ZYL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAX | doub | 1.22Å | 1.23Å | |
OAD | CAS | doub | 1.22Å | 1.25Å | |
CAQ | CAT | sing | 1.51Å | 1.53Å | |
CAQ | NAY | sing | 1.47Å | 1.48Å | |
CAG | CAT | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CAX | NAY | sing | 1.35Å | 1.40Å | |
CAX | CAW | sing | 1.42Å | 1.39Å | |
CAT | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAS | CAW | sing | 1.47Å | 1.53Å | |
CAS | OAB | sing | 1.35Å | 1.25Å | |
NAY | CAJ | sing | 1.36Å | 1.40Å | |
CAK | CAU | doub | 1.39Å | 1.39Å | Aromatic |
CAW | CAV | doub | 1.40Å | 1.39Å | |
CAH | CAU | sing | 1.39Å | 1.39Å | Aromatic |
CAN | CAM | sing | 1.53Å | 1.53Å | |
CAN | CAO | sing | 1.53Å | 1.53Å | |
CAP | CAO | sing | 1.53Å | 1.53Å | |
CAP | OAR | sing | 1.43Å | 1.43Å | |
CAU | OAR | sing | 1.36Å | 1.36Å | |
CAJ | CAI | doub | 1.35Å | 1.39Å | |
CAM | CAL | sing | 1.53Å | 1.53Å | |
CAA | CAL | sing | 1.53Å | 1.53Å | |
CAV | CAI | sing | 1.40Å | 1.39Å | |
CAV | OAE | sing | 1.35Å | 1.36Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
OAB | H4 | sing | 0.97Å | 0.95Å | |
OAE | H5 | sing | 0.97Å | 0.95Å | |
CAF | H6 | sing | 1.08Å | 1.08Å | |
CAG | H7 | sing | 1.08Å | 1.08Å | |
CAH | H8 | sing | 1.08Å | 1.08Å | |
CAI | H9 | sing | 1.08Å | 1.08Å | |
CAJ | H10 | sing | 1.08Å | 1.08Å | |
CAK | H11 | sing | 1.08Å | 1.08Å | |
CAL | H12 | sing | 1.09Å | 1.10Å | |
CAL | H13 | sing | 1.09Å | 1.10Å | |
CAM | H14 | sing | 1.09Å | 1.10Å | |
CAM | H15 | sing | 1.09Å | 1.10Å | |
CAN | H16 | sing | 1.09Å | 1.10Å | |
CAN | H17 | sing | 1.09Å | 1.10Å | |
CAO | H18 | sing | 1.09Å | 1.10Å | |
CAO | H19 | sing | 1.09Å | 1.10Å | |
CAP | H20 | sing | 1.09Å | 1.10Å | |
CAP | H21 | sing | 1.09Å | 1.10Å | |
CAQ | H22 | sing | 1.09Å | 1.10Å | |
CAQ | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAX | NAY | 120.0° | 120.1° |
OAC | CAX | CAW | 119.5° | 120.1° |
OAD | CAS | CAW | 117.5° | 120.0° |
OAD | CAS | OAB | 124.4° | 120.0° |
CAT | CAQ | NAY | 111.4° | 109.5° |
CAQ | CAT | CAG | 120.2° | 120.0° |
CAQ | CAT | CAK | 119.9° | 119.9° |
CAT | CAQ | H22 | 109.0° | 109.5° |
CAT | CAQ | H23 | 109.0° | 109.5° |
CAQ | NAY | CAX | 120.1° | 119.3° |
CAQ | NAY | CAJ | 120.5° | 119.4° |
NAY | CAQ | H22 | 109.0° | 109.5° |
NAY | CAQ | H23 | 109.0° | 109.5° |
CAT | CAG | CAF | 119.9° | 120.1° |
CAG | CAT | CAK | 119.9° | 120.0° |
CAT | CAG | H7 | 120.0° | 119.9° |
CAG | CAF | CAH | 120.2° | 120.1° |
CAG | CAF | H6 | 119.9° | 120.0° |
CAF | CAG | H7 | 120.0° | 120.0° |
NAY | CAX | CAW | 120.5° | 119.8° |
CAX | NAY | CAJ | 119.4° | 121.3° |
CAX | CAW | CAS | 119.2° | 120.6° |
CAX | CAW | CAV | 120.0° | 118.7° |
CAT | CAK | CAU | 120.1° | 119.9° |
CAT | CAK | H11 | 119.9° | 120.1° |
CAF | CAH | CAU | 119.9° | 119.9° |
CAH | CAF | H6 | 119.9° | 119.9° |
CAF | CAH | H8 | 120.0° | 120.0° |
CAW | CAS | OAB | 118.1° | 120.0° |
CAS | CAW | CAV | 120.9° | 120.7° |
CAS | OAB | H4 | 109.5° | 117.0° |
NAY | CAJ | CAI | 120.0° | 121.4° |
NAY | CAJ | H10 | 120.0° | 119.3° |
CAK | CAU | CAH | 119.9° | 119.9° |
CAK | CAU | OAR | 120.0° | 120.1° |
CAU | CAK | H11 | 119.9° | 120.0° |
CAW | CAV | CAI | 119.9° | 118.8° |
CAW | CAV | OAE | 120.3° | 120.6° |
CAH | CAU | OAR | 120.0° | 120.0° |
CAU | CAH | H8 | 120.1° | 120.0° |
CAM | CAN | CAO | 111.1° | 109.5° |
CAN | CAM | CAL | 111.3° | 109.5° |
CAN | CAM | H14 | 109.0° | 109.5° |
CAN | CAM | H15 | 109.0° | 109.5° |
CAM | CAN | H16 | 109.1° | 109.5° |
CAM | CAN | H17 | 109.1° | 109.5° |
CAN | CAO | CAP | 110.9° | 109.5° |
CAO | CAN | H16 | 109.1° | 109.5° |
CAO | CAN | H17 | 109.1° | 109.5° |
CAN | CAO | H18 | 109.1° | 109.5° |
CAN | CAO | H19 | 109.1° | 109.5° |
CAO | CAP | OAR | 108.3° | 109.5° |
CAP | CAO | H18 | 109.1° | 109.5° |
CAP | CAO | H19 | 109.1° | 109.4° |
CAO | CAP | H20 | 109.8° | 109.5° |
CAO | CAP | H21 | 109.8° | 109.4° |
CAP | OAR | CAU | 109.7° | 117.0° |
OAR | CAP | H20 | 109.8° | 109.5° |
OAR | CAP | H21 | 109.8° | 109.5° |
CAJ | CAI | CAV | 120.2° | 120.0° |
CAJ | CAI | H9 | 119.9° | 120.1° |
CAI | CAJ | H10 | 120.0° | 119.3° |
CAM | CAL | CAA | 110.9° | 109.5° |
CAM | CAL | H12 | 109.1° | 109.4° |
CAM | CAL | H13 | 109.1° | 109.5° |
CAL | CAM | H14 | 109.0° | 109.5° |
CAL | CAM | H15 | 109.0° | 109.5° |
CAL | CAA | H1 | 109.5° | 109.4° |
CAL | CAA | H2 | 109.5° | 109.5° |
CAL | CAA | H3 | 109.5° | 109.5° |
CAA | CAL | H12 | 109.2° | 109.5° |
CAA | CAL | H13 | 109.1° | 109.5° |
CAI | CAV | OAE | 119.8° | 120.6° |
CAV | CAI | H9 | 119.9° | 119.9° |
CAV | OAE | H5 | 109.5° | 114.0° |
H1 | CAA | H2 | 109.5° | 109.5° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.4° | 109.5° |
H12 | CAL | H13 | 109.4° | 109.5° |
H14 | CAM | H15 | 109.5° | 109.4° |
H16 | CAN | H17 | 109.5° | 109.4° |
H18 | CAO | H19 | 109.5° | 109.5° |
H20 | CAP | H21 | 109.4° | 109.5° |
H22 | CAQ | H23 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAX | NAY | CAQ | 0.9° | 0.1° |
OAC | CAX | NAY | CAW | 179.5° | 179.7° |
OAC | CAX | CAW | CAS | 0.3° | 0.0° |
OAC | CAX | NAY | CAJ | 179.9° | 180.0° |
OAC | CAX | CAW | CAV | 179.9° | 180.0° |
OAD | CAS | CAW | CAX | 21.0° | 180.0° |
OAD | CAS | CAW | OAB | 179.9° | 180.0° |
OAD | CAS | CAW | CAV | 158.7° | 0.0° |
OAD | CAS | OAB | H4 | 0.0° | 0.0° |
CAT | CAQ | NAY | H22 | 120.3° | 120.0° |
CAT | CAQ | NAY | H23 | 120.3° | 120.0° |
CAQ | CAT | CAG | CAK | 179.5° | 180.0° |
CAQ | CAT | CAG | CAF | 179.9° | 179.9° |
CAT | CAQ | NAY | CAX | 85.8° | 90.0° |
CAT | CAQ | NAY | CAJ | 95.2° | 90.0° |
CAQ | CAT | CAK | CAU | 179.8° | 179.7° |
CAQ | CAT | CAG | H7 | 0.1° | 0.0° |
CAQ | CAT | CAK | H11 | 0.3° | 0.3° |
CAT | CAQ | H22 | H23 | 119.1° | 120.0° |
NAY | CAQ | CAT | CAG | 73.8° | 90.0° |
CAQ | NAY | CAX | CAJ | 179.0° | 180.0° |
CAQ | NAY | CAX | CAW | 179.6° | 179.7° |
NAY | CAQ | CAT | CAK | 106.7° | 90.1° |
CAQ | NAY | CAJ | CAI | 179.4° | 180.0° |
CAQ | NAY | CAJ | H10 | 0.6° | 0.0° |
NAY | CAQ | H22 | H23 | 119.1° | 120.0° |
CAT | CAG | CAF | H7 | 180.0° | 180.0° |
CAT | CAG | CAF | CAH | 0.3° | 0.0° |
CAG | CAT | CAK | CAU | 0.3° | 0.3° |
CAT | CAG | CAF | H6 | 179.7° | 179.7° |
CAG | CAT | CAK | H11 | 179.7° | 179.7° |
CAG | CAT | CAQ | H22 | 46.5° | 150.0° |
CAG | CAT | CAQ | H23 | 165.9° | 30.0° |
CAF | CAG | CAT | CAK | 0.4° | 0.0° |
CAG | CAF | CAH | H6 | 180.0° | 179.7° |
CAG | CAF | CAH | CAU | 0.1° | 0.3° |
CAG | CAF | CAH | H8 | 179.9° | 179.7° |
NAY | CAX | CAW | CAS | 179.9° | 179.7° |
NAY | CAX | CAW | CAV | 0.5° | 0.3° |
CAX | NAY | CAJ | CAI | 0.4° | 0.0° |
CAX | NAY | CAJ | H10 | 179.6° | 180.0° |
CAX | NAY | CAQ | H22 | 34.5° | 30.0° |
CAX | NAY | CAQ | H23 | 153.9° | 150.0° |
CAX | CAW | CAS | CAV | 179.6° | 180.0° |
CAX | CAW | CAS | OAB | 159.2° | 0.0° |
CAW | CAX | NAY | CAJ | 0.6° | 0.3° |
CAX | CAW | CAV | CAI | 0.2° | 0.0° |
CAX | CAW | CAV | OAE | 179.8° | 180.0° |
CAT | CAK | CAU | H11 | 180.0° | 179.4° |
CAT | CAK | CAU | CAH | 0.0° | 0.6° |
CAT | CAK | CAU | OAR | 179.8° | 180.0° |
CAK | CAT | CAG | H7 | 179.6° | 180.0° |
CAK | CAT | CAQ | H22 | 133.0° | 30.0° |
CAK | CAT | CAQ | H23 | 13.6° | 150.0° |
CAF | CAH | CAU | CAK | 0.1° | 0.6° |
CAF | CAH | CAU | H8 | 180.0° | 180.0° |
CAF | CAH | CAU | OAR | 179.9° | 180.0° |
CAH | CAF | CAG | H7 | 179.7° | 180.0° |
CAS | CAW | CAV | CAI | 179.8° | 180.0° |
CAS | CAW | CAV | OAE | 0.1° | 0.0° |
CAW | CAS | OAB | H4 | 179.9° | 180.0° |
OAB | CAS | CAW | CAV | 21.2° | 180.0° |
NAY | CAJ | CAI | H10 | 180.0° | 180.0° |
NAY | CAJ | CAI | CAV | 0.1° | 0.3° |
NAY | CAJ | CAI | H9 | 179.9° | 180.0° |
CAJ | NAY | CAQ | H22 | 144.5° | 150.0° |
CAJ | NAY | CAQ | H23 | 25.1° | 30.0° |
CAK | CAU | CAH | OAR | 179.8° | 179.4° |
CAK | CAU | OAR | CAP | 104.1° | 179.5° |
CAK | CAU | CAH | H8 | 179.9° | 179.5° |
CAW | CAV | CAI | CAJ | 0.0° | 0.3° |
CAW | CAV | CAI | OAE | 180.0° | 179.9° |
CAW | CAV | OAE | H5 | 180.0° | 180.0° |
CAW | CAV | CAI | H9 | 180.0° | 179.9° |
CAH | CAU | OAR | CAP | 76.1° | 0.0° |
CAU | CAH | CAF | H6 | 179.9° | 180.0° |
CAH | CAU | CAK | H11 | 180.0° | 180.0° |
CAM | CAN | CAO | H16 | 120.3° | 120.0° |
CAM | CAN | CAO | H17 | 120.2° | 120.0° |
CAM | CAN | CAO | CAP | 179.4° | 180.0° |
CAN | CAM | CAL | H14 | 120.3° | 120.0° |
CAN | CAM | CAL | H15 | 120.3° | 120.0° |
CAN | CAM | CAL | CAA | 130.2° | 180.0° |
CAN | CAM | CAL | H12 | 10.0° | 60.0° |
CAN | CAM | CAL | H13 | 109.5° | 60.0° |
CAN | CAM | H14 | H15 | 119.2° | 120.0° |
CAM | CAN | H16 | H17 | 119.3° | 120.0° |
CAM | CAN | CAO | H18 | 60.4° | 60.0° |
CAM | CAN | CAO | H19 | 59.2° | 60.0° |
CAN | CAO | CAP | H18 | 120.2° | 120.0° |
CAN | CAO | CAP | H19 | 120.2° | 120.0° |
CAN | CAO | CAP | OAR | 178.4° | 180.0° |
CAO | CAN | CAM | CAL | 106.3° | 180.0° |
CAO | CAN | CAM | H14 | 13.9° | 60.0° |
CAO | CAN | CAM | H15 | 133.4° | 59.9° |
CAO | CAN | H16 | H17 | 119.3° | 120.0° |
CAN | CAO | H18 | H19 | 119.4° | 120.0° |
CAN | CAO | CAP | H20 | 58.6° | 60.0° |
CAN | CAO | CAP | H21 | 61.7° | 60.0° |
CAO | CAP | OAR | H20 | 119.8° | 120.0° |
CAO | CAP | OAR | H21 | 119.8° | 120.0° |
CAO | CAP | OAR | CAU | 169.6° | 180.0° |
CAP | CAO | CAN | H16 | 59.2° | 60.0° |
CAP | CAO | CAN | H17 | 60.4° | 60.0° |
CAP | CAO | H18 | H19 | 119.3° | 119.9° |
CAO | CAP | H20 | H21 | 120.5° | 119.9° |
OAR | CAP | CAO | H18 | 61.3° | 60.0° |
OAR | CAP | CAO | H19 | 58.2° | 60.0° |
OAR | CAP | H20 | H21 | 120.6° | 120.0° |
OAR | CAU | CAH | H8 | 0.1° | 0.0° |
OAR | CAU | CAK | H11 | 0.2° | 0.6° |
CAU | OAR | CAP | H20 | 70.5° | 60.0° |
CAU | OAR | CAP | H21 | 49.8° | 60.0° |
CAJ | CAI | CAV | H9 | 180.0° | 179.7° |
CAJ | CAI | CAV | OAE | 180.0° | 179.7° |
CAM | CAL | CAA | H12 | 120.2° | 119.9° |
CAM | CAL | CAA | H13 | 120.2° | 120.0° |
CAM | CAL | CAA | H1 | 180.0° | 60.0° |
CAM | CAL | CAA | H2 | 60.0° | 180.0° |
CAM | CAL | CAA | H3 | 60.0° | 60.0° |
CAM | CAL | H12 | H13 | 119.3° | 120.0° |
CAL | CAM | H14 | H15 | 119.1° | 120.0° |
CAL | CAM | CAN | H16 | 13.9° | 60.0° |
CAL | CAM | CAN | H17 | 133.4° | 59.9° |
CAL | CAA | H1 | H2 | 120.0° | 120.0° |
CAL | CAA | H1 | H3 | 120.0° | 120.0° |
CAL | CAA | H2 | H3 | 120.0° | 120.0° |
CAA | CAL | H12 | H13 | 119.4° | 120.0° |
CAA | CAL | CAM | H14 | 109.5° | 60.0° |
CAA | CAL | CAM | H15 | 9.9° | 59.9° |
CAI | CAV | OAE | H5 | 0.1° | 0.1° |
CAV | CAI | CAJ | H10 | 179.9° | 179.7° |
OAE | CAV | CAI | H9 | 0.0° | 0.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | CAL | H12 | 59.8° | 180.0° |
H1 | CAA | CAL | H13 | 59.8° | 60.0° |
H2 | CAA | CAL | H12 | 179.8° | 60.0° |
H2 | CAA | CAL | H13 | 60.2° | 60.0° |
H3 | CAA | CAL | H12 | 60.2° | 60.0° |
H3 | CAA | CAL | H13 | 179.8° | 180.0° |
H6 | CAF | CAG | H7 | 0.3° | 0.3° |
H6 | CAF | CAH | H8 | 0.0° | 0.1° |
H9 | CAI | CAJ | H10 | 0.1° | 0.1° |
H12 | CAL | CAM | H14 | 130.3° | 180.0° |
H12 | CAL | CAM | H15 | 110.3° | 60.0° |
H13 | CAL | CAM | H14 | 10.7° | 60.0° |
H13 | CAL | CAM | H15 | 130.2° | 179.9° |
H14 | CAM | CAN | H16 | 134.2° | 180.0° |
H14 | CAM | CAN | H17 | 106.3° | 60.1° |
H15 | CAM | CAN | H16 | 106.4° | 60.1° |
H15 | CAM | CAN | H17 | 13.2° | 180.0° |
H16 | CAN | CAO | H18 | 179.4° | 180.0° |
H16 | CAN | CAO | H19 | 61.1° | 60.0° |
H17 | CAN | CAO | H18 | 59.9° | 60.0° |
H17 | CAN | CAO | H19 | 179.4° | 179.9° |
H18 | CAO | CAP | H20 | 178.8° | 180.0° |
H18 | CAO | CAP | H21 | 58.5° | 60.0° |
H19 | CAO | CAP | H20 | 61.6° | 60.0° |
H19 | CAO | CAP | H21 | 178.1° | 180.0° |