1WO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAU | sing | 1.53Å | 1.51Å | |
CAW | CAU | sing | 1.53Å | 1.46Å | |
CAU | CAT | sing | 1.51Å | 1.40Å | |
CAS | CAT | doub | 1.34Å | 1.38Å | |
CAS | CAR | sing | 1.47Å | 1.31Å | |
CAT | CAB | sing | 1.46Å | 1.40Å | |
CAQ | CAR | doub | 1.38Å | 1.31Å | |
CAQ | CAO | sing | 1.48Å | 1.40Å | |
CAR | CAE | sing | 1.47Å | 1.38Å | |
OAP | CAO | doub | 1.21Å | 1.27Å | |
CAB | OAA | doub | 1.22Å | 1.26Å | |
CAB | CAC | sing | 1.48Å | 1.43Å | |
CAO | CAN | sing | 1.51Å | 1.48Å | |
CAE | CAC | doub | 1.35Å | 1.43Å | |
CAE | CAF | sing | 1.52Å | 1.44Å | |
CAC | OAD | sing | 1.36Å | 1.36Å | |
CAN | CAF | sing | 1.52Å | 1.51Å | |
CAN | CAK | sing | 1.51Å | 1.61Å | |
CAF | CAG | sing | 1.54Å | 1.51Å | |
CAF | CAH | sing | 1.52Å | 1.40Å | |
CAL | CAK | sing | 1.53Å | 1.50Å | |
CAK | CAM | sing | 1.55Å | 1.56Å | |
CAK | CAJ | sing | 1.53Å | 1.61Å | |
CAH | CAI | sing | 1.53Å | 1.61Å | |
CAJ | CAI | sing | 1.53Å | 1.53Å | |
OAD | H1 | sing | 0.97Å | 0.95Å | |
CAG | H2 | sing | 1.09Å | 1.10Å | |
CAG | H3 | sing | 1.09Å | 1.10Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAH | H5 | sing | 1.10Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.08Å | 1.10Å | |
CAI | H8 | sing | 1.10Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAJ | H10 | sing | 1.09Å | 1.10Å | |
CAL | H11 | sing | 1.09Å | 1.10Å | |
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 | |
CAM | H16 | sing | 1.09Å | 1.10Å | |
CAN | H17 | sing | 1.12Å | 1.10Å | |
CAQ | H18 | sing | 1.08Å | 1.08Å | |
CAS | H19 | sing | 1.08Å | 1.08Å | |
CAU | H20 | sing | 1.09Å | 1.10Å | |
CAW | H21 | sing | 1.09Å | 1.10Å | |
CAW | H22 | sing | 1.09Å | 1.10Å | |
CAW | H23 | sing | 1.09Å | 1.10Å | |
CAV | H24 | sing | 1.09Å | 1.10Å | |
CAV | H25 | sing | 1.09Å | 1.10Å | |
CAV | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAV | CAU | CAW | 101.1° | 109.5° |
CAV | CAU | CAT | 109.3° | 109.5° |
CAV | CAU | H20 | 110.2° | 109.5° |
CAU | CAV | H24 | 109.5° | 109.5° |
CAU | CAV | H25 | 109.5° | 109.5° |
CAU | CAV | H26 | 109.5° | 109.5° |
CAW | CAU | CAT | 112.7° | 109.5° |
CAW | CAU | H20 | 111.0° | 109.5° |
CAU | CAW | H21 | 109.5° | 109.5° |
CAU | CAW | H22 | 109.5° | 109.5° |
CAU | CAW | H23 | 109.5° | 109.5° |
CAU | CAT | CAS | 118.3° | 120.2° |
CAU | CAT | CAB | 122.5° | 120.2° |
CAT | CAU | H20 | 112.0° | 109.4° |
CAT | CAS | CAR | 126.2° | 120.2° |
CAS | CAT | CAB | 119.1° | 119.6° |
CAT | CAS | H19 | 116.9° | 120.0° |
CAS | CAR | CAQ | 112.4° | 118.6° |
CAS | CAR | CAE | 119.9° | 120.4° |
CAR | CAS | H19 | 116.9° | 119.9° |
CAT | CAB | OAA | 121.5° | 120.3° |
CAT | CAB | CAC | 113.8° | 120.2° |
CAR | CAQ | CAO | 117.4° | 119.3° |
CAQ | CAR | CAE | 126.6° | 121.0° |
CAR | CAQ | H18 | 121.3° | 120.6° |
CAQ | CAO | OAP | 120.0° | 119.7° |
CAQ | CAO | CAN | 116.6° | 116.2° |
CAO | CAQ | H18 | 121.3° | 120.1° |
CAR | CAE | CAC | 115.4° | 119.2° |
CAR | CAE | CAF | 120.9° | 117.9° |
OAP | CAO | CAN | 122.6° | 124.0° |
OAA | CAB | CAC | 124.7° | 119.5° |
CAB | CAC | CAE | 125.1° | 120.1° |
CAB | CAC | OAD | 116.6° | 116.9° |
CAO | CAN | CAF | 115.3° | 109.1° |
CAO | CAN | CAK | 116.3° | 113.6° |
CAO | CAN | H17 | 104.6° | 105.3° |
CAC | CAE | CAF | 123.3° | 122.9° |
CAE | CAC | OAD | 118.2° | 123.0° |
CAE | CAF | CAN | 110.3° | 108.1° |
CAE | CAF | CAG | 101.2° | 105.9° |
CAE | CAF | CAH | 122.8° | 111.6° |
CAC | OAD | H1 | 109.5° | 114.0° |
CAF | CAN | CAK | 111.2° | 116.1° |
CAN | CAF | CAG | 110.6° | 110.7° |
CAN | CAF | CAH | 108.7° | 111.6° |
CAF | CAN | H17 | 104.3° | 105.8° |
CAN | CAK | CAL | 106.3° | 113.6° |
CAN | CAK | CAM | 108.0° | 108.5° |
CAN | CAK | CAJ | 111.8° | 110.8° |
CAK | CAN | H17 | 103.4° | 106.0° |
CAG | CAF | CAH | 102.3° | 108.9° |
CAF | CAG | H2 | 109.5° | 109.5° |
CAF | CAG | H3 | 109.5° | 109.5° |
CAF | CAG | H4 | 109.4° | 109.5° |
CAF | CAH | CAI | 107.1° | 110.9° |
CAF | CAH | H5 | 110.1° | 109.4° |
CAF | CAH | H6 | 110.0° | 110.3° |
CAL | CAK | CAM | 108.2° | 107.7° |
CAL | CAK | CAJ | 111.5° | 109.2° |
CAK | CAL | H11 | 109.5° | 109.4° |
CAK | CAL | H12 | 109.4° | 109.5° |
CAK | CAL | H13 | 109.5° | 109.5° |
CAM | CAK | CAJ | 110.8° | 106.9° |
CAK | CAM | H14 | 109.5° | 109.5° |
CAK | CAM | H15 | 109.4° | 109.4° |
CAK | CAM | H16 | 109.5° | 109.5° |
CAK | CAJ | CAI | 105.6° | 110.4° |
CAK | CAJ | H9 | 110.4° | 109.1° |
CAK | CAJ | H10 | 110.4° | 109.1° |
CAH | CAI | CAJ | 116.6° | 109.5° |
CAI | CAH | H5 | 110.1° | 107.2° |
CAI | CAH | H6 | 110.0° | 109.3° |
CAH | CAI | H7 | 107.6° | 110.7° |
CAH | CAI | H8 | 107.7° | 108.6° |
CAJ | CAI | H7 | 107.7° | 110.9° |
CAJ | CAI | H8 | 107.7° | 108.7° |
CAI | CAJ | H9 | 110.4° | 109.6° |
CAI | CAJ | H10 | 110.5° | 109.6° |
H2 | CAG | H3 | 109.5° | 109.5° |
H2 | CAG | H4 | 109.5° | 109.5° |
H3 | CAG | H4 | 109.5° | 109.4° |
H5 | CAH | H6 | 109.5° | 109.6° |
H7 | CAI | H8 | 109.5° | 108.4° |
H9 | CAJ | H10 | 109.5° | 109.1° |
H11 | CAL | H12 | 109.5° | 109.5° |
H11 | CAL | H13 | 109.5° | 109.5° |
H12 | CAL | H13 | 109.5° | 109.5° |
H14 | CAM | H15 | 109.5° | 109.5° |
H14 | CAM | H16 | 109.4° | 109.5° |
H15 | CAM | H16 | 109.4° | 109.4° |
H21 | CAW | H22 | 109.4° | 109.5° |
H21 | CAW | H23 | 109.5° | 109.5° |
H22 | CAW | H23 | 109.5° | 109.4° |
H24 | CAV | H25 | 109.5° | 109.5° |
H24 | CAV | H26 | 109.5° | 109.4° |
H25 | CAV | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAV | CAU | CAW | CAT | 116.6° | 120.0° |
CAV | CAU | CAW | H20 | 116.9° | 120.0° |
CAV | CAU | CAT | H20 | 122.4° | 120.0° |
CAV | CAU | CAT | CAS | 64.9° | 120.0° |
CAV | CAU | CAT | CAB | 113.5° | 59.9° |
CAV | CAU | CAW | H21 | 180.0° | 60.0° |
CAV | CAU | CAW | H22 | 60.0° | 180.0° |
CAV | CAU | CAW | H23 | 60.0° | 60.0° |
CAU | CAV | H24 | H25 | 120.0° | 120.0° |
CAU | CAV | H24 | H26 | 120.0° | 120.0° |
CAU | CAV | H25 | H26 | 120.0° | 120.0° |
CAW | CAU | CAT | H20 | 125.9° | 119.9° |
CAW | CAU | CAT | CAS | 46.7° | 120.0° |
CAW | CAU | CAT | CAB | 134.9° | 60.1° |
CAU | CAW | H21 | H22 | 120.0° | 120.0° |
CAU | CAW | H21 | H23 | 120.0° | 120.0° |
CAU | CAW | H22 | H23 | 120.0° | 120.0° |
CAW | CAU | CAV | H24 | 180.0° | 180.0° |
CAW | CAU | CAV | H25 | 60.0° | 60.0° |
CAW | CAU | CAV | H26 | 60.0° | 60.0° |
CAU | CAT | CAS | CAB | 178.5° | 179.9° |
CAU | CAT | CAS | CAR | 176.2° | 179.9° |
CAU | CAT | CAB | OAA | 2.6° | 3.9° |
CAU | CAT | CAB | CAC | 178.7° | 175.3° |
CAU | CAT | CAS | H19 | 3.8° | 0.1° |
CAT | CAU | CAW | H21 | 63.4° | 180.0° |
CAT | CAU | CAW | H22 | 176.6° | 60.0° |
CAT | CAU | CAW | H23 | 56.6° | 60.0° |
CAT | CAU | CAV | H24 | 60.9° | 60.0° |
CAT | CAU | CAV | H25 | 59.1° | 180.0° |
CAT | CAU | CAV | H26 | 179.1° | 60.0° |
CAT | CAS | CAR | H19 | 180.0° | 179.9° |
CAT | CAS | CAR | CAQ | 176.1° | 174.0° |
CAT | CAS | CAR | CAE | 7.5° | 5.5° |
CAS | CAT | CAB | OAA | 179.0° | 176.2° |
CAS | CAT | CAB | CAC | 0.2° | 4.6° |
CAS | CAT | CAU | H20 | 172.6° | 0.1° |
CAR | CAS | CAT | CAB | 5.3° | 0.2° |
CAS | CAR | CAQ | CAE | 167.7° | 179.5° |
CAS | CAR | CAQ | CAO | 168.0° | 172.9° |
CAS | CAR | CAE | CAC | 4.2° | 5.8° |
CAS | CAR | CAE | CAF | 169.8° | 173.1° |
CAS | CAR | CAQ | H18 | 12.0° | 7.0° |
CAT | CAB | OAA | CAC | 178.7° | 179.2° |
CAT | CAB | CAC | CAE | 2.4° | 4.3° |
CAT | CAB | CAC | OAD | 179.9° | 175.9° |
CAB | CAT | CAS | H19 | 174.7° | 179.8° |
CAB | CAT | CAU | H20 | 8.9° | 180.0° |
CAR | CAQ | CAO | H18 | 180.0° | 179.9° |
CAR | CAQ | CAO | OAP | 167.5° | 165.1° |
CAR | CAQ | CAO | CAN | 22.4° | 15.5° |
CAQ | CAR | CAE | CAC | 171.1° | 173.7° |
CAQ | CAR | CAE | CAF | 3.0° | 7.4° |
CAQ | CAR | CAS | H19 | 3.9° | 5.9° |
CAO | CAQ | CAR | CAE | 0.3° | 6.6° |
CAQ | CAO | OAP | CAN | 169.5° | 179.4° |
CAQ | CAO | CAN | CAF | 41.8° | 49.5° |
CAQ | CAO | CAN | CAK | 174.7° | 179.2° |
CAQ | CAO | CAN | H17 | 72.0° | 63.6° |
CAR | CAE | CAC | CAB | 0.5° | 0.9° |
CAR | CAE | CAC | CAF | 173.9° | 178.9° |
CAR | CAE | CAC | OAD | 178.2° | 178.9° |
CAR | CAE | CAF | CAN | 16.0° | 40.8° |
CAR | CAE | CAF | CAG | 101.1° | 77.8° |
CAR | CAE | CAF | CAH | 146.1° | 163.9° |
CAE | CAR | CAQ | H18 | 179.7° | 173.5° |
CAE | CAR | CAS | H19 | 172.5° | 174.6° |
OAP | CAO | CAN | CAF | 148.3° | 131.1° |
OAP | CAO | CAN | CAK | 15.5° | 0.2° |
OAP | CAO | CAN | H17 | 97.8° | 115.8° |
OAP | CAO | CAQ | H18 | 12.5° | 14.9° |
OAA | CAB | CAC | CAE | 176.3° | 176.5° |
OAA | CAB | CAC | OAD | 1.4° | 3.3° |
CAB | CAC | CAE | OAD | 177.7° | 179.8° |
CAB | CAC | CAE | CAF | 174.5° | 177.9° |
CAB | CAC | OAD | H1 | 0.6° | 0.0° |
CAO | CAN | CAF | CAE | 36.8° | 59.9° |
CAO | CAN | CAF | CAK | 135.2° | 129.9° |
CAO | CAN | CAF | H17 | 114.1° | 112.8° |
CAO | CAN | CAK | H17 | 114.0° | 115.2° |
CAO | CAN | CAF | CAG | 74.3° | 55.6° |
CAO | CAN | CAF | CAH | 174.1° | 177.1° |
CAO | CAN | CAK | CAL | 3.5° | 52.4° |
CAO | CAN | CAK | CAM | 119.5° | 67.2° |
CAO | CAN | CAK | CAJ | 118.4° | 175.7° |
CAN | CAO | CAQ | H18 | 157.6° | 164.5° |
CAC | CAE | CAF | CAN | 170.4° | 140.3° |
CAC | CAE | CAF | CAG | 72.5° | 101.1° |
CAC | CAE | CAF | CAH | 40.3° | 17.3° |
CAE | CAC | OAD | H1 | 177.2° | 179.8° |
CAF | CAE | CAC | OAD | 7.9° | 2.3° |
CAE | CAF | CAN | CAG | 111.1° | 115.5° |
CAE | CAF | CAN | CAH | 137.3° | 123.0° |
CAE | CAF | CAN | CAK | 172.0° | 170.2° |
CAE | CAF | CAG | CAH | 127.5° | 120.1° |
CAE | CAF | CAH | CAI | 155.2° | 173.1° |
CAE | CAF | CAG | H2 | 180.0° | 52.9° |
CAE | CAF | CAG | H3 | 60.0° | 172.9° |
CAE | CAF | CAG | H4 | 60.0° | 67.2° |
CAE | CAF | CAH | H5 | 35.5° | 68.8° |
CAE | CAF | CAH | H6 | 85.2° | 51.8° |
CAE | CAF | CAN | H17 | 77.2° | 52.9° |
CAF | CAN | CAK | H17 | 111.4° | 117.1° |
CAN | CAF | CAG | CAH | 115.7° | 123.0° |
CAF | CAN | CAK | CAL | 138.2° | 75.3° |
CAF | CAN | CAK | CAM | 105.8° | 165.1° |
CAF | CAN | CAK | CAJ | 16.3° | 48.0° |
CAN | CAF | CAH | CAI | 74.0° | 52.1° |
CAN | CAF | CAG | H2 | 63.2° | 169.7° |
CAN | CAF | CAG | H3 | 56.8° | 70.2° |
CAN | CAF | CAG | H4 | 176.9° | 49.7° |
CAN | CAF | CAH | H5 | 166.3° | 170.1° |
CAN | CAF | CAH | H6 | 45.6° | 69.2° |
CAK | CAN | CAF | CAG | 60.9° | 74.3° |
CAK | CAN | CAF | CAH | 50.7° | 47.1° |
CAN | CAK | CAL | CAM | 115.9° | 120.1° |
CAN | CAK | CAL | CAJ | 122.1° | 124.2° |
CAN | CAK | CAM | CAJ | 122.8° | 119.5° |
CAN | CAK | CAJ | CAI | 54.7° | 54.4° |
CAN | CAK | CAJ | H9 | 174.1° | 174.8° |
CAN | CAK | CAJ | H10 | 64.7° | 66.0° |
CAN | CAK | CAL | H11 | 180.0° | 53.7° |
CAN | CAK | CAL | H12 | 60.0° | 66.3° |
CAN | CAK | CAL | H13 | 60.0° | 173.7° |
CAN | CAK | CAM | H14 | 180.0° | 59.5° |
CAN | CAK | CAM | H15 | 60.0° | 60.4° |
CAN | CAK | CAM | H16 | 60.0° | 179.6° |
CAG | CAF | CAH | CAI | 43.0° | 70.4° |
CAF | CAG | H2 | H3 | 120.0° | 120.0° |
CAF | CAG | H2 | H4 | 120.0° | 120.0° |
CAF | CAG | H3 | H4 | 120.0° | 120.0° |
CAG | CAF | CAH | H5 | 76.7° | 47.7° |
CAG | CAF | CAH | H6 | 162.6° | 168.3° |
CAG | CAF | CAN | H17 | 171.7° | 168.4° |
CAF | CAH | CAI | H5 | 119.6° | 119.4° |
CAF | CAH | CAI | H6 | 119.6° | 121.8° |
CAF | CAH | CAI | CAJ | 29.1° | 60.4° |
CAH | CAF | CAG | H2 | 52.5° | 67.3° |
CAH | CAF | CAG | H3 | 172.5° | 52.8° |
CAH | CAF | CAG | H4 | 67.5° | 172.7° |
CAF | CAH | H5 | H6 | 121.1° | 121.0° |
CAF | CAH | CAI | H7 | 92.0° | 62.2° |
CAF | CAH | CAI | H8 | 150.1° | 178.9° |
CAH | CAF | CAN | H17 | 60.1° | 70.1° |
CAL | CAK | CAM | CAJ | 122.5° | 117.2° |
CAL | CAK | CAJ | CAI | 173.6° | 71.4° |
CAL | CAK | CAJ | H9 | 67.0° | 49.0° |
CAL | CAK | CAJ | H10 | 54.2° | 168.1° |
CAK | CAL | H11 | H12 | 120.0° | 120.0° |
CAK | CAL | H11 | H13 | 120.0° | 120.0° |
CAK | CAL | H12 | H13 | 120.0° | 120.0° |
CAL | CAK | CAM | H14 | 65.3° | 177.2° |
CAL | CAK | CAM | H15 | 174.7° | 62.8° |
CAL | CAK | CAM | H16 | 54.7° | 57.1° |
CAL | CAK | CAN | H17 | 110.4° | 167.6° |
CAM | CAK | CAJ | CAI | 65.8° | 172.4° |
CAM | CAK | CAJ | H9 | 53.6° | 67.1° |
CAM | CAK | CAJ | H10 | 174.8° | 52.0° |
CAM | CAK | CAL | H11 | 64.1° | 66.4° |
CAM | CAK | CAL | H12 | 55.9° | 173.6° |
CAM | CAK | CAL | H13 | 175.8° | 53.6° |
CAK | CAM | H14 | H15 | 120.0° | 120.0° |
CAK | CAM | H14 | H16 | 120.0° | 120.0° |
CAK | CAM | H15 | H16 | 120.0° | 120.0° |
CAM | CAK | CAN | H17 | 5.5° | 47.9° |
CAK | CAJ | CAI | CAH | 33.2° | 61.4° |
CAK | CAJ | CAI | H9 | 119.4° | 120.1° |
CAK | CAJ | CAI | H10 | 119.4° | 120.2° |
CAK | CAJ | CAI | H7 | 154.3° | 61.1° |
CAK | CAJ | CAI | H8 | 87.8° | 179.9° |
CAK | CAJ | H9 | H10 | 121.8° | 119.1° |
CAJ | CAK | CAL | H11 | 57.9° | 177.9° |
CAJ | CAK | CAL | H12 | 177.9° | 58.0° |
CAJ | CAK | CAL | H13 | 62.1° | 62.0° |
CAJ | CAK | CAM | H14 | 57.3° | 60.0° |
CAJ | CAK | CAM | H15 | 62.8° | 180.0° |
CAJ | CAK | CAM | H16 | 177.3° | 60.0° |
CAJ | CAK | CAN | H17 | 127.6° | 69.1° |
CAH | CAI | CAJ | H7 | 121.0° | 122.5° |
CAH | CAI | CAJ | H8 | 121.0° | 118.5° |
CAI | CAH | H5 | H6 | 121.1° | 118.6° |
CAH | CAI | H7 | H8 | 116.7° | 119.0° |
CAH | CAI | CAJ | H9 | 152.6° | 178.5° |
CAH | CAI | CAJ | H10 | 86.1° | 58.8° |
CAJ | CAI | CAH | H5 | 148.7° | 179.7° |
CAJ | CAI | CAH | H6 | 90.5° | 61.5° |
CAJ | CAI | H7 | H8 | 116.8° | 119.2° |
CAI | CAJ | H9 | H10 | 121.8° | 119.9° |
H2 | CAG | H3 | H4 | 120.0° | 120.0° |
H5 | CAH | CAI | H7 | 27.7° | 57.2° |
H5 | CAH | CAI | H8 | 90.3° | 61.7° |
H6 | CAH | CAI | H7 | 148.4° | 176.0° |
H6 | CAH | CAI | H8 | 30.5° | 57.1° |
H7 | CAI | CAJ | H9 | 86.4° | 59.1° |
H7 | CAI | CAJ | H10 | 34.9° | 178.7° |
H8 | CAI | CAJ | H9 | 31.6° | 60.0° |
H8 | CAI | CAJ | H10 | 152.8° | 59.7° |
H11 | CAL | H12 | H13 | 120.0° | 120.0° |
H14 | CAM | H15 | H16 | 120.0° | 120.0° |
H20 | CAU | CAW | H21 | 63.1° | 60.0° |
H20 | CAU | CAW | H22 | 56.9° | 60.0° |
H20 | CAU | CAW | H23 | 176.9° | 179.9° |
H20 | CAU | CAV | H24 | 62.6° | 60.0° |
H20 | CAU | CAV | H25 | 177.4° | 60.0° |
H20 | CAU | CAV | H26 | 57.5° | 180.0° |
H21 | CAW | H22 | H23 | 120.0° | 120.0° |
H24 | CAV | H25 | H26 | 120.0° | 120.0° |