EVW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
SAC | CAA | sing | 1.76Å | 1.72Å | Aromatic |
SAC | CAD | sing | 1.76Å | 1.70Å | Aromatic |
NAB | CAA | sing | 1.38Å | 1.37Å | |
CAA | NAF | doub | 1.29Å | 1.34Å | Aromatic |
CAG | CAD | doub | 1.39Å | 1.34Å | Aromatic |
CAG | CAH | sing | 1.39Å | 1.40Å | Aromatic |
CAD | CAE | sing | 1.40Å | 1.36Å | Aromatic |
OAP | CAK | doub | 1.22Å | 1.23Å | |
CAH | CAK | sing | 1.47Å | 1.41Å | |
CAH | CAI | doub | 1.40Å | 1.39Å | Aromatic |
CAK | NAL | sing | 1.35Å | 1.33Å | |
NAF | CAE | sing | 1.34Å | 1.35Å | Aromatic |
CAE | CAJ | doub | 1.41Å | 1.35Å | Aromatic |
CAJ | CAI | sing | 1.36Å | 1.40Å | Aromatic |
NAL | CAM | sing | 1.46Å | 1.47Å | |
CAM | CAN | sing | 1.51Å | 1.40Å | |
CAM | CAO | sing | 1.51Å | 1.42Å | |
CAV | CAN | doub | 1.38Å | 1.40Å | Aromatic |
CAV | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
CAN | CAW | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
CAO | CAT | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAT | CAU | sing | 1.38Å | 1.40Å | Aromatic |
CAQ | CAR | doub | 1.38Å | 1.41Å | Aromatic |
CAU | CAS | doub | 1.38Å | 1.39Å | Aromatic |
CAR | CAS | sing | 1.38Å | 1.38Å | Aromatic |
CAG | H1 | sing | 1.08Å | 1.08Å | |
NAB | H2 | sing | 0.97Å | 1.00Å | |
NAB | H3 | sing | 0.97Å | 1.00Å | |
CAJ | H4 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å | |
NAL | H6 | sing | 0.97Å | 1.00Å | |
CAM | H7 | sing | 1.09Å | 1.10Å | |
CAQ | H8 | sing | 1.08Å | 1.08Å | |
CAR | H9 | sing | 1.08Å | 1.08Å | |
CAS | H10 | sing | 1.08Å | 1.08Å | |
CAU | H11 | sing | 1.08Å | 1.08Å | |
CAT | H12 | sing | 1.08Å | 1.08Å | |
CAV | H13 | sing | 1.08Å | 1.08Å | |
CAZ | H14 | sing | 1.08Å | 1.08Å | |
CAY | H15 | sing | 1.08Å | 1.08Å | |
CAX | H16 | sing | 1.08Å | 1.08Å | |
CAW | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | SAC | CAD | 93.7° | 90.4° |
SAC | CAA | NAB | 126.6° | 124.8° |
SAC | CAA | NAF | 107.3° | 110.4° |
SAC | CAD | CAG | 130.7° | 131.1° |
SAC | CAD | CAE | 108.5° | 108.4° |
NAB | CAA | NAF | 126.1° | 124.8° |
CAA | NAB | H2 | 109.5° | 120.0° |
CAA | NAB | H3 | 109.5° | 120.0° |
CAA | NAF | CAE | 116.4° | 117.9° |
CAD | CAG | CAH | 123.1° | 120.0° |
CAG | CAD | CAE | 120.7° | 120.5° |
CAD | CAG | H1 | 118.5° | 120.1° |
CAG | CAH | CAK | 120.9° | 120.2° |
CAG | CAH | CAI | 116.5° | 119.6° |
CAH | CAG | H1 | 118.4° | 120.0° |
CAD | CAE | NAF | 114.0° | 112.9° |
CAD | CAE | CAJ | 118.1° | 118.6° |
OAP | CAK | CAH | 120.7° | 120.0° |
OAP | CAK | NAL | 117.3° | 120.0° |
CAK | CAH | CAI | 122.2° | 120.2° |
CAH | CAK | NAL | 117.7° | 120.0° |
CAH | CAI | CAJ | 118.1° | 120.6° |
CAH | CAI | H5 | 121.0° | 119.7° |
CAK | NAL | CAM | 118.5° | 120.0° |
CAK | NAL | H6 | 120.8° | 119.9° |
NAF | CAE | CAJ | 127.9° | 128.5° |
CAE | CAJ | CAI | 123.4° | 120.7° |
CAE | CAJ | H4 | 118.3° | 119.6° |
CAI | CAJ | H4 | 118.3° | 119.6° |
CAJ | CAI | H5 | 121.0° | 119.7° |
NAL | CAM | CAN | 110.1° | 109.5° |
NAL | CAM | CAO | 109.7° | 109.5° |
CAM | NAL | H6 | 120.8° | 120.0° |
NAL | CAM | H7 | 108.8° | 109.5° |
CAN | CAM | CAO | 108.8° | 109.4° |
CAM | CAN | CAV | 120.2° | 120.0° |
CAM | CAN | CAW | 119.9° | 120.0° |
CAN | CAM | H7 | 109.8° | 109.5° |
CAM | CAO | CAT | 121.7° | 120.0° |
CAM | CAO | CAQ | 121.3° | 120.0° |
CAO | CAM | H7 | 109.6° | 109.5° |
CAN | CAV | CAZ | 120.5° | 120.0° |
CAV | CAN | CAW | 119.9° | 120.0° |
CAN | CAV | H13 | 119.8° | 120.0° |
CAV | CAZ | CAY | 119.4° | 120.0° |
CAZ | CAV | H13 | 119.8° | 120.0° |
CAV | CAZ | H14 | 120.3° | 120.0° |
CAN | CAW | CAX | 119.7° | 120.0° |
CAN | CAW | H17 | 120.1° | 120.0° |
CAZ | CAY | CAX | 120.0° | 120.0° |
CAY | CAZ | H14 | 120.3° | 120.0° |
CAZ | CAY | H15 | 120.0° | 120.0° |
CAW | CAX | CAY | 120.6° | 120.0° |
CAW | CAX | H16 | 119.7° | 120.0° |
CAX | CAW | H17 | 120.2° | 120.0° |
CAX | CAY | H15 | 120.0° | 120.0° |
CAY | CAX | H16 | 119.7° | 120.0° |
CAT | CAO | CAQ | 117.0° | 120.0° |
CAO | CAT | CAU | 121.0° | 120.0° |
CAO | CAT | H12 | 119.5° | 120.0° |
CAO | CAQ | CAR | 122.2° | 120.0° |
CAO | CAQ | H8 | 118.9° | 120.0° |
CAT | CAU | CAS | 121.7° | 120.0° |
CAT | CAU | H11 | 119.1° | 120.0° |
CAU | CAT | H12 | 119.5° | 120.0° |
CAQ | CAR | CAS | 120.5° | 120.0° |
CAR | CAQ | H8 | 118.9° | 119.9° |
CAQ | CAR | H9 | 119.7° | 120.1° |
CAU | CAS | CAR | 117.6° | 120.0° |
CAU | CAS | H10 | 121.2° | 120.0° |
CAS | CAU | H11 | 119.1° | 120.0° |
CAS | CAR | H9 | 119.8° | 120.0° |
CAR | CAS | H10 | 121.2° | 120.0° |
H2 | NAB | H3 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SAC | CAA | NAB | NAF | 178.9° | 179.9° |
CAA | SAC | CAD | CAG | 178.6° | 180.0° |
CAA | SAC | CAD | CAE | 0.6° | 0.0° |
SAC | CAA | NAF | CAE | 0.9° | 0.1° |
SAC | CAA | NAB | H2 | 0.0° | 0.1° |
SAC | CAA | NAB | H3 | 120.0° | 180.0° |
CAD | SAC | CAA | NAB | 178.2° | 179.9° |
CAD | SAC | CAA | NAF | 0.9° | 0.0° |
SAC | CAD | CAG | CAE | 179.1° | 180.0° |
SAC | CAD | CAG | CAH | 178.5° | 180.0° |
SAC | CAD | CAE | NAF | 0.2° | 0.0° |
SAC | CAD | CAE | CAJ | 179.5° | 180.0° |
SAC | CAD | CAG | H1 | 1.5° | 0.2° |
NAB | CAA | NAF | CAE | 178.2° | 179.9° |
CAA | NAB | H2 | H3 | 120.0° | 179.9° |
CAA | NAF | CAE | CAD | 0.5° | 0.1° |
CAA | NAF | CAE | CAJ | 179.8° | 180.0° |
NAF | CAA | NAB | H2 | 178.9° | 179.9° |
NAF | CAA | NAB | H3 | 61.0° | 0.1° |
CAD | CAG | CAH | H1 | 180.0° | 179.8° |
CAD | CAG | CAH | CAK | 176.1° | 180.0° |
CAD | CAG | CAH | CAI | 3.4° | 0.0° |
CAG | CAD | CAE | NAF | 179.1° | 179.9° |
CAG | CAD | CAE | CAJ | 1.2° | 0.0° |
CAH | CAG | CAD | CAE | 2.4° | 0.0° |
CAG | CAH | CAK | OAP | 12.1° | 0.1° |
CAG | CAH | CAK | CAI | 172.2° | 180.0° |
CAG | CAH | CAK | NAL | 168.4° | 180.0° |
CAG | CAH | CAI | CAJ | 3.3° | 0.1° |
CAG | CAH | CAI | H5 | 176.7° | 180.0° |
CAD | CAE | NAF | CAJ | 179.6° | 179.9° |
CAD | CAE | CAJ | CAI | 1.3° | 0.1° |
CAE | CAD | CAG | H1 | 177.6° | 179.8° |
CAD | CAE | CAJ | H4 | 178.8° | 180.0° |
OAP | CAK | CAH | NAL | 156.3° | 179.9° |
OAP | CAK | CAH | CAI | 160.2° | 179.9° |
OAP | CAK | NAL | CAM | 12.4° | 0.1° |
OAP | CAK | NAL | H6 | 167.5° | 180.0° |
CAK | CAH | CAI | CAJ | 175.8° | 179.9° |
CAH | CAK | NAL | CAM | 169.6° | 180.0° |
CAK | CAH | CAG | H1 | 3.9° | 0.2° |
CAK | CAH | CAI | H5 | 4.2° | 0.0° |
CAH | CAK | NAL | H6 | 10.4° | 0.0° |
CAI | CAH | CAK | NAL | 3.9° | 0.0° |
CAH | CAI | CAJ | CAE | 2.4° | 0.1° |
CAH | CAI | CAJ | H5 | 180.0° | 179.9° |
CAI | CAH | CAG | H1 | 176.6° | 179.8° |
CAH | CAI | CAJ | H4 | 177.6° | 180.0° |
CAK | NAL | CAM | H6 | 180.0° | 180.0° |
CAK | NAL | CAM | CAN | 164.5° | 155.0° |
CAK | NAL | CAM | CAO | 75.7° | 85.0° |
CAK | NAL | CAM | H7 | 44.2° | 35.0° |
NAF | CAE | CAJ | CAI | 179.1° | 180.0° |
NAF | CAE | CAJ | H4 | 0.9° | 0.1° |
CAE | CAJ | CAI | H4 | 180.0° | 179.9° |
CAE | CAJ | CAI | H5 | 177.6° | 180.0° |
NAL | CAM | CAN | CAO | 120.3° | 120.0° |
NAL | CAM | CAN | H7 | 119.8° | 120.0° |
NAL | CAM | CAO | H7 | 119.4° | 120.0° |
NAL | CAM | CAN | CAV | 164.6° | 39.7° |
NAL | CAM | CAN | CAW | 16.1° | 140.0° |
NAL | CAM | CAO | CAT | 154.9° | 140.0° |
NAL | CAM | CAO | CAQ | 25.3° | 40.3° |
CAN | CAM | CAO | H7 | 120.1° | 120.0° |
CAM | CAN | CAV | CAW | 179.3° | 179.7° |
CAM | CAN | CAV | CAZ | 179.8° | 180.0° |
CAM | CAN | CAW | CAX | 179.4° | 179.8° |
CAN | CAM | CAO | CAT | 84.5° | 100.0° |
CAN | CAM | CAO | CAQ | 95.3° | 79.8° |
CAN | CAM | NAL | H6 | 15.5° | 25.0° |
CAM | CAN | CAV | H13 | 0.2° | 0.1° |
CAM | CAN | CAW | H17 | 0.5° | 0.0° |
CAO | CAM | CAN | CAV | 75.1° | 80.3° |
CAO | CAM | CAN | CAW | 104.2° | 100.0° |
CAM | CAO | CAT | CAQ | 179.8° | 179.8° |
CAM | CAO | CAT | CAU | 179.6° | 179.7° |
CAM | CAO | CAQ | CAR | 179.3° | 180.0° |
CAO | CAM | NAL | H6 | 104.3° | 95.0° |
CAM | CAO | CAQ | H8 | 0.7° | 0.0° |
CAM | CAO | CAT | H12 | 0.4° | 0.0° |
CAN | CAV | CAZ | H13 | 180.0° | 179.9° |
CAN | CAV | CAZ | CAY | 0.7° | 0.1° |
CAV | CAN | CAW | CAX | 0.1° | 0.5° |
CAV | CAN | CAM | H7 | 44.8° | 159.7° |
CAN | CAV | CAZ | H14 | 179.3° | 179.9° |
CAV | CAN | CAW | H17 | 179.9° | 179.7° |
CAZ | CAV | CAN | CAW | 0.5° | 0.3° |
CAV | CAZ | CAY | H14 | 180.0° | 180.0° |
CAV | CAZ | CAY | CAX | 0.5° | 0.0° |
CAV | CAZ | CAY | H15 | 179.4° | 180.0° |
CAN | CAW | CAX | H17 | 180.0° | 179.8° |
CAN | CAW | CAX | CAY | 0.0° | 0.4° |
CAW | CAN | CAM | H7 | 135.8° | 20.0° |
CAW | CAN | CAV | H13 | 179.6° | 179.8° |
CAN | CAW | CAX | H16 | 180.0° | 179.8° |
CAZ | CAY | CAX | CAW | 0.2° | 0.2° |
CAZ | CAY | CAX | H15 | 180.0° | 180.0° |
CAY | CAZ | CAV | H13 | 179.3° | 180.0° |
CAZ | CAY | CAX | H16 | 179.8° | 180.0° |
CAW | CAX | CAY | H16 | 180.0° | 179.8° |
CAW | CAX | CAY | H15 | 179.8° | 179.8° |
CAX | CAY | CAZ | H14 | 179.5° | 180.0° |
CAY | CAX | CAW | H17 | 180.0° | 179.8° |
CAO | CAT | CAU | H12 | 180.0° | 179.8° |
CAT | CAO | CAQ | CAR | 0.5° | 0.2° |
CAO | CAT | CAU | CAS | 0.1° | 0.5° |
CAT | CAO | CAM | H7 | 35.6° | 20.0° |
CAT | CAO | CAQ | H8 | 179.5° | 179.8° |
CAO | CAT | CAU | H11 | 179.9° | 179.7° |
CAQ | CAO | CAT | CAU | 0.3° | 0.5° |
CAO | CAQ | CAR | H8 | 180.0° | 180.0° |
CAO | CAQ | CAR | CAS | 0.6° | 0.0° |
CAQ | CAO | CAM | H7 | 144.6° | 160.3° |
CAO | CAQ | CAR | H9 | 179.4° | 179.9° |
CAQ | CAO | CAT | H12 | 179.8° | 179.7° |
CAT | CAU | CAS | H11 | 180.0° | 179.7° |
CAT | CAU | CAS | CAR | 0.2° | 0.3° |
CAT | CAU | CAS | H10 | 179.8° | 179.7° |
CAQ | CAR | CAS | CAU | 0.5° | 0.0° |
CAQ | CAR | CAS | H9 | 180.0° | 179.9° |
CAQ | CAR | CAS | H10 | 179.5° | 180.0° |
CAU | CAS | CAR | H10 | 180.0° | 180.0° |
CAU | CAS | CAR | H9 | 179.5° | 179.9° |
CAS | CAU | CAT | H12 | 179.9° | 179.7° |
CAS | CAR | CAQ | H8 | 179.4° | 180.0° |
CAR | CAS | CAU | H11 | 179.8° | 180.0° |
H4 | CAJ | CAI | H5 | 2.4° | 0.0° |
H6 | NAL | CAM | H7 | 135.8° | 145.0° |
H8 | CAQ | CAR | H9 | 0.7° | 0.0° |
H9 | CAR | CAS | H10 | 0.5° | 0.1° |
H10 | CAS | CAU | H11 | 0.2° | 0.0° |
H11 | CAU | CAT | H12 | 0.1° | 0.0° |
H13 | CAV | CAZ | H14 | 0.7° | 0.0° |
H14 | CAZ | CAY | H15 | 0.6° | 0.0° |
H15 | CAY | CAX | H16 | 0.2° | 0.0° |
H16 | CAX | CAW | H17 | 0.0° | 0.0° |