DWV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CLC | CAP | sing | 1.74Å | 1.70Å | |
CLD | CAQ | sing | 1.74Å | 1.73Å | |
CAP | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
CAP | CAG | sing | 1.39Å | 1.43Å | Aromatic |
CAQ | CAH | sing | 1.38Å | 1.33Å | Aromatic |
CAG | CAF | doub | 1.38Å | 1.34Å | Aromatic |
CAH | CAO | doub | 1.40Å | 1.45Å | Aromatic |
CAF | CAO | sing | 1.40Å | 1.38Å | Aromatic |
CAO | CAE | sing | 1.47Å | 1.55Å | |
CAE | CAT | doub | 1.36Å | 1.55Å | |
SAN | CAT | sing | 1.78Å | 1.70Å | |
SAN | CAR | sing | 1.77Å | 1.74Å | |
CAT | CAS | sing | 1.47Å | 1.45Å | |
CAL | CAJ | sing | 1.53Å | 1.48Å | |
CAL | NAV | sing | 1.47Å | 1.43Å | |
CAR | NAV | sing | 1.37Å | 1.44Å | |
CAR | NAM | doub | 1.31Å | 1.37Å | |
CAJ | NAU | sing | 1.47Å | 1.43Å | |
CAS | NAM | sing | 1.32Å | 1.38Å | |
CAS | OAB | doub | 1.22Å | 1.39Å | |
NAV | CAK | sing | 1.47Å | 1.44Å | |
NAU | CAA | sing | 1.47Å | 1.41Å | |
NAU | CAI | sing | 1.47Å | 1.43Å | |
CAK | CAI | sing | 1.53Å | 1.49Å | |
CAK | H1 | sing | 1.09Å | 1.10Å | |
CAK | H2 | sing | 1.09Å | 1.10Å | |
CAI | H3 | sing | 1.09Å | 1.10Å | |
CAI | H4 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAA | H7 | sing | 1.09Å | 1.10Å | |
CAA | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAJ | H10 | sing | 1.09Å | 1.10Å | |
CAL | H11 | sing | 1.09Å | 1.10Å | |
CAL | H12 | sing | 1.09Å | 1.10Å | |
CAE | H13 | sing | 1.08Å | 1.08Å | |
CAH | H15 | sing | 1.08Å | 1.08Å | |
CAG | H16 | sing | 1.08Å | 1.08Å | |
CAF | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CLC | CAP | CAQ | 122.8° | 119.9° |
CLC | CAP | CAG | 117.1° | 119.9° |
CLD | CAQ | CAP | 122.3° | 119.9° |
CLD | CAQ | CAH | 118.3° | 120.0° |
CAQ | CAP | CAG | 120.1° | 120.3° |
CAP | CAQ | CAH | 119.4° | 120.1° |
CAP | CAG | CAF | 120.4° | 120.2° |
CAP | CAG | H16 | 119.8° | 119.9° |
CAQ | CAH | CAO | 119.6° | 119.8° |
CAQ | CAH | H15 | 120.2° | 120.1° |
CAG | CAF | CAO | 119.7° | 119.8° |
CAF | CAG | H16 | 119.8° | 119.9° |
CAG | CAF | H17 | 120.2° | 120.0° |
CAH | CAO | CAF | 120.8° | 119.7° |
CAH | CAO | CAE | 121.8° | 120.2° |
CAO | CAH | H15 | 120.2° | 120.1° |
CAF | CAO | CAE | 117.3° | 120.2° |
CAO | CAF | H17 | 120.2° | 120.1° |
CAO | CAE | CAT | 119.0° | 120.0° |
CAO | CAE | H13 | 120.5° | 120.0° |
CAE | CAT | SAN | 133.1° | 128.2° |
CAE | CAT | CAS | 122.6° | 128.2° |
CAT | CAE | H13 | 120.5° | 120.0° |
CAT | SAN | CAR | 98.0° | 94.4° |
SAN | CAT | CAS | 104.3° | 103.6° |
SAN | CAR | NAV | 129.6° | 126.5° |
SAN | CAR | NAM | 106.5° | 107.0° |
CAT | CAS | NAM | 115.8° | 114.6° |
CAT | CAS | OAB | 121.4° | 122.7° |
CAJ | CAL | NAV | 112.8° | 108.5° |
CAL | CAJ | NAU | 110.4° | 109.3° |
CAL | CAJ | H9 | 109.2° | 109.5° |
CAL | CAJ | H10 | 109.2° | 109.6° |
CAJ | CAL | H11 | 108.6° | 109.7° |
CAJ | CAL | H12 | 108.6° | 109.6° |
CAL | NAV | CAR | 122.5° | 120.9° |
CAL | NAV | CAK | 120.6° | 118.2° |
NAV | CAL | H11 | 108.6° | 109.6° |
NAV | CAL | H12 | 108.6° | 109.6° |
NAV | CAR | NAM | 123.9° | 126.5° |
CAR | NAV | CAK | 116.9° | 120.8° |
CAR | NAM | CAS | 115.5° | 120.4° |
CAJ | NAU | CAA | 118.6° | 111.0° |
CAJ | NAU | CAI | 110.7° | 111.3° |
NAU | CAJ | H9 | 109.3° | 109.5° |
NAU | CAJ | H10 | 109.3° | 109.5° |
NAM | CAS | OAB | 122.8° | 122.7° |
NAV | CAK | CAI | 116.0° | 108.5° |
NAV | CAK | H1 | 107.8° | 109.6° |
NAV | CAK | H2 | 107.8° | 109.7° |
CAA | NAU | CAI | 119.3° | 111.0° |
NAU | CAA | H6 | 109.5° | 109.4° |
NAU | CAA | H7 | 109.4° | 109.4° |
NAU | CAA | H8 | 109.5° | 109.5° |
NAU | CAI | CAK | 112.3° | 109.4° |
NAU | CAI | H3 | 108.8° | 109.5° |
NAU | CAI | H4 | 108.8° | 109.5° |
CAI | CAK | H1 | 107.8° | 109.7° |
CAI | CAK | H2 | 107.8° | 109.6° |
CAK | CAI | H3 | 108.7° | 109.5° |
CAK | CAI | H4 | 108.7° | 109.4° |
H1 | CAK | H2 | 109.5° | 109.7° |
H3 | CAI | H4 | 109.5° | 109.5° |
H6 | CAA | H7 | 109.5° | 109.5° |
H6 | CAA | H8 | 109.5° | 109.5° |
H7 | CAA | H8 | 109.5° | 109.5° |
H9 | CAJ | H10 | 109.4° | 109.4° |
H11 | CAL | H12 | 109.4° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CLC | CAP | CAQ | CLD | 0.2° | 0.0° |
CLC | CAP | CAQ | CAG | 179.8° | 179.9° |
CLC | CAP | CAQ | CAH | 179.9° | 180.0° |
CLC | CAP | CAG | CAF | 179.9° | 179.7° |
CLC | CAP | CAG | H16 | 0.1° | 0.0° |
CLD | CAQ | CAP | CAH | 180.0° | 180.0° |
CLD | CAQ | CAP | CAG | 180.0° | 180.0° |
CLD | CAQ | CAH | CAO | 179.2° | 180.0° |
CLD | CAQ | CAH | H15 | 0.8° | 0.0° |
CAQ | CAP | CAG | CAF | 0.1° | 0.3° |
CAP | CAQ | CAH | CAO | 0.7° | 0.0° |
CAP | CAQ | CAH | H15 | 179.3° | 180.0° |
CAQ | CAP | CAG | H16 | 179.9° | 180.0° |
CAG | CAP | CAQ | CAH | 0.0° | 0.0° |
CAP | CAG | CAF | H16 | 180.0° | 179.7° |
CAP | CAG | CAF | CAO | 0.7° | 0.6° |
CAP | CAG | CAF | H17 | 179.3° | 179.9° |
CAQ | CAH | CAO | H15 | 180.0° | 180.0° |
CAQ | CAH | CAO | CAF | 1.6° | 0.3° |
CAQ | CAH | CAO | CAE | 178.5° | 180.0° |
CAG | CAF | CAO | CAH | 1.5° | 0.6° |
CAG | CAF | CAO | H17 | 180.0° | 179.5° |
CAG | CAF | CAO | CAE | 178.6° | 179.7° |
CAH | CAO | CAF | CAE | 177.0° | 179.7° |
CAH | CAO | CAE | CAT | 51.5° | 20.6° |
CAH | CAO | CAE | H13 | 128.5° | 159.4° |
CAH | CAO | CAF | H17 | 178.5° | 179.9° |
CAF | CAO | CAE | CAT | 131.5° | 159.7° |
CAF | CAO | CAE | H13 | 48.5° | 20.3° |
CAF | CAO | CAH | H15 | 178.4° | 179.7° |
CAO | CAF | CAG | H16 | 179.3° | 179.7° |
CAO | CAE | CAT | H13 | 180.0° | 180.0° |
CAO | CAE | CAT | SAN | 2.3° | 7.2° |
CAO | CAE | CAT | CAS | 177.8° | 172.6° |
CAE | CAO | CAH | H15 | 1.5° | 0.1° |
CAE | CAO | CAF | H17 | 1.4° | 0.2° |
CAE | CAT | SAN | CAS | 179.9° | 179.8° |
CAE | CAT | SAN | CAR | 179.8° | 180.0° |
CAE | CAT | CAS | NAM | 179.9° | 179.9° |
CAE | CAT | CAS | OAB | 0.4° | 0.1° |
CAT | SAN | CAR | NAV | 178.5° | 180.0° |
CAT | SAN | CAR | NAM | 0.2° | 0.2° |
SAN | CAT | CAS | NAM | 0.0° | 0.1° |
SAN | CAT | CAS | OAB | 179.6° | 179.8° |
SAN | CAT | CAE | H13 | 177.7° | 172.7° |
CAR | SAN | CAT | CAS | 0.1° | 0.2° |
SAN | CAR | NAV | CAL | 10.2° | 179.7° |
SAN | CAR | NAV | NAM | 178.1° | 179.8° |
SAN | CAR | NAM | CAS | 0.2° | 0.2° |
SAN | CAR | NAV | CAK | 171.6° | 0.3° |
CAT | CAS | NAM | CAR | 0.1° | 0.1° |
CAT | CAS | NAM | OAB | 179.7° | 179.8° |
CAS | CAT | CAE | H13 | 2.3° | 7.4° |
CAJ | CAL | NAV | H11 | 120.5° | 119.8° |
CAJ | CAL | NAV | H12 | 120.5° | 119.6° |
CAJ | CAL | NAV | CAR | 148.4° | 128.8° |
CAL | CAJ | NAU | H9 | 120.1° | 120.0° |
CAL | CAJ | NAU | H10 | 120.1° | 120.0° |
CAJ | CAL | NAV | CAK | 29.8° | 51.2° |
CAL | CAJ | NAU | CAA | 151.8° | 172.8° |
CAL | CAJ | NAU | CAI | 64.8° | 63.1° |
CAL | CAJ | H9 | H10 | 119.6° | 120.1° |
CAJ | CAL | H11 | H12 | 118.5° | 120.5° |
CAL | NAV | CAR | CAK | 178.2° | 180.0° |
CAL | NAV | CAR | NAM | 167.9° | 0.0° |
NAV | CAL | CAJ | NAU | 50.0° | 53.9° |
CAL | NAV | CAK | CAI | 22.4° | 51.1° |
CAL | NAV | CAK | H1 | 98.5° | 170.9° |
CAL | NAV | CAK | H2 | 143.3° | 68.6° |
NAV | CAL | CAJ | H9 | 70.1° | 173.8° |
NAV | CAL | CAJ | H10 | 170.2° | 66.1° |
NAV | CAL | H11 | H12 | 118.5° | 120.5° |
NAV | CAR | NAM | CAS | 178.7° | 180.0° |
CAR | NAV | CAK | CAI | 155.9° | 128.9° |
CAR | NAV | CAK | H1 | 83.2° | 9.1° |
CAR | NAV | CAK | H2 | 35.0° | 111.4° |
CAR | NAV | CAL | H11 | 91.1° | 111.4° |
CAR | NAV | CAL | H12 | 27.9° | 9.2° |
CAR | NAM | CAS | OAB | 179.8° | 180.0° |
NAM | CAR | NAV | CAK | 10.4° | 180.0° |
CAJ | NAU | CAA | CAI | 140.2° | 124.3° |
CAJ | NAU | CAI | CAK | 56.5° | 63.1° |
CAJ | NAU | CAI | H3 | 63.9° | 176.9° |
CAJ | NAU | CAI | H4 | 176.9° | 56.9° |
CAJ | NAU | CAA | H6 | 180.0° | 64.3° |
CAJ | NAU | CAA | H7 | 60.0° | 55.7° |
CAJ | NAU | CAA | H8 | 60.0° | 175.7° |
NAU | CAJ | H9 | H10 | 119.6° | 120.0° |
NAU | CAJ | CAL | H11 | 70.5° | 65.9° |
NAU | CAJ | CAL | H12 | 170.5° | 173.5° |
NAV | CAK | CAI | NAU | 34.5° | 53.7° |
NAV | CAK | CAI | H1 | 120.9° | 119.7° |
NAV | CAK | CAI | H2 | 120.9° | 119.8° |
NAV | CAK | H1 | H2 | 117.1° | 120.5° |
NAV | CAK | CAI | H3 | 85.9° | 173.8° |
NAV | CAK | CAI | H4 | 155.0° | 66.2° |
CAK | NAV | CAL | H11 | 90.7° | 68.6° |
CAK | NAV | CAL | H12 | 150.3° | 170.8° |
CAA | NAU | CAI | CAK | 160.4° | 172.8° |
CAA | NAU | CAI | H3 | 79.2° | 52.8° |
CAA | NAU | CAI | H4 | 40.0° | 67.3° |
NAU | CAA | H6 | H7 | 120.0° | 119.9° |
NAU | CAA | H6 | H8 | 120.0° | 120.0° |
NAU | CAA | H7 | H8 | 120.0° | 120.0° |
CAA | NAU | CAJ | H9 | 88.1° | 52.8° |
CAA | NAU | CAJ | H10 | 31.6° | 67.2° |
NAU | CAI | CAK | H3 | 120.4° | 120.0° |
NAU | CAI | CAK | H4 | 120.4° | 120.0° |
NAU | CAI | CAK | H1 | 86.4° | 173.5° |
NAU | CAI | CAK | H2 | 155.5° | 66.1° |
NAU | CAI | H3 | H4 | 118.7° | 120.1° |
CAI | NAU | CAA | H6 | 39.8° | 60.1° |
CAI | NAU | CAA | H7 | 80.2° | 180.0° |
CAI | NAU | CAA | H8 | 159.8° | 60.0° |
CAI | NAU | CAJ | H9 | 55.3° | 176.9° |
CAI | NAU | CAJ | H10 | 175.0° | 56.9° |
CAI | CAK | H1 | H2 | 117.0° | 120.4° |
CAK | CAI | H3 | H4 | 118.7° | 120.0° |
H1 | CAK | CAI | H3 | 153.2° | 66.5° |
H1 | CAK | CAI | H4 | 34.1° | 53.5° |
H2 | CAK | CAI | H3 | 35.0° | 54.0° |
H2 | CAK | CAI | H4 | 84.1° | 174.0° |
H6 | CAA | H7 | H8 | 120.0° | 120.1° |
H9 | CAJ | CAL | H11 | 169.3° | 54.1° |
H9 | CAJ | CAL | H12 | 50.4° | 66.5° |
H10 | CAJ | CAL | H11 | 49.7° | 174.1° |
H10 | CAJ | CAL | H12 | 69.3° | 53.5° |
H16 | CAG | CAF | H17 | 0.7° | 0.2° |