1M1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAU | CAT | doub | 1.39Å | 1.38Å | Aromatic |
CAU | CAV | sing | 1.38Å | 1.34Å | Aromatic |
CAT | CAS | sing | 1.39Å | 1.34Å | Aromatic |
CAS | CAR | doub | 1.38Å | 1.35Å | Aromatic |
CAV | NAW | doub | 1.32Å | 1.40Å | Aromatic |
CAR | NAW | sing | 1.32Å | 1.36Å | Aromatic |
CAR | CAQ | sing | 1.51Å | 1.52Å | |
CAQ | NAP | sing | 1.47Å | 1.48Å | |
CAQ | NAE | sing | 1.47Å | 1.49Å | |
NAP | CAO | sing | 1.39Å | 1.44Å | |
CAI | CAH | doub | 1.38Å | 1.38Å | Aromatic |
CAI | CAD | sing | 1.39Å | 1.44Å | Aromatic |
CAH | CAG | sing | 1.38Å | 1.41Å | Aromatic |
NAE | CAD | sing | 1.36Å | 1.38Å | Aromatic |
NAE | CAA | sing | 1.39Å | 1.38Å | Aromatic |
CAD | CAC | doub | 1.42Å | 1.33Å | Aromatic |
CAO | CAN | doub | 1.39Å | 1.40Å | Aromatic |
CAO | CAJ | sing | 1.41Å | 1.39Å | Aromatic |
CAN | CAM | sing | 1.38Å | 1.37Å | Aromatic |
CAG | CAF | doub | 1.37Å | 1.43Å | Aromatic |
CAA | CAJ | sing | 1.48Å | 1.42Å | |
CAA | NAB | doub | 1.30Å | 1.33Å | Aromatic |
CAJ | CAK | doub | 1.39Å | 1.42Å | Aromatic |
CAC | CAF | sing | 1.40Å | 1.40Å | Aromatic |
CAC | NAB | sing | 1.35Å | 1.38Å | Aromatic |
CAM | CAL | doub | 1.38Å | 1.42Å | Aromatic |
CAK | CAL | sing | 1.38Å | 1.41Å | Aromatic |
CAS | H1 | sing | 1.08Å | 1.08Å | |
CAT | H2 | sing | 1.08Å | 1.08Å | |
CAU | H3 | sing | 1.08Å | 1.08Å | |
CAV | H4 | sing | 1.08Å | 1.08Å | |
CAQ | H5 | sing | 1.09Å | 1.10Å | |
CAI | H6 | sing | 1.08Å | 1.08Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
CAK | H10 | sing | 1.08Å | 1.08Å | |
CAL | H11 | sing | 1.08Å | 1.08Å | |
CAM | H12 | sing | 1.08Å | 1.08Å | |
CAN | H13 | sing | 1.08Å | 1.08Å | |
NAP | H14 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAT | CAU | CAV | 118.3° | 119.1° |
CAU | CAT | CAS | 126.2° | 118.4° |
CAU | CAT | H2 | 116.9° | 120.8° |
CAT | CAU | H3 | 120.8° | 120.4° |
CAU | CAV | NAW | 117.7° | 120.8° |
CAV | CAU | H3 | 120.9° | 120.5° |
CAU | CAV | H4 | 121.2° | 119.6° |
CAT | CAS | CAR | 114.6° | 119.2° |
CAT | CAS | H1 | 122.7° | 120.5° |
CAS | CAT | H2 | 116.9° | 120.8° |
CAS | CAR | NAW | 122.2° | 120.7° |
CAS | CAR | CAQ | 113.3° | 119.6° |
CAR | CAS | H1 | 122.7° | 120.4° |
CAV | NAW | CAR | 120.9° | 121.8° |
NAW | CAV | H4 | 121.2° | 119.6° |
NAW | CAR | CAQ | 124.5° | 119.7° |
CAR | CAQ | NAP | 114.2° | 109.5° |
CAR | CAQ | NAE | 109.8° | 109.5° |
CAR | CAQ | H5 | 107.9° | 109.5° |
NAP | CAQ | NAE | 108.1° | 109.2° |
CAQ | NAP | CAO | 120.3° | 121.0° |
NAP | CAQ | H5 | 108.4° | 109.5° |
CAQ | NAP | H14 | 106.7° | 119.4° |
CAQ | NAE | CAD | 128.3° | 130.6° |
CAQ | NAE | CAA | 123.6° | 122.3° |
NAE | CAQ | H5 | 108.3° | 109.6° |
NAP | CAO | CAN | 117.6° | 121.4° |
NAP | CAO | CAJ | 121.6° | 119.3° |
CAO | NAP | H14 | 106.7° | 119.6° |
CAH | CAI | CAD | 116.6° | 117.0° |
CAI | CAH | CAG | 121.0° | 122.1° |
CAH | CAI | H6 | 121.7° | 121.5° |
CAI | CAH | H7 | 119.5° | 119.0° |
CAI | CAD | NAE | 130.0° | 133.0° |
CAI | CAD | CAC | 122.9° | 120.8° |
CAD | CAI | H6 | 121.7° | 121.4° |
CAH | CAG | CAF | 120.6° | 122.1° |
CAG | CAH | H7 | 119.5° | 118.9° |
CAH | CAG | H8 | 119.7° | 118.9° |
CAD | NAE | CAA | 106.9° | 107.1° |
NAE | CAD | CAC | 107.0° | 106.2° |
NAE | CAA | CAJ | 119.9° | 120.2° |
NAE | CAA | NAB | 108.9° | 109.9° |
CAD | CAC | CAF | 121.7° | 120.8° |
CAD | CAC | NAB | 110.1° | 107.5° |
CAN | CAO | CAJ | 120.7° | 119.2° |
CAO | CAN | CAM | 120.5° | 119.8° |
CAO | CAN | H13 | 119.8° | 120.0° |
CAO | CAJ | CAA | 118.0° | 116.7° |
CAO | CAJ | CAK | 121.6° | 120.4° |
CAN | CAM | CAL | 117.8° | 120.8° |
CAN | CAM | H12 | 121.1° | 119.6° |
CAM | CAN | H13 | 119.8° | 120.1° |
CAG | CAF | CAC | 116.8° | 117.1° |
CAF | CAG | H8 | 119.7° | 118.9° |
CAG | CAF | H9 | 121.6° | 121.5° |
CAJ | CAA | NAB | 130.2° | 129.9° |
CAA | CAJ | CAK | 119.7° | 122.9° |
CAA | NAB | CAC | 106.5° | 109.4° |
CAJ | CAK | CAL | 115.0° | 119.5° |
CAJ | CAK | H10 | 122.5° | 120.3° |
CAF | CAC | NAB | 127.8° | 131.7° |
CAC | CAF | H9 | 121.6° | 121.4° |
CAM | CAL | CAK | 124.1° | 120.2° |
CAM | CAL | H11 | 118.0° | 119.9° |
CAL | CAM | H12 | 121.1° | 119.6° |
CAL | CAK | H10 | 122.5° | 120.2° |
CAK | CAL | H11 | 117.9° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAT | CAU | CAV | H3 | 180.0° | 179.9° |
CAU | CAT | CAS | H2 | 180.0° | 179.9° |
CAU | CAT | CAS | CAR | 3.5° | 0.0° |
CAT | CAU | CAV | NAW | 0.6° | 0.0° |
CAU | CAT | CAS | H1 | 176.5° | 179.7° |
CAT | CAU | CAV | H4 | 179.4° | 180.0° |
CAV | CAU | CAT | CAS | 2.6° | 0.0° |
CAU | CAV | NAW | H4 | 180.0° | 180.0° |
CAU | CAV | NAW | CAR | 2.6° | 0.0° |
CAV | CAU | CAT | H2 | 177.4° | 180.0° |
CAT | CAS | CAR | H1 | 180.0° | 179.7° |
CAT | CAS | CAR | NAW | 1.3° | 0.0° |
CAT | CAS | CAR | CAQ | 176.5° | 179.7° |
CAS | CAT | CAU | H3 | 177.4° | 179.9° |
CAS | CAR | NAW | CAV | 1.6° | 0.0° |
CAS | CAR | NAW | CAQ | 177.6° | 179.7° |
CAS | CAR | CAQ | NAP | 159.9° | 115.0° |
CAS | CAR | CAQ | NAE | 78.5° | 125.3° |
CAR | CAS | CAT | H2 | 176.5° | 180.0° |
CAS | CAR | CAQ | H5 | 39.3° | 5.1° |
CAV | NAW | CAR | CAQ | 179.2° | 179.7° |
NAW | CAV | CAU | H3 | 179.4° | 179.9° |
NAW | CAR | CAQ | NAP | 22.3° | 64.7° |
NAW | CAR | CAQ | NAE | 99.2° | 55.0° |
NAW | CAR | CAS | H1 | 178.7° | 179.7° |
CAR | NAW | CAV | H4 | 177.4° | 180.0° |
NAW | CAR | CAQ | H5 | 142.9° | 175.2° |
CAR | CAQ | NAP | NAE | 122.5° | 119.9° |
CAR | CAQ | NAP | H5 | 120.3° | 120.1° |
CAR | CAQ | NAE | H5 | 117.7° | 120.1° |
CAR | CAQ | NAP | CAO | 92.7° | 79.9° |
CAR | CAQ | NAE | CAD | 72.5° | 85.0° |
CAR | CAQ | NAE | CAA | 93.0° | 94.3° |
CAQ | CAR | CAS | H1 | 3.5° | 0.0° |
CAR | CAQ | NAP | H14 | 28.8° | 100.1° |
NAP | CAQ | NAE | H5 | 117.2° | 120.0° |
CAQ | NAP | CAO | H14 | 121.5° | 180.0° |
NAP | CAQ | NAE | CAD | 162.4° | 155.1° |
NAP | CAQ | NAE | CAA | 32.1° | 25.6° |
CAQ | NAP | CAO | CAN | 163.2° | 151.4° |
CAQ | NAP | CAO | CAJ | 12.8° | 30.2° |
NAE | CAQ | NAP | CAO | 29.8° | 40.0° |
CAQ | NAE | CAD | CAI | 8.8° | 1.4° |
CAQ | NAE | CAD | CAA | 167.4° | 179.4° |
CAQ | NAE | CAD | CAC | 169.0° | 178.5° |
CAQ | NAE | CAA | CAJ | 15.7° | 2.3° |
CAQ | NAE | CAA | NAB | 174.3° | 178.4° |
NAE | CAQ | NAP | H14 | 151.3° | 140.0° |
NAP | CAO | CAN | CAJ | 176.0° | 178.3° |
NAP | CAO | CAN | CAM | 179.8° | 177.1° |
NAP | CAO | CAJ | CAA | 7.1° | 3.0° |
NAP | CAO | CAJ | CAK | 176.8° | 176.3° |
CAO | NAP | CAQ | H5 | 146.9° | 160.0° |
NAP | CAO | CAN | H13 | 0.2° | 2.8° |
CAH | CAI | CAD | H6 | 180.0° | 180.0° |
CAI | CAH | CAG | H7 | 180.0° | 180.0° |
CAH | CAI | CAD | NAE | 178.6° | 179.7° |
CAH | CAI | CAD | CAC | 1.2° | 0.1° |
CAI | CAH | CAG | CAF | 3.5° | 0.1° |
CAI | CAH | CAG | H8 | 176.5° | 179.9° |
CAD | CAI | CAH | CAG | 3.1° | 0.0° |
CAI | CAD | NAE | CAC | 177.8° | 179.9° |
CAI | CAD | NAE | CAA | 176.2° | 179.2° |
CAI | CAD | CAC | CAF | 5.1° | 0.2° |
CAI | CAD | CAC | NAB | 178.7° | 179.6° |
CAD | CAI | CAH | H7 | 176.9° | 180.0° |
CAH | CAG | CAF | H8 | 180.0° | 180.0° |
CAH | CAG | CAF | CAC | 0.3° | 0.0° |
CAG | CAH | CAI | H6 | 176.9° | 180.0° |
CAH | CAG | CAF | H9 | 179.6° | 180.0° |
CAD | NAE | CAA | CAJ | 176.1° | 178.2° |
CAD | NAE | CAA | NAB | 6.1° | 1.1° |
NAE | CAD | CAC | CAF | 176.9° | 179.7° |
NAE | CAD | CAC | NAB | 3.4° | 0.5° |
CAD | NAE | CAQ | H5 | 45.2° | 35.1° |
NAE | CAD | CAI | H6 | 1.4° | 0.3° |
CAA | NAE | CAD | CAC | 1.6° | 0.9° |
NAE | CAA | CAJ | CAO | 5.9° | 10.6° |
NAE | CAA | CAJ | NAB | 167.6° | 179.1° |
NAE | CAA | CAJ | CAK | 175.9° | 170.2° |
NAE | CAA | NAB | CAC | 8.1° | 0.8° |
CAA | NAE | CAQ | H5 | 149.3° | 145.6° |
CAD | CAC | CAF | CAG | 4.6° | 0.2° |
CAD | CAC | NAB | CAA | 7.2° | 0.2° |
CAD | CAC | CAF | NAB | 172.3° | 179.8° |
CAC | CAD | CAI | H6 | 178.9° | 179.8° |
CAD | CAC | CAF | H9 | 175.4° | 179.9° |
CAO | CAN | CAM | H13 | 180.0° | 180.0° |
CAN | CAO | CAJ | CAA | 177.0° | 178.7° |
CAN | CAO | CAJ | CAK | 7.3° | 2.1° |
CAO | CAN | CAM | CAL | 1.2° | 0.1° |
CAO | CAN | CAM | H12 | 178.7° | 179.9° |
CAN | CAO | NAP | H14 | 41.7° | 28.6° |
CAJ | CAO | CAN | CAM | 3.8° | 1.2° |
CAO | CAJ | CAA | CAK | 169.9° | 179.2° |
CAO | CAJ | CAA | NAB | 161.6° | 168.5° |
CAO | CAJ | CAK | CAL | 5.4° | 1.6° |
CAO | CAJ | CAK | H10 | 174.6° | 178.3° |
CAJ | CAO | CAN | H13 | 176.2° | 178.8° |
CAJ | CAO | NAP | H14 | 134.3° | 149.8° |
CAN | CAM | CAL | H12 | 180.0° | 180.0° |
CAN | CAM | CAL | CAK | 3.0° | 0.6° |
CAN | CAM | CAL | H11 | 176.9° | 179.3° |
CAG | CAF | CAC | H9 | 180.0° | 179.9° |
CAG | CAF | CAC | NAB | 176.9° | 179.7° |
CAF | CAG | CAH | H7 | 176.5° | 179.9° |
CAJ | CAA | NAB | CAC | 176.7° | 178.4° |
CAA | CAJ | CAK | CAL | 174.9° | 179.2° |
CAA | CAJ | CAK | H10 | 5.0° | 0.9° |
NAB | CAA | CAJ | CAK | 8.3° | 10.7° |
CAA | NAB | CAC | CAF | 179.8° | 179.7° |
CAJ | CAK | CAL | CAM | 0.2° | 0.3° |
CAJ | CAK | CAL | H10 | 180.0° | 179.9° |
CAJ | CAK | CAL | H11 | 179.8° | 179.8° |
CAC | CAF | CAG | H8 | 179.7° | 180.0° |
NAB | CAC | CAF | H9 | 3.1° | 0.3° |
CAM | CAL | CAK | H11 | 180.0° | 179.9° |
CAM | CAL | CAK | H10 | 179.8° | 179.7° |
CAL | CAM | CAN | H13 | 178.7° | 179.8° |
CAK | CAL | CAM | H12 | 177.0° | 179.4° |
H1 | CAS | CAT | H2 | 3.5° | 0.3° |
H2 | CAT | CAU | H3 | 2.6° | 0.0° |
H3 | CAU | CAV | H4 | 0.6° | 0.0° |
H5 | CAQ | NAP | H14 | 91.5° | 20.0° |
H6 | CAI | CAH | H7 | 3.1° | 0.0° |
H7 | CAH | CAG | H8 | 3.5° | 0.0° |
H8 | CAG | CAF | H9 | 0.4° | 0.0° |
H10 | CAK | CAL | H11 | 0.2° | 0.3° |
H11 | CAL | CAM | H12 | 3.1° | 0.7° |
H12 | CAM | CAN | H13 | 1.3° | 0.2° |