6R2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAF | PAZ | doub | 1.48Å | 1.43Å | |
OAH | PAY | doub | 1.48Å | 1.53Å | |
OAI | PAZ | sing | 1.61Å | 1.50Å | |
OAG | PAY | sing | 1.61Å | 1.51Å | |
PAZ | OAT | sing | 1.61Å | 1.49Å | |
PAZ | CAX | sing | 1.82Å | 1.81Å | |
OAT | CAQ | sing | 1.43Å | 1.39Å | |
PAY | CAX | sing | 1.82Å | 1.77Å | |
PAY | OAE | sing | 1.61Å | 1.41Å | |
CAQ | CAN | sing | 1.51Å | 1.50Å | |
CAX | CLJ | sing | 1.80Å | 1.66Å | |
CAX | CLK | sing | 1.80Å | 1.75Å | |
CAN | CAW | doub | 1.31Å | 1.51Å | |
CAD | CAW | sing | 1.51Å | 1.52Å | |
CAW | CAS | sing | 1.51Å | 1.51Å | |
CAC | CAV | sing | 1.51Å | 1.51Å | |
CAS | CAP | sing | 1.53Å | 1.52Å | |
CAR | CAV | sing | 1.51Å | 1.47Å | |
CAR | CAO | sing | 1.53Å | 1.46Å | |
CAV | CAM | doub | 1.31Å | 1.46Å | |
CAP | CAM | sing | 1.51Å | 1.51Å | |
CAO | CAL | sing | 1.51Å | 1.45Å | |
CAL | CAU | doub | 1.31Å | 1.53Å | |
CAB | CAU | sing | 1.51Å | 1.50Å | |
CAU | CAA | sing | 1.51Å | 1.46Å | |
OAG | H1 | sing | 0.97Å | 0.95Å | |
OAE | H2 | sing | 0.97Å | 0.95Å | |
OAI | H3 | sing | 0.97Å | 0.95Å | |
CAQ | H4 | sing | 1.09Å | 1.10Å | |
CAQ | H5 | sing | 1.09Å | 1.10Å | |
CAN | H6 | sing | 1.08Å | 1.08Å | |
CAD | H7 | sing | 1.09Å | 1.10Å | |
CAD | H8 | sing | 1.09Å | 1.10Å | |
CAD | H9 | sing | 1.09Å | 1.10Å | |
CAS | H10 | sing | 1.09Å | 1.10Å | |
CAS | H11 | sing | 1.09Å | 1.10Å | |
CAP | H12 | sing | 1.09Å | 1.10Å | |
CAP | H13 | sing | 1.09Å | 1.10Å | |
CAM | H14 | sing | 1.08Å | 1.08Å | |
CAC | H15 | sing | 1.09Å | 1.10Å | |
CAC | H16 | sing | 1.09Å | 1.10Å | |
CAC | H17 | sing | 1.09Å | 1.10Å | |
CAR | H18 | sing | 1.09Å | 1.10Å | |
CAR | H19 | sing | 1.09Å | 1.10Å | |
CAO | H20 | sing | 1.09Å | 1.10Å | |
CAO | H21 | sing | 1.09Å | 1.10Å | |
CAL | H22 | sing | 1.08Å | 1.08Å | |
CAB | H23 | sing | 1.09Å | 1.10Å | |
CAB | H24 | sing | 1.09Å | 1.10Å | |
CAB | H25 | sing | 1.09Å | 1.10Å | |
CAA | H26 | sing | 1.09Å | 1.10Å | |
CAA | H27 | sing | 1.09Å | 1.10Å | |
CAA | H28 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAF | PAZ | OAI | 112.7° | 109.5° |
OAF | PAZ | OAT | 115.6° | 109.5° |
OAF | PAZ | CAX | 106.7° | 109.5° |
OAH | PAY | OAG | 107.6° | 109.4° |
OAH | PAY | CAX | 107.7° | 109.5° |
OAH | PAY | OAE | 113.8° | 109.5° |
OAI | PAZ | OAT | 112.0° | 109.5° |
OAI | PAZ | CAX | 103.4° | 109.4° |
PAZ | OAI | H3 | 109.5° | 114.1° |
OAG | PAY | CAX | 106.6° | 109.4° |
OAG | PAY | OAE | 107.2° | 109.5° |
PAY | OAG | H1 | 109.5° | 114.0° |
OAT | PAZ | CAX | 105.2° | 109.5° |
PAZ | OAT | CAQ | 135.2° | 123.0° |
PAZ | CAX | PAY | 113.3° | 109.4° |
PAZ | CAX | CLJ | 109.6° | 109.5° |
PAZ | CAX | CLK | 108.8° | 109.4° |
OAT | CAQ | CAN | 107.2° | 109.5° |
OAT | CAQ | H4 | 110.0° | 109.4° |
OAT | CAQ | H5 | 110.0° | 109.4° |
CAX | PAY | OAE | 113.5° | 109.5° |
PAY | CAX | CLJ | 104.7° | 109.5° |
PAY | CAX | CLK | 109.3° | 109.5° |
PAY | OAE | H2 | 109.5° | 114.1° |
CAQ | CAN | CAW | 125.4° | 120.0° |
CAN | CAQ | H4 | 110.0° | 109.5° |
CAN | CAQ | H5 | 110.0° | 109.5° |
CAQ | CAN | H6 | 117.3° | 120.0° |
CLJ | CAX | CLK | 111.1° | 109.5° |
CAN | CAW | CAD | 124.7° | 120.0° |
CAN | CAW | CAS | 117.3° | 120.0° |
CAW | CAN | H6 | 117.3° | 120.0° |
CAD | CAW | CAS | 118.0° | 119.9° |
CAW | CAD | H7 | 109.5° | 109.4° |
CAW | CAD | H8 | 109.4° | 109.5° |
CAW | CAD | H9 | 109.5° | 109.4° |
CAW | CAS | CAP | 113.0° | 109.5° |
CAW | CAS | H10 | 108.6° | 109.5° |
CAW | CAS | H11 | 108.6° | 109.5° |
CAC | CAV | CAR | 121.3° | 120.0° |
CAC | CAV | CAM | 119.4° | 120.0° |
CAV | CAC | H15 | 109.5° | 109.4° |
CAV | CAC | H16 | 109.5° | 109.5° |
CAV | CAC | H17 | 109.5° | 109.5° |
CAS | CAP | CAM | 106.1° | 109.4° |
CAP | CAS | H10 | 108.6° | 109.5° |
CAP | CAS | H11 | 108.6° | 109.5° |
CAS | CAP | H12 | 110.3° | 109.5° |
CAS | CAP | H13 | 110.3° | 109.5° |
CAV | CAR | CAO | 114.3° | 109.5° |
CAR | CAV | CAM | 119.0° | 120.0° |
CAV | CAR | H18 | 108.3° | 109.6° |
CAV | CAR | H19 | 108.3° | 109.5° |
CAR | CAO | CAL | 110.7° | 109.5° |
CAO | CAR | H18 | 108.3° | 109.4° |
CAO | CAR | H19 | 108.3° | 109.4° |
CAR | CAO | H20 | 109.2° | 109.5° |
CAR | CAO | H21 | 109.2° | 109.5° |
CAV | CAM | CAP | 116.1° | 120.0° |
CAV | CAM | H14 | 121.9° | 120.0° |
CAM | CAP | H12 | 110.3° | 109.4° |
CAM | CAP | H13 | 110.3° | 109.4° |
CAP | CAM | H14 | 121.9° | 120.0° |
CAO | CAL | CAU | 115.5° | 120.0° |
CAL | CAO | H20 | 109.2° | 109.5° |
CAL | CAO | H21 | 109.1° | 109.4° |
CAO | CAL | H22 | 122.3° | 120.0° |
CAL | CAU | CAB | 123.6° | 119.9° |
CAL | CAU | CAA | 118.6° | 120.0° |
CAU | CAL | H22 | 122.3° | 120.0° |
CAB | CAU | CAA | 117.8° | 120.0° |
CAU | CAB | H23 | 109.5° | 109.5° |
CAU | CAB | H24 | 109.5° | 109.5° |
CAU | CAB | H25 | 109.5° | 109.5° |
CAU | CAA | H26 | 109.5° | 109.4° |
CAU | CAA | H27 | 109.5° | 109.4° |
CAU | CAA | H28 | 109.5° | 109.5° |
H4 | CAQ | H5 | 109.5° | 109.4° |
H7 | CAD | H8 | 109.5° | 109.5° |
H7 | CAD | H9 | 109.4° | 109.4° |
H8 | CAD | H9 | 109.5° | 109.5° |
H10 | CAS | H11 | 109.5° | 109.4° |
H12 | CAP | H13 | 109.5° | 109.5° |
H15 | CAC | H16 | 109.5° | 109.4° |
H15 | CAC | H17 | 109.5° | 109.5° |
H16 | CAC | H17 | 109.5° | 109.5° |
H18 | CAR | H19 | 109.4° | 109.4° |
H20 | CAO | H21 | 109.5° | 109.5° |
H23 | CAB | H24 | 109.5° | 109.4° |
H23 | CAB | H25 | 109.5° | 109.4° |
H24 | CAB | H25 | 109.4° | 109.5° |
H26 | CAA | H27 | 109.5° | 109.5° |
H26 | CAA | H28 | 109.5° | 109.5° |
H27 | CAA | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAF | PAZ | OAI | OAT | 132.4° | 120.0° |
OAF | PAZ | OAI | CAX | 114.8° | 120.0° |
OAF | PAZ | OAT | CAX | 117.5° | 120.0° |
OAF | PAZ | OAT | CAQ | 146.7° | 55.0° |
OAF | PAZ | CAX | PAY | 31.8° | 60.0° |
OAF | PAZ | CAX | CLJ | 84.7° | 180.0° |
OAF | PAZ | CAX | CLK | 153.6° | 60.0° |
OAF | PAZ | OAI | H3 | 0.0° | 180.0° |
OAH | PAY | OAG | CAX | 115.3° | 120.0° |
OAH | PAY | OAG | OAE | 122.8° | 120.0° |
OAH | PAY | CAX | PAZ | 57.7° | 60.0° |
OAH | PAY | CAX | OAE | 127.0° | 120.0° |
OAH | PAY | CAX | CLJ | 61.7° | 180.0° |
OAH | PAY | CAX | CLK | 179.2° | 60.0° |
OAH | PAY | OAG | H1 | 0.0° | 60.1° |
OAH | PAY | OAE | H2 | 0.0° | 180.0° |
OAI | PAZ | OAT | CAX | 111.7° | 119.9° |
OAI | PAZ | OAT | CAQ | 15.8° | 65.0° |
OAI | PAZ | CAX | PAY | 87.2° | 60.1° |
OAI | PAZ | CAX | CLJ | 156.3° | 60.0° |
OAI | PAZ | CAX | CLK | 34.6° | 180.0° |
OAG | PAY | CAX | PAZ | 57.6° | 180.0° |
OAG | PAY | CAX | OAE | 117.8° | 120.0° |
OAG | PAY | CAX | CLJ | 176.9° | 60.0° |
OAG | PAY | CAX | CLK | 63.9° | 60.0° |
OAG | PAY | OAE | H2 | 118.8° | 60.0° |
OAT | PAZ | CAX | PAY | 155.2° | 180.0° |
PAZ | OAT | CAQ | CAN | 105.5° | 180.0° |
OAT | PAZ | CAX | CLJ | 38.6° | 60.0° |
OAT | PAZ | CAX | CLK | 83.1° | 60.0° |
OAT | PAZ | OAI | H3 | 132.4° | 60.0° |
PAZ | OAT | CAQ | H4 | 134.9° | 59.9° |
PAZ | OAT | CAQ | H5 | 14.2° | 60.0° |
CAX | PAZ | OAT | CAQ | 95.8° | 175.0° |
PAZ | CAX | PAY | CLJ | 119.4° | 120.0° |
PAZ | CAX | PAY | CLK | 121.5° | 119.9° |
PAZ | CAX | PAY | OAE | 175.3° | 60.1° |
PAZ | CAX | CLJ | CLK | 120.3° | 120.0° |
CAX | PAZ | OAI | H3 | 114.8° | 60.0° |
OAT | CAQ | CAN | H4 | 119.7° | 120.0° |
OAT | CAQ | CAN | H5 | 119.6° | 120.0° |
OAT | CAQ | CAN | CAW | 135.2° | 135.1° |
OAT | CAQ | H4 | H5 | 121.0° | 119.9° |
OAT | CAQ | CAN | H6 | 44.8° | 44.9° |
PAY | CAX | CLJ | CLK | 117.8° | 120.0° |
CAX | PAY | OAG | H1 | 115.3° | 179.9° |
CAX | PAY | OAE | H2 | 123.7° | 60.0° |
OAE | PAY | CAX | CLJ | 65.3° | 60.0° |
OAE | PAY | CAX | CLK | 53.8° | 180.0° |
OAE | PAY | OAG | H1 | 122.8° | 60.0° |
CAQ | CAN | CAW | H6 | 180.0° | 180.0° |
CAQ | CAN | CAW | CAD | 1.1° | 5.6° |
CAQ | CAN | CAW | CAS | 177.8° | 174.4° |
CAN | CAQ | H4 | H5 | 121.0° | 120.0° |
CAN | CAW | CAD | CAS | 178.9° | 180.0° |
CAN | CAW | CAS | CAP | 120.8° | 95.0° |
CAW | CAN | CAQ | H4 | 15.5° | 104.9° |
CAW | CAN | CAQ | H5 | 105.2° | 15.1° |
CAN | CAW | CAD | H7 | 180.0° | 84.8° |
CAN | CAW | CAD | H8 | 60.0° | 155.2° |
CAN | CAW | CAD | H9 | 60.0° | 35.1° |
CAN | CAW | CAS | H10 | 118.7° | 145.0° |
CAN | CAW | CAS | H11 | 0.3° | 25.0° |
CAD | CAW | CAS | CAP | 60.2° | 85.0° |
CAD | CAW | CAN | H6 | 178.9° | 174.4° |
CAW | CAD | H7 | H8 | 120.0° | 120.0° |
CAW | CAD | H7 | H9 | 120.0° | 119.9° |
CAW | CAD | H8 | H9 | 120.0° | 120.0° |
CAD | CAW | CAS | H10 | 60.3° | 35.1° |
CAD | CAW | CAS | H11 | 179.3° | 155.0° |
CAW | CAS | CAP | H10 | 120.5° | 120.0° |
CAW | CAS | CAP | H11 | 120.5° | 120.0° |
CAW | CAS | CAP | CAM | 72.2° | 180.0° |
CAS | CAW | CAN | H6 | 2.1° | 5.6° |
CAS | CAW | CAD | H7 | 1.1° | 95.2° |
CAS | CAW | CAD | H8 | 121.1° | 24.8° |
CAS | CAW | CAD | H9 | 118.9° | 144.9° |
CAW | CAS | H10 | H11 | 118.4° | 120.0° |
CAW | CAS | CAP | H12 | 168.3° | 60.0° |
CAW | CAS | CAP | H13 | 47.2° | 60.1° |
CAC | CAV | CAR | CAM | 173.8° | 180.0° |
CAC | CAV | CAR | CAO | 71.5° | 85.0° |
CAC | CAV | CAM | CAP | 2.2° | 5.9° |
CAC | CAV | CAM | H14 | 177.8° | 174.1° |
CAV | CAC | H15 | H16 | 120.0° | 120.0° |
CAV | CAC | H15 | H17 | 120.0° | 120.1° |
CAV | CAC | H16 | H17 | 120.0° | 120.1° |
CAC | CAV | CAR | H18 | 49.2° | 35.0° |
CAC | CAV | CAR | H19 | 167.7° | 155.1° |
CAS | CAP | CAM | CAV | 151.0° | 120.8° |
CAS | CAP | CAM | H12 | 119.5° | 120.0° |
CAS | CAP | CAM | H13 | 119.5° | 120.0° |
CAP | CAS | H10 | H11 | 118.4° | 120.0° |
CAS | CAP | H12 | H13 | 121.6° | 120.1° |
CAS | CAP | CAM | H14 | 29.0° | 59.2° |
CAV | CAR | CAO | H18 | 120.7° | 120.1° |
CAV | CAR | CAO | H19 | 120.7° | 120.0° |
CAR | CAV | CAM | CAP | 176.1° | 174.1° |
CAV | CAR | CAO | CAL | 67.9° | 180.0° |
CAR | CAV | CAM | H14 | 3.9° | 5.8° |
CAR | CAV | CAC | H15 | 180.0° | 93.5° |
CAR | CAV | CAC | H16 | 60.0° | 26.4° |
CAR | CAV | CAC | H17 | 60.0° | 146.4° |
CAV | CAR | H18 | H19 | 117.8° | 120.1° |
CAV | CAR | CAO | H20 | 52.3° | 60.0° |
CAV | CAR | CAO | H21 | 171.9° | 60.0° |
CAO | CAR | CAV | CAM | 114.6° | 95.0° |
CAR | CAO | CAL | H20 | 120.2° | 120.0° |
CAR | CAO | CAL | H21 | 120.2° | 120.0° |
CAR | CAO | CAL | CAU | 166.4° | 125.0° |
CAO | CAR | H18 | H19 | 117.8° | 119.9° |
CAR | CAO | H20 | H21 | 119.4° | 120.0° |
CAR | CAO | CAL | H22 | 13.6° | 55.0° |
CAV | CAM | CAP | H14 | 180.0° | 179.9° |
CAV | CAM | CAP | H12 | 89.6° | 0.8° |
CAV | CAM | CAP | H13 | 31.5° | 119.2° |
CAM | CAV | CAC | H15 | 6.2° | 86.5° |
CAM | CAV | CAC | H16 | 113.8° | 153.6° |
CAM | CAV | CAC | H17 | 126.2° | 33.5° |
CAM | CAV | CAR | H18 | 124.6° | 145.0° |
CAM | CAV | CAR | H19 | 6.1° | 25.0° |
CAM | CAP | CAS | H10 | 48.3° | 60.0° |
CAM | CAP | CAS | H11 | 167.3° | 60.0° |
CAM | CAP | H12 | H13 | 121.5° | 120.0° |
CAO | CAL | CAU | H22 | 180.0° | 180.0° |
CAO | CAL | CAU | CAB | 0.8° | 180.0° |
CAO | CAL | CAU | CAA | 179.6° | 0.0° |
CAL | CAO | CAR | H18 | 171.3° | 59.9° |
CAL | CAO | CAR | H19 | 52.8° | 60.0° |
CAL | CAO | H20 | H21 | 119.4° | 119.9° |
CAL | CAU | CAB | CAA | 179.5° | 180.0° |
CAU | CAL | CAO | H20 | 73.4° | 5.0° |
CAU | CAL | CAO | H21 | 46.2° | 115.0° |
CAL | CAU | CAB | H23 | 180.0° | 90.0° |
CAL | CAU | CAB | H24 | 60.0° | 150.0° |
CAL | CAU | CAB | H25 | 60.0° | 30.0° |
CAL | CAU | CAA | H26 | 180.0° | 60.0° |
CAL | CAU | CAA | H27 | 60.0° | 180.0° |
CAL | CAU | CAA | H28 | 60.0° | 59.9° |
CAB | CAU | CAL | H22 | 179.2° | 0.0° |
CAU | CAB | H23 | H24 | 120.0° | 120.0° |
CAU | CAB | H23 | H25 | 120.0° | 120.0° |
CAU | CAB | H24 | H25 | 120.0° | 120.0° |
CAB | CAU | CAA | H26 | 0.4° | 120.0° |
CAB | CAU | CAA | H27 | 119.6° | 0.1° |
CAB | CAU | CAA | H28 | 120.4° | 120.0° |
CAA | CAU | CAL | H22 | 0.4° | 180.0° |
CAA | CAU | CAB | H23 | 0.4° | 90.0° |
CAA | CAU | CAB | H24 | 120.5° | 30.0° |
CAA | CAU | CAB | H25 | 119.6° | 150.0° |
CAU | CAA | H26 | H27 | 120.0° | 119.9° |
CAU | CAA | H26 | H28 | 120.0° | 120.0° |
CAU | CAA | H27 | H28 | 120.0° | 120.0° |
H4 | CAQ | CAN | H6 | 164.5° | 75.1° |
H5 | CAQ | CAN | H6 | 74.8° | 164.9° |
H7 | CAD | H8 | H9 | 120.0° | 120.0° |
H10 | CAS | CAP | H12 | 71.2° | 179.9° |
H10 | CAS | CAP | H13 | 167.8° | 60.0° |
H11 | CAS | CAP | H12 | 47.8° | 60.0° |
H11 | CAS | CAP | H13 | 73.3° | 179.9° |
H12 | CAP | CAM | H14 | 90.4° | 179.2° |
H13 | CAP | CAM | H14 | 148.5° | 60.8° |
H15 | CAC | H16 | H17 | 120.0° | 120.0° |
H18 | CAR | CAO | H20 | 68.5° | 179.9° |
H18 | CAR | CAO | H21 | 51.2° | 60.1° |
H19 | CAR | CAO | H20 | 173.0° | 60.0° |
H19 | CAR | CAO | H21 | 67.4° | 180.0° |
H20 | CAO | CAL | H22 | 106.5° | 175.0° |
H21 | CAO | CAL | H22 | 133.8° | 65.1° |
H23 | CAB | H24 | H25 | 120.0° | 119.9° |
H26 | CAA | H27 | H28 | 120.0° | 120.1° |