178.7° | 179.7° |
CAU | NAM | CAT | H2 | 180.0° | 180.0° |
CAU | NAM | CAT | NAL | 6.3° | 0.0° |
CAU | NAM | CAT | OAC | 178.4° | 179.9° |
CAR | CAO | OAB | OAE | 178.2° | 179.7° |
CAO | CAR | NAL | CAT | 178.0° | 180.0° |
CAR | CAO | OAE | H1 | 178.3° | 179.7° |
CAO | CAR | NAL | H15 | 2.0° | 0.0° |
NAL | CAR | CAO | OAB | 130.5° | 174.0° |
CAR | NAL | CAT | NAM | 2.9° | 0.0° |
NAL | CAR | CAO | OAE | 47.9° | 6.3° |
CAR | NAL | CAT | H15 | 180.0° | 180.0° |
CAR | NAL | CAT | OAC | 174.8° | 180.0° |
OAB | CAO | OAE | H1 | 0.0° | 0.0° |
NAM | CAT | NAL | OAC | 171.9° | 179.9° |
NAM | CAT | NAL | H15 | 177.1° | 180.0° |
NAL | CAT | NAM | H2 | 173.7° | 180.0° |
OAC | CAT | NAM | H2 | 1.6° | 0.0° |
OAC | CAT | NAL | H15 | 5.2° | 0.1° |
H4 | CAK | CAJ | H6 | 58.3° | 180.0° |
H4 | CAK | CAJ | H7 | 61.4° | 60.1° |
H5 | CAK | CAJ | H6 | 177.4° | 60.1° |
H5 | CAK | CAJ | H7 | 57.6° | 180.0° |
H8 | CAF | CAH | H9 | 2.8° | 0.0° |
H10 | CAA | H11 | H12 | 120.0° | 120.0° |
H13 | CAI | CAG | H14 | 2.9° | 0.4° |