L6P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAJ | CAI | sing | 1.53Å | 1.52Å | |
CAJ | CAK | sing | 1.53Å | 1.53Å | |
OAW | CAV | doub | 1.21Å | 1.25Å | |
CAI | CAK | sing | 1.53Å | 1.52Å | |
CAI | CAA | sing | 1.51Å | 1.40Å | |
CAF | CAA | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
CAL | CAE | sing | 1.51Å | 1.40Å | |
CAL | CAM | sing | 1.51Å | 1.55Å | |
CAA | CAB | sing | 1.40Å | 1.39Å | Aromatic |
CAV | OAX | sing | 1.34Å | 1.25Å | |
CAV | CAO | sing | 1.51Å | 1.54Å | |
CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAM | NAN | sing | 1.35Å | 1.35Å | |
CAM | OAP | doub | 1.21Å | 1.23Å | |
NAN | CAO | sing | 1.47Å | 1.48Å | |
CAT | CAO | sing | 1.53Å | 1.54Å | |
CAT | CAU | sing | 1.53Å | 1.52Å | |
CAO | CAS | sing | 1.53Å | 1.54Å | |
CAB | CAG | sing | 1.43Å | 1.44Å | |
CAB | CAC | doub | 1.40Å | 1.39Å | Aromatic |
CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
CAU | CAQ | sing | 1.53Å | 1.52Å | |
CAG | NAH | trip | 1.14Å | 1.16Å | |
CAS | CAR | sing | 1.53Å | 1.51Å | |
CAQ | CAR | sing | 1.53Å | 1.53Å | |
CAC | H1 | sing | 1.08Å | 1.08Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAF | H3 | sing | 1.08Å | 1.08Å | |
CAI | H4 | sing | 1.09Å | 1.10Å | |
CAJ | H5 | sing | 1.09Å | 1.10Å | |
CAJ | H6 | sing | 1.09Å | 1.10Å | |
CAK | H7 | sing | 1.09Å | 1.10Å | |
CAK | H8 | sing | 1.09Å | 1.10Å | |
CAL | H9 | sing | 1.09Å | 1.10Å | |
CAL | H10 | sing | 1.09Å | 1.10Å | |
CAQ | H11 | sing | 1.09Å | 1.10Å | |
CAQ | H12 | sing | 1.09Å | 1.10Å | |
CAR | H13 | sing | 1.09Å | 1.10Å | |
CAR | H14 | sing | 1.09Å | 1.10Å | |
CAS | H15 | sing | 1.09Å | 1.10Å | |
CAS | H16 | sing | 1.09Å | 1.10Å | |
CAT | H17 | sing | 1.09Å | 1.10Å | |
CAT | H18 | sing | 1.09Å | 1.10Å | |
CAU | H19 | sing | 1.09Å | 1.10Å | |
CAU | H20 | sing | 1.09Å | 1.10Å | |
NAN | H21 | sing | 0.97Å | 1.00Å | |
OAX | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAI | CAJ | CAK | 59.8° | 60.0° |
CAJ | CAI | CAK | 60.2° | 60.0° |
CAJ | CAI | CAA | 116.3° | 117.5° |
CAJ | CAI | H4 | 115.8° | 117.5° |
CAI | CAJ | H5 | 120.0° | 117.5° |
CAI | CAJ | H6 | 120.0° | 117.5° |
CAJ | CAK | CAI | 60.0° | 60.0° |
CAK | CAJ | H5 | 120.0° | 117.5° |
CAK | CAJ | H6 | 120.0° | 117.5° |
CAJ | CAK | H7 | 120.0° | 117.5° |
CAJ | CAK | H8 | 120.0° | 117.5° |
OAW | CAV | OAX | 125.5° | 120.0° |
OAW | CAV | CAO | 116.8° | 120.0° |
CAK | CAI | CAA | 117.6° | 117.5° |
CAK | CAI | H4 | 115.8° | 117.5° |
CAI | CAK | H7 | 120.0° | 117.5° |
CAI | CAK | H8 | 120.0° | 117.4° |
CAI | CAA | CAF | 121.1° | 120.1° |
CAI | CAA | CAB | 119.1° | 120.1° |
CAA | CAI | H4 | 118.2° | 115.5° |
CAA | CAF | CAE | 120.6° | 120.2° |
CAF | CAA | CAB | 119.8° | 119.8° |
CAA | CAF | H3 | 119.7° | 119.9° |
CAF | CAE | CAL | 120.6° | 119.9° |
CAF | CAE | CAD | 119.0° | 120.3° |
CAE | CAF | H3 | 119.7° | 119.9° |
CAE | CAL | CAM | 113.0° | 109.5° |
CAL | CAE | CAD | 120.4° | 119.8° |
CAE | CAL | H9 | 108.6° | 109.4° |
CAE | CAL | H10 | 108.6° | 109.5° |
CAL | CAM | NAN | 116.2° | 120.0° |
CAL | CAM | OAP | 120.1° | 120.0° |
CAM | CAL | H9 | 108.6° | 109.4° |
CAM | CAL | H10 | 108.6° | 109.5° |
CAA | CAB | CAG | 119.0° | 120.1° |
CAA | CAB | CAC | 119.9° | 119.7° |
OAX | CAV | CAO | 117.7° | 120.0° |
CAV | OAX | H22 | 109.5° | 116.9° |
CAV | CAO | NAN | 108.1° | 109.5° |
CAV | CAO | CAT | 107.7° | 109.4° |
CAV | CAO | CAS | 110.6° | 109.5° |
CAE | CAD | CAC | 120.4° | 120.2° |
CAE | CAD | H2 | 119.8° | 120.0° |
NAN | CAM | OAP | 123.7° | 120.0° |
CAM | NAN | CAO | 124.7° | 120.0° |
CAM | NAN | H21 | 117.6° | 120.0° |
NAN | CAO | CAT | 109.3° | 109.4° |
NAN | CAO | CAS | 111.7° | 109.5° |
CAO | NAN | H21 | 117.7° | 120.0° |
CAO | CAT | CAU | 109.5° | 109.4° |
CAT | CAO | CAS | 109.2° | 109.5° |
CAO | CAT | H17 | 109.5° | 109.4° |
CAO | CAT | H18 | 109.4° | 109.5° |
CAT | CAU | CAQ | 108.7° | 109.5° |
CAU | CAT | H17 | 109.5° | 109.4° |
CAU | CAT | H18 | 109.5° | 109.5° |
CAT | CAU | H19 | 109.7° | 109.5° |
CAT | CAU | H20 | 109.7° | 109.5° |
CAO | CAS | CAR | 108.9° | 109.5° |
CAO | CAS | H15 | 109.6° | 109.4° |
CAO | CAS | H16 | 109.6° | 109.5° |
CAG | CAB | CAC | 121.1° | 120.1° |
CAB | CAG | NAH | 178.7° | 180.0° |
CAB | CAC | CAD | 120.1° | 119.8° |
CAB | CAC | H1 | 119.9° | 120.1° |
CAD | CAC | H1 | 119.9° | 120.1° |
CAC | CAD | H2 | 119.8° | 119.9° |
CAU | CAQ | CAR | 109.7° | 109.5° |
CAU | CAQ | H11 | 109.4° | 109.5° |
CAU | CAQ | H12 | 109.4° | 109.4° |
CAQ | CAU | H19 | 109.7° | 109.4° |
CAQ | CAU | H20 | 109.7° | 109.5° |
CAS | CAR | CAQ | 110.3° | 109.5° |
CAS | CAR | H13 | 109.3° | 109.5° |
CAS | CAR | H14 | 109.3° | 109.5° |
CAR | CAS | H15 | 109.6° | 109.5° |
CAR | CAS | H16 | 109.6° | 109.5° |
CAR | CAQ | H11 | 109.4° | 109.5° |
CAR | CAQ | H12 | 109.4° | 109.5° |
CAQ | CAR | H13 | 109.3° | 109.5° |
CAQ | CAR | H14 | 109.2° | 109.5° |
H5 | CAJ | H6 | 109.4° | 115.6° |
H7 | CAK | H8 | 109.5° | 115.6° |
H9 | CAL | H10 | 109.5° | 109.5° |
H11 | CAQ | H12 | 109.5° | 109.5° |
H13 | CAR | H14 | 109.5° | 109.5° |
H15 | CAS | H16 | 109.5° | 109.5° |
H17 | CAT | H18 | 109.5° | 109.6° |
H19 | CAU | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAI | CAJ | CAK | H5 | 109.4° | 107.4° |
CAI | CAJ | CAK | H6 | 109.4° | 107.5° |
CAJ | CAI | CAK | CAA | 106.1° | 107.5° |
CAJ | CAI | CAK | H4 | 106.2° | 107.5° |
CAJ | CAI | CAA | H4 | 144.7° | 145.7° |
CAJ | CAI | CAA | CAF | 4.2° | 8.3° |
CAJ | CAI | CAA | CAB | 177.4° | 171.4° |
CAI | CAJ | H5 | H6 | 144.8° | 145.7° |
CAI | CAJ | CAK | H7 | 109.5° | 107.5° |
CAI | CAJ | CAK | H8 | 109.5° | 107.4° |
CAK | CAJ | H5 | H6 | 144.8° | 145.7° |
CAJ | CAK | H7 | H8 | 144.7° | 145.7° |
OAW | CAV | OAX | CAO | 179.7° | 180.0° |
OAW | CAV | CAO | NAN | 34.3° | 145.0° |
OAW | CAV | CAO | CAT | 83.7° | 95.0° |
OAW | CAV | CAO | CAS | 157.0° | 25.0° |
OAW | CAV | OAX | H22 | 0.0° | 0.0° |
CAK | CAI | CAA | H4 | 146.9° | 145.6° |
CAK | CAI | CAA | CAF | 72.7° | 60.3° |
CAK | CAI | CAA | CAB | 108.9° | 119.9° |
CAI | CAK | H7 | H8 | 144.8° | 145.7° |
CAI | CAA | CAF | CAB | 178.4° | 179.8° |
CAI | CAA | CAF | CAE | 179.5° | 179.8° |
CAI | CAA | CAB | CAG | 1.1° | 0.2° |
CAI | CAA | CAB | CAC | 179.2° | 179.7° |
CAI | CAA | CAF | H3 | 0.5° | 0.3° |
CAA | CAI | CAJ | H5 | 1.2° | 0.0° |
CAA | CAI | CAJ | H6 | 142.4° | 145.0° |
CAA | CAI | CAK | H7 | 3.4° | 145.0° |
CAA | CAI | CAK | H8 | 144.4° | 0.0° |
CAA | CAF | CAE | H3 | 180.0° | 179.9° |
CAA | CAF | CAE | CAL | 180.0° | 180.0° |
CAA | CAF | CAE | CAD | 1.2° | 0.1° |
CAF | CAA | CAB | CAG | 179.5° | 180.0° |
CAF | CAA | CAB | CAC | 0.8° | 0.0° |
CAF | CAA | CAI | H4 | 140.4° | 154.1° |
CAF | CAE | CAL | CAD | 178.8° | 179.9° |
CAF | CAE | CAL | CAM | 88.1° | 90.0° |
CAE | CAF | CAA | CAB | 1.1° | 0.0° |
CAF | CAE | CAD | CAC | 1.0° | 0.1° |
CAF | CAE | CAD | H2 | 179.0° | 180.0° |
CAF | CAE | CAL | H9 | 151.4° | 30.0° |
CAF | CAE | CAL | H10 | 32.4° | 150.0° |
CAE | CAL | CAM | H9 | 120.5° | 120.0° |
CAE | CAL | CAM | H10 | 120.5° | 120.0° |
CAE | CAL | CAM | NAN | 49.9° | 180.0° |
CAE | CAL | CAM | OAP | 130.3° | 0.0° |
CAL | CAE | CAD | CAC | 179.8° | 180.0° |
CAL | CAE | CAD | H2 | 0.2° | 0.0° |
CAL | CAE | CAF | H3 | 0.1° | 0.1° |
CAE | CAL | H9 | H10 | 118.4° | 120.0° |
CAM | CAL | CAE | CAD | 93.1° | 90.0° |
CAL | CAM | NAN | OAP | 179.8° | 180.0° |
CAL | CAM | NAN | CAO | 176.3° | 180.0° |
CAM | CAL | H9 | H10 | 118.4° | 120.0° |
CAL | CAM | NAN | H21 | 3.7° | 0.0° |
CAA | CAB | CAG | CAC | 179.7° | 180.0° |
CAA | CAB | CAC | CAD | 0.5° | 0.0° |
CAA | CAB | CAG | NAH | 3.7° | 102.7° |
CAA | CAB | CAC | H1 | 179.5° | 180.0° |
CAB | CAA | CAF | H3 | 178.9° | 180.0° |
CAB | CAA | CAI | H4 | 38.0° | 25.7° |
OAX | CAV | CAO | NAN | 145.3° | 35.0° |
OAX | CAV | CAO | CAT | 96.6° | 85.0° |
OAX | CAV | CAO | CAS | 22.7° | 155.0° |
CAV | CAO | NAN | CAM | 55.2° | 60.0° |
CAV | CAO | NAN | CAT | 117.0° | 120.0° |
CAV | CAO | NAN | CAS | 122.0° | 120.0° |
CAV | CAO | CAT | CAS | 120.2° | 120.0° |
CAV | CAO | CAT | CAU | 179.1° | 180.0° |
CAV | CAO | CAS | CAR | 177.6° | 180.0° |
CAV | CAO | CAS | H15 | 62.5° | 60.0° |
CAV | CAO | CAS | H16 | 57.7° | 60.0° |
CAV | CAO | CAT | H17 | 60.9° | 60.1° |
CAV | CAO | CAT | H18 | 59.1° | 60.0° |
CAV | CAO | NAN | H21 | 124.8° | 120.0° |
CAO | CAV | OAX | H22 | 179.6° | 180.0° |
CAE | CAD | CAC | CAB | 0.6° | 0.0° |
CAE | CAD | CAC | H2 | 180.0° | 179.9° |
CAE | CAD | CAC | H1 | 179.4° | 180.0° |
CAD | CAE | CAF | H3 | 178.7° | 180.0° |
CAD | CAE | CAL | H9 | 27.4° | 150.0° |
CAD | CAE | CAL | H10 | 146.4° | 30.1° |
CAM | NAN | CAO | H21 | 180.0° | 179.9° |
CAM | NAN | CAO | CAT | 172.2° | 60.0° |
CAM | NAN | CAO | CAS | 66.8° | 180.0° |
NAN | CAM | CAL | H9 | 170.4° | 60.0° |
NAN | CAM | CAL | H10 | 70.7° | 60.0° |
OAP | CAM | NAN | CAO | 3.6° | 0.0° |
OAP | CAM | CAL | H9 | 9.8° | 120.0° |
OAP | CAM | CAL | H10 | 109.2° | 120.0° |
OAP | CAM | NAN | H21 | 176.4° | 180.0° |
NAN | CAO | CAT | CAS | 122.5° | 120.0° |
NAN | CAO | CAT | CAU | 61.8° | 60.0° |
NAN | CAO | CAS | CAR | 61.8° | 60.0° |
NAN | CAO | CAS | H15 | 58.1° | 60.1° |
NAN | CAO | CAS | H16 | 178.3° | 180.0° |
NAN | CAO | CAT | H17 | 178.2° | 179.9° |
NAN | CAO | CAT | H18 | 58.2° | 60.0° |
CAO | CAT | CAU | H17 | 120.0° | 119.9° |
CAO | CAT | CAU | H18 | 120.0° | 120.0° |
CAO | CAT | CAU | CAQ | 61.0° | 59.9° |
CAT | CAO | CAS | CAR | 59.3° | 60.0° |
CAT | CAO | CAS | H15 | 179.2° | 180.0° |
CAT | CAO | CAS | H16 | 60.6° | 60.0° |
CAO | CAT | H17 | H18 | 119.9° | 120.0° |
CAO | CAT | CAU | H19 | 179.1° | 60.0° |
CAO | CAT | CAU | H20 | 58.9° | 180.0° |
CAT | CAO | NAN | H21 | 7.8° | 120.1° |
CAU | CAT | CAO | CAS | 60.7° | 60.0° |
CAT | CAU | CAQ | H19 | 119.9° | 120.0° |
CAT | CAU | CAQ | H20 | 119.9° | 120.0° |
CAT | CAU | CAQ | CAR | 60.4° | 60.0° |
CAT | CAU | CAQ | H11 | 59.6° | 180.0° |
CAT | CAU | CAQ | H12 | 179.6° | 60.0° |
CAU | CAT | H17 | H18 | 120.0° | 120.1° |
CAT | CAU | H19 | H20 | 120.4° | 120.0° |
CAO | CAS | CAR | H15 | 119.9° | 120.0° |
CAO | CAS | CAR | H16 | 119.9° | 120.0° |
CAO | CAS | CAR | CAQ | 59.2° | 60.0° |
CAO | CAS | CAR | H13 | 60.9° | 180.0° |
CAO | CAS | CAR | H14 | 179.3° | 60.0° |
CAO | CAS | H15 | H16 | 120.3° | 120.0° |
CAS | CAO | CAT | H17 | 59.3° | 59.9° |
CAS | CAO | CAT | H18 | 179.3° | 180.0° |
CAS | CAO | NAN | H21 | 113.2° | 0.1° |
CAG | CAB | CAC | CAD | 179.8° | 180.0° |
CAG | CAB | CAC | H1 | 0.2° | 0.0° |
CAB | CAC | CAD | H1 | 180.0° | 180.0° |
CAC | CAB | CAG | NAH | 176.0° | 77.3° |
CAB | CAC | CAD | H2 | 179.4° | 180.0° |
CAU | CAQ | CAR | CAS | 60.3° | 60.0° |
CAU | CAQ | CAR | H11 | 120.0° | 120.0° |
CAU | CAQ | CAR | H12 | 120.0° | 120.0° |
CAU | CAQ | H11 | H12 | 119.9° | 120.0° |
CAU | CAQ | CAR | H13 | 59.8° | 180.0° |
CAU | CAQ | CAR | H14 | 179.6° | 60.0° |
CAQ | CAU | CAT | H17 | 59.0° | 59.9° |
CAQ | CAU | CAT | H18 | 179.0° | 180.0° |
CAQ | CAU | H19 | H20 | 120.3° | 120.0° |
CAS | CAR | CAQ | H13 | 120.1° | 120.0° |
CAS | CAR | CAQ | H14 | 120.1° | 120.0° |
CAS | CAR | CAQ | H11 | 59.8° | 180.0° |
CAS | CAR | CAQ | H12 | 179.7° | 60.0° |
CAS | CAR | H13 | H14 | 119.6° | 120.0° |
CAR | CAS | H15 | H16 | 120.2° | 120.0° |
CAR | CAQ | H11 | H12 | 119.9° | 120.0° |
CAQ | CAR | H13 | H14 | 119.6° | 120.0° |
CAQ | CAR | CAS | H15 | 179.1° | 180.0° |
CAQ | CAR | CAS | H16 | 60.7° | 60.0° |
CAR | CAQ | CAU | H19 | 179.7° | 60.0° |
CAR | CAQ | CAU | H20 | 59.5° | 180.0° |
H1 | CAC | CAD | H2 | 0.6° | 0.1° |
H4 | CAI | CAJ | H5 | 144.3° | 145.0° |
H4 | CAI | CAJ | H6 | 3.1° | 0.1° |
H4 | CAI | CAK | H7 | 144.3° | 0.0° |
H4 | CAI | CAK | H8 | 3.2° | 145.0° |
H5 | CAJ | CAK | H7 | 0.0° | 145.1° |
H5 | CAJ | CAK | H8 | 141.1° | 0.0° |
H6 | CAJ | CAK | H7 | 141.1° | 0.0° |
H6 | CAJ | CAK | H8 | 0.1° | 145.1° |
H11 | CAQ | CAR | H13 | 179.9° | 60.0° |
H11 | CAQ | CAR | H14 | 60.4° | 60.0° |
H11 | CAQ | CAU | H19 | 60.3° | 60.0° |
H11 | CAQ | CAU | H20 | 179.5° | 59.9° |
H12 | CAQ | CAR | H13 | 60.2° | 60.0° |
H12 | CAQ | CAR | H14 | 59.6° | 180.0° |
H12 | CAQ | CAU | H19 | 59.7° | 180.0° |
H12 | CAQ | CAU | H20 | 60.5° | 60.0° |
H13 | CAR | CAS | H15 | 59.0° | 60.0° |
H13 | CAR | CAS | H16 | 179.2° | 60.0° |
H14 | CAR | CAS | H15 | 60.8° | 60.0° |
H14 | CAR | CAS | H16 | 59.4° | 180.0° |
H17 | CAT | CAU | H19 | 60.9° | 179.9° |
H17 | CAT | CAU | H20 | 178.9° | 60.1° |
H18 | CAT | CAU | H19 | 59.1° | 60.0° |
H18 | CAT | CAU | H20 | 61.1° | 60.0° |