43Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAD | CAN | sing | 1.35Å | 1.44Å | |
CAN | CAG | doub | 1.38Å | 1.39Å | Aromatic |
CAN | CAP | sing | 1.39Å | 1.37Å | Aromatic |
CL | CAP | sing | 1.74Å | 1.78Å | |
CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
CAP | CAO | doub | 1.38Å | 1.38Å | Aromatic |
CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
CAO | CAH | sing | 1.38Å | 1.40Å | Aromatic |
CAO | CAI | sing | 1.51Å | 1.41Å | |
CAI | NAL | sing | 1.47Å | 1.48Å | |
NAL | CAM | sing | 1.35Å | 1.37Å | |
CAM | OAA | doub | 1.21Å | 1.23Å | |
CAM | CAS | sing | 1.51Å | 1.50Å | |
CAK | CAS | sing | 1.55Å | 1.58Å | |
CAK | CAR | sing | 1.55Å | 1.51Å | |
OAC | CAR | sing | 1.43Å | 1.41Å | |
CAS | CAJ | sing | 1.54Å | 1.49Å | |
CAR | CAQ | sing | 1.54Å | 1.55Å | |
CAJ | CAQ | sing | 1.54Å | 1.54Å | |
OAB | CAQ | sing | 1.43Å | 1.38Å | |
CAG | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
CAH | H3 | sing | 1.08Å | 1.08Å | |
CAI | H4 | sing | 1.09Å | 1.10Å | |
CAI | H5 | sing | 1.09Å | 1.10Å | |
NAL | H6 | sing | 0.97Å | 1.00Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAJ | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAQ | H10 | sing | 1.09Å | 1.10Å | |
OAB | H11 | sing | 0.97Å | 0.95Å | |
CAR | H12 | sing | 1.09Å | 1.10Å | |
OAC | H13 | sing | 0.97Å | 0.95Å | |
CAK | H14 | sing | 1.09Å | 1.10Å | |
CAK | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAD | CAN | CAG | 122.9° | 120.0° |
FAD | CAN | CAP | 115.4° | 120.1° |
CAG | CAN | CAP | 121.6° | 119.9° |
CAN | CAG | CAF | 116.7° | 120.0° |
CAN | CAG | H1 | 121.6° | 120.0° |
CAN | CAP | CL | 119.9° | 120.0° |
CAN | CAP | CAO | 122.8° | 120.0° |
CL | CAP | CAO | 117.4° | 120.0° |
CAG | CAF | CAH | 122.0° | 120.0° |
CAF | CAG | H1 | 121.7° | 120.0° |
CAG | CAF | H2 | 119.0° | 120.0° |
CAP | CAO | CAH | 117.1° | 120.0° |
CAP | CAO | CAI | 113.3° | 120.0° |
CAF | CAH | CAO | 119.8° | 120.1° |
CAH | CAF | H2 | 119.0° | 120.0° |
CAF | CAH | H3 | 120.1° | 119.9° |
CAH | CAO | CAI | 129.5° | 120.0° |
CAO | CAH | H3 | 120.1° | 120.0° |
CAO | CAI | NAL | 119.3° | 109.5° |
CAO | CAI | H4 | 107.0° | 109.5° |
CAO | CAI | H5 | 107.0° | 109.5° |
CAI | NAL | CAM | 116.4° | 120.0° |
NAL | CAI | H4 | 107.0° | 109.4° |
NAL | CAI | H5 | 107.0° | 109.5° |
CAI | NAL | H6 | 121.8° | 120.0° |
NAL | CAM | OAA | 123.1° | 120.0° |
NAL | CAM | CAS | 120.8° | 120.0° |
CAM | NAL | H6 | 121.8° | 120.0° |
OAA | CAM | CAS | 116.0° | 120.0° |
CAM | CAS | CAK | 114.1° | 110.5° |
CAM | CAS | CAJ | 104.1° | 110.5° |
CAM | CAS | H7 | 111.1° | 110.4° |
CAS | CAK | CAR | 100.0° | 102.8° |
CAK | CAS | CAJ | 106.1° | 104.2° |
CAK | CAS | H7 | 109.9° | 110.6° |
CAS | CAK | H14 | 111.8° | 110.7° |
CAS | CAK | H15 | 111.8° | 110.8° |
CAK | CAR | OAC | 102.1° | 110.6° |
CAK | CAR | CAQ | 107.6° | 104.2° |
CAK | CAR | H12 | 110.9° | 110.5° |
CAR | CAK | H14 | 111.7° | 110.7° |
CAR | CAK | H15 | 111.8° | 110.8° |
OAC | CAR | CAQ | 112.8° | 110.5° |
OAC | CAR | H12 | 112.6° | 110.4° |
CAR | OAC | H13 | 109.5° | 114.0° |
CAS | CAJ | CAQ | 102.3° | 106.6° |
CAJ | CAS | H7 | 111.2° | 110.6° |
CAS | CAJ | H8 | 111.2° | 110.1° |
CAS | CAJ | H9 | 111.2° | 110.0° |
CAR | CAQ | CAJ | 107.0° | 106.6° |
CAR | CAQ | OAB | 114.7° | 110.1° |
CAR | CAQ | H10 | 110.0° | 110.1° |
CAQ | CAR | H12 | 110.5° | 110.5° |
CAJ | CAQ | OAB | 102.0° | 110.0° |
CAQ | CAJ | H8 | 111.2° | 110.0° |
CAQ | CAJ | H9 | 111.2° | 110.0° |
CAJ | CAQ | H10 | 110.1° | 110.0° |
OAB | CAQ | H10 | 112.5° | 110.0° |
CAQ | OAB | H11 | 109.5° | 114.0° |
H4 | CAI | H5 | 109.5° | 109.4° |
H8 | CAJ | H9 | 109.5° | 110.0° |
H14 | CAK | H15 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAD | CAN | CAG | CAP | 178.6° | 180.0° |
FAD | CAN | CAP | CL | 0.4° | 0.0° |
FAD | CAN | CAG | CAF | 178.2° | 180.0° |
FAD | CAN | CAP | CAO | 179.3° | 179.7° |
FAD | CAN | CAG | H1 | 1.8° | 0.0° |
CAG | CAN | CAP | CL | 178.3° | 180.0° |
CAN | CAG | CAF | H1 | 180.0° | 179.9° |
CAG | CAN | CAP | CAO | 2.0° | 0.4° |
CAN | CAG | CAF | CAH | 2.4° | 0.0° |
CAN | CAG | CAF | H2 | 177.6° | 180.0° |
CAN | CAP | CL | CAO | 179.7° | 179.7° |
CAP | CAN | CAG | CAF | 0.5° | 0.1° |
CAN | CAP | CAO | CAH | 2.4° | 0.6° |
CAN | CAP | CAO | CAI | 178.0° | 179.7° |
CAP | CAN | CAG | H1 | 179.5° | 180.0° |
CL | CAP | CAO | CAH | 177.9° | 179.7° |
CL | CAP | CAO | CAI | 1.7° | 0.0° |
CAG | CAF | CAH | H2 | 180.0° | 180.0° |
CAG | CAF | CAH | CAO | 1.9° | 0.3° |
CAG | CAF | CAH | H3 | 178.1° | 179.9° |
CAP | CAO | CAH | CAF | 0.5° | 0.6° |
CAP | CAO | CAH | CAI | 179.5° | 179.7° |
CAP | CAO | CAI | NAL | 172.2° | 80.0° |
CAP | CAO | CAH | H3 | 179.5° | 179.6° |
CAP | CAO | CAI | H4 | 66.4° | 160.0° |
CAP | CAO | CAI | H5 | 50.8° | 40.0° |
CAF | CAH | CAO | H3 | 180.0° | 179.8° |
CAF | CAH | CAO | CAI | 180.0° | 179.7° |
CAH | CAF | CAG | H1 | 177.6° | 180.0° |
CAH | CAO | CAI | NAL | 8.3° | 99.7° |
CAO | CAH | CAF | H2 | 178.1° | 179.7° |
CAH | CAO | CAI | H4 | 113.0° | 20.3° |
CAH | CAO | CAI | H5 | 129.7° | 140.3° |
CAO | CAI | NAL | H4 | 121.4° | 120.0° |
CAO | CAI | NAL | H5 | 121.4° | 120.0° |
CAO | CAI | NAL | CAM | 102.4° | 180.0° |
CAI | CAO | CAH | H3 | 0.0° | 0.1° |
CAO | CAI | H4 | H5 | 115.6° | 120.0° |
CAO | CAI | NAL | H6 | 77.6° | 0.0° |
CAI | NAL | CAM | H6 | 180.0° | 179.9° |
CAI | NAL | CAM | OAA | 4.1° | 0.0° |
CAI | NAL | CAM | CAS | 178.8° | 180.0° |
NAL | CAI | H4 | H5 | 115.5° | 120.0° |
NAL | CAM | OAA | CAS | 174.9° | 180.0° |
NAL | CAM | CAS | CAK | 5.9° | 65.2° |
NAL | CAM | CAS | CAJ | 109.3° | 180.0° |
CAM | NAL | CAI | H4 | 19.0° | 60.0° |
CAM | NAL | CAI | H5 | 136.2° | 60.0° |
NAL | CAM | CAS | H7 | 130.9° | 57.4° |
OAA | CAM | CAS | CAK | 179.1° | 114.8° |
OAA | CAM | CAS | CAJ | 65.7° | 0.0° |
OAA | CAM | NAL | H6 | 175.9° | 179.9° |
OAA | CAM | CAS | H7 | 54.0° | 122.6° |
CAM | CAS | CAK | CAJ | 114.1° | 118.7° |
CAM | CAS | CAK | H7 | 125.7° | 122.5° |
CAM | CAS | CAK | CAR | 155.3° | 156.6° |
CAM | CAS | CAJ | H7 | 119.8° | 122.5° |
CAM | CAS | CAJ | CAQ | 159.0° | 142.3° |
CAS | CAM | NAL | H6 | 1.2° | 0.0° |
CAM | CAS | CAJ | H8 | 40.2° | 23.0° |
CAM | CAS | CAJ | H9 | 82.2° | 98.5° |
CAM | CAS | CAK | H14 | 86.2° | 85.1° |
CAM | CAS | CAK | H15 | 36.9° | 38.3° |
CAS | CAK | CAR | H14 | 118.5° | 118.3° |
CAS | CAK | CAR | H15 | 118.4° | 118.4° |
CAS | CAK | CAR | OAC | 146.0° | 156.7° |
CAK | CAS | CAJ | H7 | 119.5° | 118.8° |
CAS | CAK | CAR | CAQ | 27.1° | 38.0° |
CAK | CAS | CAJ | CAQ | 38.3° | 23.6° |
CAK | CAS | CAJ | H8 | 80.6° | 95.7° |
CAK | CAS | CAJ | H9 | 157.1° | 142.9° |
CAS | CAK | CAR | H12 | 93.8° | 80.7° |
CAS | CAK | H14 | H15 | 124.4° | 123.4° |
CAK | CAR | OAC | CAQ | 115.2° | 114.8° |
CAK | CAR | OAC | H12 | 119.0° | 122.7° |
CAR | CAK | CAS | CAJ | 41.3° | 38.0° |
CAK | CAR | CAQ | H12 | 121.2° | 118.7° |
CAK | CAR | CAQ | CAJ | 5.2° | 23.6° |
CAK | CAR | CAQ | OAB | 107.0° | 95.7° |
CAR | CAK | CAS | H7 | 79.0° | 80.8° |
CAK | CAR | CAQ | H10 | 124.9° | 142.9° |
CAK | CAR | OAC | H13 | 180.0° | 176.3° |
CAR | CAK | H14 | H15 | 124.4° | 123.3° |
OAC | CAR | CAQ | H12 | 127.0° | 122.5° |
OAC | CAR | CAQ | CAJ | 117.1° | 142.4° |
OAC | CAR | CAQ | OAB | 4.8° | 23.1° |
OAC | CAR | CAQ | H10 | 123.3° | 98.3° |
OAC | CAR | CAK | H14 | 95.6° | 85.1° |
OAC | CAR | CAK | H15 | 27.5° | 38.3° |
CAS | CAJ | CAQ | CAR | 20.5° | 0.0° |
CAS | CAJ | CAQ | H8 | 118.8° | 119.3° |
CAS | CAJ | CAQ | H9 | 118.8° | 119.3° |
CAS | CAJ | CAQ | OAB | 141.3° | 119.4° |
CAS | CAJ | H8 | H9 | 123.4° | 121.4° |
CAS | CAJ | CAQ | H10 | 99.1° | 119.3° |
CAJ | CAS | CAK | H14 | 159.7° | 156.3° |
CAJ | CAS | CAK | H15 | 77.2° | 80.3° |
CAR | CAQ | CAJ | OAB | 120.8° | 119.4° |
CAR | CAQ | CAJ | H10 | 119.6° | 119.3° |
CAR | CAQ | OAB | H10 | 126.8° | 121.4° |
CAR | CAQ | CAJ | H8 | 98.4° | 119.3° |
CAR | CAQ | CAJ | H9 | 139.3° | 119.3° |
CAR | CAQ | OAB | H11 | 180.0° | 62.8° |
CAQ | CAR | OAC | H13 | 64.8° | 61.5° |
CAQ | CAR | CAK | H14 | 145.5° | 156.3° |
CAQ | CAR | CAK | H15 | 91.4° | 80.4° |
CAJ | CAQ | OAB | H10 | 117.9° | 121.3° |
CAQ | CAJ | CAS | H7 | 81.2° | 95.2° |
CAQ | CAJ | H8 | H9 | 123.3° | 121.4° |
CAJ | CAQ | OAB | H11 | 64.7° | 180.0° |
CAJ | CAQ | CAR | H12 | 116.0° | 95.1° |
OAB | CAQ | CAJ | H8 | 22.4° | 0.0° |
OAB | CAQ | CAJ | H9 | 99.9° | 121.3° |
OAB | CAQ | CAR | H12 | 131.7° | 145.6° |
H1 | CAG | CAF | H2 | 2.4° | 0.0° |
H2 | CAF | CAH | H3 | 1.9° | 0.1° |
H4 | CAI | NAL | H6 | 161.0° | 120.1° |
H5 | CAI | NAL | H6 | 43.8° | 120.0° |
H7 | CAS | CAJ | H8 | 160.0° | 145.5° |
H7 | CAS | CAJ | H9 | 37.6° | 24.1° |
H7 | CAS | CAK | H14 | 39.4° | 37.5° |
H7 | CAS | CAK | H15 | 162.6° | 160.9° |
H8 | CAJ | CAQ | H10 | 142.0° | 121.4° |
H9 | CAJ | CAQ | H10 | 19.7° | 0.0° |
H10 | CAQ | OAB | H11 | 53.2° | 58.6° |
H10 | CAQ | CAR | H12 | 3.7° | 24.2° |
H12 | CAR | OAC | H13 | 61.0° | 61.0° |
H12 | CAR | CAK | H14 | 24.6° | 37.6° |
H12 | CAR | CAK | H15 | 147.7° | 160.9° |