9WO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAD | NAP | doub | 1.32Å | 1.32Å | Aromatic |
CAD | CAF | sing | 1.38Å | 1.35Å | Aromatic |
NAP | CAE | sing | 1.32Å | 1.30Å | Aromatic |
CAF | CAV | doub | 1.40Å | 1.36Å | Aromatic |
CAE | CAG | doub | 1.38Å | 1.36Å | Aromatic |
CAV | CAG | sing | 1.40Å | 1.36Å | Aromatic |
CAV | CAW | sing | 1.48Å | 1.46Å | |
CAW | NAQ | doub | 1.32Å | 1.31Å | Aromatic |
CAW | CAJ | sing | 1.41Å | 1.39Å | Aromatic |
NAQ | NAS | sing | 1.40Å | 1.31Å | Aromatic |
NAS | CAY | sing | 1.36Å | 1.32Å | Aromatic |
CAJ | CAY | doub | 1.36Å | 1.38Å | Aromatic |
CAY | NBC | sing | 1.39Å | 1.42Å | |
NBC | CAO | sing | 1.47Å | 1.50Å | |
NBC | CAN | sing | 1.47Å | 1.54Å | |
OAA | CAU | doub | 1.22Å | 1.19Å | |
CAO | CBB | sing | 1.53Å | 1.51Å | |
CAU | CAX | sing | 1.47Å | 1.53Å | |
CAU | NAR | sing | 1.35Å | 1.46Å | |
CAN | CAL | sing | 1.53Å | 1.53Å | |
CBB | NAR | sing | 1.46Å | 1.49Å | |
CBB | CAM | sing | 1.53Å | 1.46Å | |
CAX | NAT | sing | 1.38Å | 1.32Å | Aromatic |
CAX | CAK | doub | 1.36Å | 1.39Å | Aromatic |
NAT | CBA | sing | 1.38Å | 1.36Å | Aromatic |
CAK | CAZ | sing | 1.42Å | 1.41Å | Aromatic |
CAL | CAM | sing | 1.53Å | 1.46Å | |
CBA | CAZ | doub | 1.41Å | 1.38Å | Aromatic |
CBA | CAI | sing | 1.39Å | 1.43Å | Aromatic |
CAZ | CAH | sing | 1.40Å | 1.42Å | Aromatic |
CAI | CAC | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAB | doub | 1.36Å | 1.39Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
CAK | H1 | sing | 1.08Å | 1.08Å | |
CAH | H2 | sing | 1.08Å | 1.08Å | |
CAB | H3 | sing | 1.08Å | 1.08Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
CAI | H5 | sing | 1.08Å | 1.08Å | |
NAT | H6 | sing | 0.97Å | 1.00Å | |
NAR | H7 | sing | 0.97Å | 1.00Å | |
CBB | H8 | sing | 1.09Å | 1.10Å | |
CAO | H9 | sing | 1.09Å | 1.10Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
CAM | H11 | sing | 1.09Å | 1.10Å | |
CAM | H12 | sing | 1.09Å | 1.10Å | |
CAL | H13 | sing | 1.09Å | 1.10Å | |
CAL | H14 | sing | 1.09Å | 1.10Å | |
CAN | H15 | sing | 1.09Å | 1.10Å | |
CAN | H16 | sing | 1.09Å | 1.10Å | |
CAJ | H17 | sing | 1.08Å | 1.08Å | |
NAS | H18 | sing | 0.97Å | 1.00Å | |
CAF | H19 | sing | 1.08Å | 1.08Å | |
CAD | H20 | sing | 1.08Å | 1.08Å | |
CAE | H21 | sing | 1.08Å | 1.08Å | |
CAG | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAP | CAD | CAF | 120.3° | 120.9° |
CAD | NAP | CAE | 123.3° | 122.0° |
NAP | CAD | H20 | 119.9° | 119.6° |
CAD | CAF | CAV | 116.8° | 119.0° |
CAD | CAF | H19 | 121.6° | 120.5° |
CAF | CAD | H20 | 119.9° | 119.6° |
NAP | CAE | CAG | 119.9° | 120.9° |
NAP | CAE | H21 | 120.0° | 119.6° |
CAF | CAV | CAG | 122.5° | 118.2° |
CAF | CAV | CAW | 117.9° | 120.9° |
CAV | CAF | H19 | 121.6° | 120.5° |
CAE | CAG | CAV | 117.2° | 119.0° |
CAG | CAE | H21 | 120.1° | 119.5° |
CAE | CAG | H22 | 121.4° | 120.5° |
CAG | CAV | CAW | 119.6° | 120.9° |
CAV | CAG | H22 | 121.4° | 120.5° |
CAV | CAW | NAQ | 125.4° | 125.9° |
CAV | CAW | CAJ | 123.7° | 125.9° |
NAQ | CAW | CAJ | 110.9° | 108.1° |
CAW | NAQ | NAS | 107.9° | 108.3° |
CAW | CAJ | CAY | 101.8° | 107.8° |
CAW | CAJ | H17 | 129.1° | 126.1° |
NAQ | NAS | CAY | 109.6° | 108.0° |
NAQ | NAS | H18 | 125.2° | 126.0° |
NAS | CAY | CAJ | 109.8° | 107.7° |
NAS | CAY | NBC | 126.3° | 126.1° |
CAY | NAS | H18 | 125.2° | 126.0° |
CAJ | CAY | NBC | 124.0° | 126.1° |
CAY | CAJ | H17 | 129.0° | 126.1° |
CAY | NBC | CAO | 116.0° | 111.0° |
CAY | NBC | CAN | 120.1° | 111.0° |
CAO | NBC | CAN | 110.7° | 111.2° |
NBC | CAO | CBB | 107.3° | 109.5° |
NBC | CAO | H9 | 110.0° | 109.5° |
NBC | CAO | H10 | 110.0° | 109.4° |
NBC | CAN | CAL | 115.0° | 109.5° |
NBC | CAN | H15 | 108.1° | 109.5° |
NBC | CAN | H16 | 108.1° | 109.4° |
OAA | CAU | CAX | 120.9° | 120.0° |
OAA | CAU | NAR | 121.9° | 120.0° |
CAO | CBB | NAR | 107.5° | 109.5° |
CAO | CBB | CAM | 107.6° | 109.3° |
CAO | CBB | H8 | 109.3° | 109.5° |
CBB | CAO | H9 | 110.0° | 109.5° |
CBB | CAO | H10 | 110.0° | 109.5° |
CAX | CAU | NAR | 117.1° | 120.0° |
CAU | CAX | NAT | 126.7° | 125.4° |
CAU | CAX | CAK | 123.5° | 125.4° |
CAU | NAR | CBB | 122.0° | 120.0° |
CAU | NAR | H7 | 119.0° | 120.0° |
CAN | CAL | CAM | 115.4° | 109.2° |
CAN | CAL | H13 | 108.0° | 109.5° |
CAN | CAL | H14 | 108.0° | 109.6° |
CAL | CAN | H15 | 108.1° | 109.5° |
CAL | CAN | H16 | 108.0° | 109.4° |
NAR | CBB | CAM | 112.9° | 109.5° |
CBB | NAR | H7 | 119.0° | 120.0° |
NAR | CBB | H8 | 109.5° | 109.5° |
CBB | CAM | CAL | 113.1° | 109.1° |
CAM | CBB | H8 | 109.9° | 109.5° |
CBB | CAM | H11 | 108.6° | 109.5° |
CBB | CAM | H12 | 108.6° | 109.5° |
NAT | CAX | CAK | 109.8° | 109.2° |
CAX | NAT | CBA | 108.6° | 108.8° |
CAX | NAT | H6 | 125.7° | 125.7° |
CAX | CAK | CAZ | 106.3° | 107.7° |
CAX | CAK | H1 | 126.9° | 126.2° |
NAT | CBA | CAZ | 109.5° | 107.4° |
NAT | CBA | CAI | 131.5° | 133.2° |
CBA | NAT | H6 | 125.7° | 125.6° |
CAK | CAZ | CBA | 105.9° | 107.0° |
CAK | CAZ | CAH | 133.4° | 133.4° |
CAZ | CAK | H1 | 126.9° | 126.1° |
CAL | CAM | H11 | 108.5° | 109.6° |
CAL | CAM | H12 | 108.6° | 109.6° |
CAM | CAL | H13 | 108.0° | 109.5° |
CAM | CAL | H14 | 107.9° | 109.5° |
CAZ | CBA | CAI | 119.0° | 119.4° |
CBA | CAZ | CAH | 120.7° | 119.6° |
CBA | CAI | CAC | 120.3° | 119.8° |
CBA | CAI | H5 | 119.9° | 120.1° |
CAZ | CAH | CAB | 120.0° | 119.9° |
CAZ | CAH | H2 | 120.0° | 120.0° |
CAI | CAC | CAB | 120.1° | 120.7° |
CAI | CAC | H4 | 119.9° | 119.7° |
CAC | CAI | H5 | 119.8° | 120.1° |
CAH | CAB | CAC | 119.9° | 120.6° |
CAB | CAH | H2 | 120.0° | 120.1° |
CAH | CAB | H3 | 120.1° | 119.7° |
CAC | CAB | H3 | 120.0° | 119.7° |
CAB | CAC | H4 | 119.9° | 119.6° |
H9 | CAO | H10 | 109.5° | 109.5° |
H11 | CAM | H12 | 109.5° | 109.5° |
H13 | CAL | H14 | 109.5° | 109.5° |
H15 | CAN | H16 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAP | CAD | CAF | H20 | 180.0° | 180.0° |
NAP | CAD | CAF | CAV | 0.1° | 0.0° |
CAD | NAP | CAE | CAG | 1.6° | 0.0° |
NAP | CAD | CAF | H19 | 179.9° | 180.0° |
CAD | NAP | CAE | H21 | 178.4° | 180.0° |
CAF | CAD | NAP | CAE | 0.8° | 0.0° |
CAD | CAF | CAV | H19 | 180.0° | 180.0° |
CAD | CAF | CAV | CAG | 0.0° | 0.0° |
CAD | CAF | CAV | CAW | 179.2° | 179.7° |
NAP | CAE | CAG | H21 | 180.0° | 180.0° |
NAP | CAE | CAG | CAV | 1.6° | 0.0° |
CAE | NAP | CAD | H20 | 179.3° | 180.0° |
NAP | CAE | CAG | H22 | 178.4° | 179.7° |
CAF | CAV | CAG | CAE | 0.8° | 0.0° |
CAF | CAV | CAG | CAW | 179.2° | 179.7° |
CAF | CAV | CAW | NAQ | 1.0° | 179.7° |
CAF | CAV | CAW | CAJ | 179.6° | 0.3° |
CAV | CAF | CAD | H20 | 179.9° | 180.0° |
CAF | CAV | CAG | H22 | 179.2° | 179.7° |
CAE | CAG | CAV | H22 | 180.0° | 179.7° |
CAE | CAG | CAV | CAW | 180.0° | 179.7° |
CAG | CAV | CAW | NAQ | 178.3° | 0.0° |
CAG | CAV | CAW | CAJ | 0.4° | 180.0° |
CAG | CAV | CAF | H19 | 180.0° | 180.0° |
CAV | CAG | CAE | H21 | 178.4° | 180.0° |
CAV | CAW | NAQ | CAJ | 178.8° | 180.0° |
CAV | CAW | NAQ | NAS | 179.2° | 180.0° |
CAV | CAW | CAJ | CAY | 179.4° | 179.8° |
CAV | CAW | CAJ | H17 | 0.6° | 0.1° |
CAW | CAV | CAF | H19 | 0.8° | 0.3° |
CAW | CAV | CAG | H22 | 0.0° | 0.0° |
CAW | NAQ | NAS | CAY | 0.0° | 0.1° |
NAQ | CAW | CAJ | CAY | 0.6° | 0.2° |
NAQ | CAW | CAJ | H17 | 179.4° | 179.9° |
CAW | NAQ | NAS | H18 | 179.9° | 179.8° |
CAJ | CAW | NAQ | NAS | 0.4° | 0.1° |
CAW | CAJ | CAY | NAS | 0.6° | 0.3° |
CAW | CAJ | CAY | H17 | 180.0° | 179.9° |
CAW | CAJ | CAY | NBC | 179.7° | 180.0° |
NAQ | NAS | CAY | H18 | 180.0° | 179.9° |
NAQ | NAS | CAY | CAJ | 0.3° | 0.2° |
NAQ | NAS | CAY | NBC | 179.9° | 180.0° |
NAS | CAY | CAJ | NBC | 179.7° | 179.8° |
NAS | CAY | NBC | CAO | 2.7° | 0.3° |
NAS | CAY | NBC | CAN | 140.2° | 124.5° |
NAS | CAY | CAJ | H17 | 179.5° | 179.8° |
CAJ | CAY | NBC | CAO | 176.9° | 180.0° |
CAJ | CAY | NBC | CAN | 39.4° | 55.8° |
CAJ | CAY | NAS | H18 | 179.7° | 179.7° |
CAY | NBC | CAO | CAN | 141.3° | 124.1° |
CAY | NBC | CAO | CBB | 82.4° | 174.2° |
CAY | NBC | CAN | CAL | 99.7° | 174.1° |
CAY | NBC | CAO | H9 | 37.3° | 54.1° |
CAY | NBC | CAO | H10 | 158.0° | 65.9° |
CAY | NBC | CAN | H15 | 139.5° | 65.8° |
CAY | NBC | CAN | H16 | 21.1° | 54.2° |
NBC | CAY | CAJ | H17 | 0.3° | 0.0° |
NBC | CAY | NAS | H18 | 0.0° | 0.1° |
NBC | CAO | CBB | H9 | 119.7° | 120.1° |
NBC | CAO | CBB | H10 | 119.7° | 119.9° |
CAO | NBC | CAN | CAL | 39.8° | 61.8° |
NBC | CAO | CBB | NAR | 167.0° | 60.8° |
NBC | CAO | CBB | CAM | 71.0° | 59.1° |
NBC | CAO | CBB | H8 | 48.3° | 179.1° |
NBC | CAO | H9 | H10 | 121.0° | 119.9° |
CAO | NBC | CAN | H15 | 81.0° | 58.3° |
CAO | NBC | CAN | H16 | 160.6° | 178.3° |
CAN | NBC | CAO | CBB | 58.9° | 61.7° |
NBC | CAN | CAL | H15 | 120.8° | 120.1° |
NBC | CAN | CAL | H16 | 120.8° | 120.0° |
NBC | CAN | CAL | CAM | 31.3° | 59.2° |
CAN | NBC | CAO | H9 | 178.6° | 178.2° |
CAN | NBC | CAO | H10 | 60.7° | 58.2° |
NBC | CAN | CAL | H13 | 152.2° | 179.1° |
NBC | CAN | CAL | H14 | 89.5° | 60.7° |
NBC | CAN | H15 | H16 | 117.5° | 120.0° |
OAA | CAU | CAX | NAR | 177.9° | 179.9° |
OAA | CAU | NAR | CBB | 1.9° | 0.1° |
OAA | CAU | CAX | NAT | 29.4° | 179.9° |
OAA | CAU | CAX | CAK | 152.5° | 0.5° |
OAA | CAU | NAR | H7 | 178.2° | 180.0° |
CAO | CBB | NAR | CAU | 128.9° | 155.1° |
CAO | CBB | NAR | CAM | 118.6° | 119.8° |
CAO | CBB | NAR | H8 | 118.6° | 120.1° |
CAO | CBB | CAM | H8 | 118.9° | 120.0° |
CAO | CBB | CAM | CAL | 62.9° | 57.7° |
CAO | CBB | NAR | H7 | 51.1° | 24.8° |
CBB | CAO | H9 | H10 | 121.0° | 120.0° |
CAO | CBB | CAM | H11 | 176.6° | 62.3° |
CAO | CBB | CAM | H12 | 57.6° | 177.6° |
CAX | CAU | NAR | CBB | 179.8° | 180.0° |
CAU | CAX | NAT | CAK | 178.3° | 179.5° |
CAU | CAX | NAT | CBA | 178.7° | 180.0° |
CAU | CAX | CAK | CAZ | 178.5° | 180.0° |
CAU | CAX | CAK | H1 | 1.5° | 0.3° |
CAU | CAX | NAT | H6 | 1.3° | 0.2° |
CAX | CAU | NAR | H7 | 0.3° | 0.0° |
CAU | NAR | CBB | H7 | 180.0° | 179.9° |
CAU | NAR | CBB | CAM | 112.5° | 85.0° |
NAR | CAU | CAX | NAT | 148.6° | 0.0° |
NAR | CAU | CAX | CAK | 29.6° | 179.4° |
CAU | NAR | CBB | H8 | 10.3° | 35.0° |
CAN | CAL | CAM | CBB | 43.1° | 57.7° |
CAN | CAL | CAM | H13 | 120.9° | 119.9° |
CAN | CAL | CAM | H14 | 120.9° | 120.0° |
CAN | CAL | CAM | H11 | 163.6° | 62.2° |
CAN | CAL | CAM | H12 | 77.5° | 177.6° |
CAN | CAL | H13 | H14 | 117.3° | 120.2° |
CAL | CAN | H15 | H16 | 117.5° | 120.0° |
NAR | CBB | CAM | H8 | 122.6° | 120.1° |
NAR | CBB | CAM | CAL | 178.6° | 62.2° |
NAR | CBB | CAO | H9 | 47.4° | 59.3° |
NAR | CBB | CAO | H10 | 73.3° | 179.3° |
NAR | CBB | CAM | H11 | 58.0° | 177.8° |
NAR | CBB | CAM | H12 | 60.9° | 57.7° |
CBB | CAM | CAL | H11 | 120.5° | 119.9° |
CBB | CAM | CAL | H12 | 120.6° | 119.9° |
CAM | CBB | NAR | H7 | 67.5° | 95.0° |
CAM | CBB | CAO | H9 | 169.3° | 179.2° |
CAM | CBB | CAO | H10 | 48.6° | 60.8° |
CBB | CAM | H11 | H12 | 118.4° | 120.1° |
CBB | CAM | CAL | H13 | 163.9° | 177.6° |
CBB | CAM | CAL | H14 | 77.8° | 62.3° |
CAX | NAT | CBA | H6 | 180.0° | 179.8° |
NAT | CAX | CAK | CAZ | 0.1° | 0.4° |
CAX | NAT | CBA | CAZ | 0.4° | 0.3° |
CAX | NAT | CBA | CAI | 179.7° | 179.8° |
NAT | CAX | CAK | H1 | 179.9° | 179.8° |
CAK | CAX | NAT | CBA | 0.3° | 0.5° |
CAX | CAK | CAZ | H1 | 180.0° | 179.8° |
CAX | CAK | CAZ | CBA | 0.1° | 0.2° |
CAX | CAK | CAZ | CAH | 180.0° | 179.7° |
CAK | CAX | NAT | H6 | 179.7° | 179.7° |
NAT | CBA | CAZ | CAK | 0.3° | 0.0° |
NAT | CBA | CAZ | CAI | 179.9° | 179.9° |
NAT | CBA | CAZ | CAH | 179.8° | 180.0° |
NAT | CBA | CAI | CAC | 180.0° | 180.0° |
NAT | CBA | CAI | H5 | 0.0° | 0.0° |
CAK | CAZ | CBA | CAH | 179.9° | 179.9° |
CAK | CAZ | CBA | CAI | 179.8° | 180.0° |
CAK | CAZ | CAH | CAB | 179.6° | 179.9° |
CAK | CAZ | CAH | H2 | 0.4° | 0.1° |
CAL | CAM | CBB | H8 | 56.0° | 177.6° |
CAL | CAM | H11 | H12 | 118.3° | 120.2° |
CAM | CAL | H13 | H14 | 117.3° | 120.1° |
CAM | CAL | CAN | H15 | 89.5° | 60.8° |
CAM | CAL | CAN | H16 | 152.1° | 179.2° |
CAZ | CBA | CAI | CAC | 0.1° | 0.0° |
CBA | CAZ | CAH | CAB | 0.2° | 0.1° |
CBA | CAZ | CAK | H1 | 179.9° | 180.0° |
CBA | CAZ | CAH | H2 | 179.8° | 180.0° |
CAZ | CBA | CAI | H5 | 179.8° | 179.9° |
CAZ | CBA | NAT | H6 | 179.6° | 179.9° |
CAI | CBA | CAZ | CAH | 0.1° | 0.1° |
CBA | CAI | CAC | H5 | 180.0° | 179.9° |
CBA | CAI | CAC | CAB | 0.3° | 0.1° |
CBA | CAI | CAC | H4 | 179.7° | 180.0° |
CAI | CBA | NAT | H6 | 0.3° | 0.0° |
CAZ | CAH | CAB | H2 | 180.0° | 179.9° |
CAZ | CAH | CAB | CAC | 0.1° | 0.0° |
CAH | CAZ | CAK | H1 | 0.0° | 0.1° |
CAZ | CAH | CAB | H3 | 179.9° | 179.9° |
CAI | CAC | CAB | CAH | 0.2° | 0.1° |
CAI | CAC | CAB | H4 | 180.0° | 179.9° |
CAI | CAC | CAB | H3 | 179.8° | 180.0° |
CAH | CAB | CAC | H3 | 180.0° | 179.9° |
CAH | CAB | CAC | H4 | 179.8° | 180.0° |
CAC | CAB | CAH | H2 | 179.9° | 179.9° |
CAB | CAC | CAI | H5 | 179.7° | 180.0° |
H2 | CAH | CAB | H3 | 0.1° | 0.0° |
H3 | CAB | CAC | H4 | 0.2° | 0.1° |
H4 | CAC | CAI | H5 | 0.3° | 0.1° |
H7 | NAR | CBB | H8 | 169.7° | 144.9° |
H8 | CBB | CAO | H9 | 71.4° | 60.8° |
H8 | CBB | CAO | H10 | 167.9° | 59.2° |
H8 | CBB | CAM | H11 | 64.5° | 57.7° |
H8 | CBB | CAM | H12 | 176.5° | 62.4° |
H11 | CAM | CAL | H13 | 75.5° | 57.6° |
H11 | CAM | CAL | H14 | 42.7° | 177.8° |
H12 | CAM | CAL | H13 | 43.4° | 62.5° |
H12 | CAM | CAL | H14 | 161.6° | 57.6° |
H13 | CAL | CAN | H15 | 31.4° | 59.0° |
H13 | CAL | CAN | H16 | 87.0° | 60.9° |
H14 | CAL | CAN | H15 | 149.6° | 179.2° |
H14 | CAL | CAN | H16 | 31.3° | 59.2° |
H19 | CAF | CAD | H20 | 0.1° | 0.0° |
H21 | CAE | CAG | H22 | 1.6° | 0.3° |