5X0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAX | sing | 1.39Å | 1.41Å | Aromatic |
| CAX | NAR | sing | 1.40Å | 1.34Å | |
| OAB | CAV | doub | 1.21Å | 1.23Å | |
| NAR | CAV | sing | 1.35Å | 1.35Å | |
| CAV | CAP | sing | 1.51Å | 1.54Å | |
| CAP | OAT | sing | 1.43Å | 1.44Å | |
| OAT | CAY | sing | 1.36Å | 1.37Å | |
| CAY | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CBA | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| OAC | CAW | doub | 1.22Å | 1.23Å | |
| CBA | CAW | sing | 1.48Å | 1.43Å | |
| CBA | CAZ | doub | 1.40Å | 1.43Å | Aromatic |
| CAW | NAQ | sing | 1.35Å | 1.34Å | |
| CAJ | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | OAU | sing | 1.36Å | 1.40Å | |
| NAQ | CAA | sing | 1.46Å | 1.47Å | |
| OAU | CBB | sing | 1.43Å | 1.50Å | |
| CAO | CBB | sing | 1.53Å | 1.51Å | |
| CAO | CAM | sing | 1.53Å | 1.51Å | |
| CBB | CAN | sing | 1.53Å | 1.55Å | |
| CAM | OAS | sing | 1.43Å | 1.42Å | |
| CAN | CAL | sing | 1.53Å | 1.50Å | |
| OAS | CAL | sing | 1.43Å | 1.44Å | |
| CAN | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CBB | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CAP | H18 | sing | 1.09Å | 1.10Å | |
| NAR | H19 | sing | 0.97Å | 1.00Å | |
| CAG | H20 | sing | 1.08Å | 1.08Å | |
| CAE | H21 | sing | 1.08Å | 1.08Å | |
| CAD | H22 | sing | 1.08Å | 1.08Å | |
| CAF | H23 | sing | 1.08Å | 1.08Å | |
| CAH | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAD | CAF | 120.2° | 120.2° |
| CAD | CAE | CAG | 120.4° | 120.0° |
| CAD | CAE | H21 | 119.8° | 120.0° |
| CAE | CAD | H22 | 119.9° | 119.9° |
| CAD | CAF | CAH | 119.4° | 120.1° |
| CAF | CAD | H22 | 119.9° | 119.9° |
| CAD | CAF | H23 | 120.3° | 120.0° |
| CAE | CAG | CAX | 119.5° | 119.9° |
| CAE | CAG | H20 | 120.3° | 120.0° |
| CAG | CAE | H21 | 119.8° | 120.0° |
| CAF | CAH | CAX | 120.7° | 119.9° |
| CAH | CAF | H23 | 120.3° | 119.9° |
| CAF | CAH | H24 | 119.6° | 120.1° |
| CAG | CAX | CAH | 119.8° | 119.9° |
| CAG | CAX | NAR | 120.8° | 120.1° |
| CAX | CAG | H20 | 120.3° | 120.0° |
| CAH | CAX | NAR | 119.4° | 120.1° |
| CAX | CAH | H24 | 119.7° | 120.0° |
| CAX | NAR | CAV | 120.7° | 120.0° |
| CAX | NAR | H19 | 119.7° | 120.0° |
| OAB | CAV | NAR | 125.3° | 120.0° |
| OAB | CAV | CAP | 120.5° | 120.0° |
| NAR | CAV | CAP | 114.2° | 120.0° |
| CAV | NAR | H19 | 119.7° | 120.0° |
| CAV | CAP | OAT | 109.1° | 109.5° |
| CAV | CAP | H17 | 109.6° | 109.5° |
| CAV | CAP | H18 | 109.6° | 109.5° |
| CAP | OAT | CAY | 121.4° | 117.0° |
| OAT | CAP | H17 | 109.6° | 109.5° |
| OAT | CAP | H18 | 109.5° | 109.5° |
| OAT | CAY | CAK | 116.9° | 119.9° |
| OAT | CAY | CAI | 124.2° | 119.9° |
| CAK | CAY | CAI | 118.9° | 120.2° |
| CAY | CAK | CBA | 123.4° | 119.8° |
| CAY | CAK | H10 | 118.3° | 120.1° |
| CAY | CAI | CAJ | 119.6° | 120.3° |
| CAY | CAI | H16 | 120.2° | 119.9° |
| CAK | CBA | CAW | 116.8° | 120.1° |
| CAK | CBA | CAZ | 117.1° | 119.6° |
| CBA | CAK | H10 | 118.3° | 120.1° |
| CAI | CAJ | CAZ | 121.7° | 120.2° |
| CAI | CAJ | H15 | 119.1° | 119.9° |
| CAJ | CAI | H16 | 120.2° | 119.8° |
| OAC | CAW | CBA | 120.2° | 119.9° |
| OAC | CAW | NAQ | 121.4° | 120.0° |
| CAW | CBA | CAZ | 126.2° | 120.2° |
| CBA | CAW | NAQ | 118.4° | 120.0° |
| CBA | CAZ | CAJ | 119.3° | 119.8° |
| CBA | CAZ | OAU | 118.7° | 120.0° |
| CAW | NAQ | CAA | 118.6° | 120.0° |
| CAW | NAQ | H11 | 120.7° | 120.0° |
| CAJ | CAZ | OAU | 121.9° | 120.1° |
| CAZ | CAJ | H15 | 119.1° | 119.9° |
| CAZ | OAU | CBB | 123.8° | 117.0° |
| CAA | NAQ | H11 | 120.7° | 120.0° |
| NAQ | CAA | H12 | 109.5° | 109.5° |
| NAQ | CAA | H13 | 109.5° | 109.5° |
| NAQ | CAA | H14 | 109.5° | 109.5° |
| OAU | CBB | CAO | 113.0° | 109.5° |
| OAU | CBB | CAN | 107.9° | 109.5° |
| OAU | CBB | H9 | 108.8° | 109.6° |
| CBB | CAO | CAM | 111.9° | 109.2° |
| CAO | CBB | CAN | 110.2° | 109.1° |
| CBB | CAO | H7 | 108.8° | 109.5° |
| CBB | CAO | H8 | 108.9° | 109.5° |
| CAO | CBB | H9 | 108.6° | 109.5° |
| CAO | CAM | OAS | 110.4° | 109.4° |
| CAO | CAM | H5 | 109.2° | 109.4° |
| CAO | CAM | H6 | 109.2° | 109.5° |
| CAM | CAO | H7 | 108.9° | 109.5° |
| CAM | CAO | H8 | 108.9° | 109.6° |
| CBB | CAN | CAL | 111.2° | 109.1° |
| CBB | CAN | H1 | 109.0° | 109.6° |
| CBB | CAN | H2 | 109.0° | 109.6° |
| CAN | CBB | H9 | 108.2° | 109.6° |
| CAM | OAS | CAL | 110.3° | 114.1° |
| OAS | CAM | H5 | 109.3° | 109.5° |
| OAS | CAM | H6 | 109.3° | 109.5° |
| CAN | CAL | OAS | 109.7° | 109.4° |
| CAL | CAN | H1 | 109.0° | 109.5° |
| CAL | CAN | H2 | 109.1° | 109.5° |
| CAN | CAL | H3 | 109.4° | 109.5° |
| CAN | CAL | H4 | 109.4° | 109.5° |
| OAS | CAL | H3 | 109.4° | 109.4° |
| OAS | CAL | H4 | 109.4° | 109.5° |
| H1 | CAN | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.4° | 109.5° |
| H7 | CAO | H8 | 109.5° | 109.5° |
| H12 | CAA | H13 | 109.5° | 109.5° |
| H12 | CAA | H14 | 109.4° | 109.4° |
| H13 | CAA | H14 | 109.5° | 109.5° |
| H17 | CAP | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAD | CAF | H22 | 180.0° | 180.0° |
| CAD | CAE | CAG | H21 | 180.0° | 179.9° |
| CAE | CAD | CAF | CAH | 0.2° | 0.3° |
| CAD | CAE | CAG | CAX | 0.4° | 0.0° |
| CAD | CAE | CAG | H20 | 179.6° | 180.0° |
| CAE | CAD | CAF | H23 | 179.8° | 179.9° |
| CAF | CAD | CAE | CAG | 0.2° | 0.0° |
| CAD | CAF | CAH | H23 | 180.0° | 179.8° |
| CAD | CAF | CAH | CAX | 0.4° | 0.6° |
| CAF | CAD | CAE | H21 | 179.8° | 179.9° |
| CAD | CAF | CAH | H24 | 179.6° | 179.9° |
| CAE | CAG | CAX | H20 | 180.0° | 180.0° |
| CAE | CAG | CAX | CAH | 1.1° | 0.3° |
| CAE | CAG | CAX | NAR | 178.7° | 180.0° |
| CAG | CAE | CAD | H22 | 179.8° | 180.0° |
| CAF | CAH | CAX | CAG | 1.1° | 0.6° |
| CAF | CAH | CAX | H24 | 180.0° | 179.4° |
| CAF | CAH | CAX | NAR | 178.8° | 179.7° |
| CAH | CAF | CAD | H22 | 179.8° | 179.7° |
| CAG | CAX | CAH | NAR | 177.7° | 179.7° |
| CAG | CAX | NAR | CAV | 73.0° | 33.3° |
| CAG | CAX | NAR | H19 | 107.0° | 146.8° |
| CAX | CAG | CAE | H21 | 179.5° | 180.0° |
| CAG | CAX | CAH | H24 | 178.9° | 180.0° |
| CAH | CAX | NAR | CAV | 109.4° | 147.0° |
| CAH | CAX | NAR | H19 | 70.6° | 32.9° |
| CAH | CAX | CAG | H20 | 178.9° | 179.7° |
| CAX | CAH | CAF | H23 | 179.6° | 179.6° |
| CAX | NAR | CAV | OAB | 1.1° | 5.1° |
| CAX | NAR | CAV | H19 | 180.0° | 180.0° |
| CAX | NAR | CAV | CAP | 178.7° | 175.0° |
| NAR | CAX | CAG | H20 | 1.3° | 0.0° |
| NAR | CAX | CAH | H24 | 1.3° | 0.3° |
| OAB | CAV | NAR | CAP | 179.8° | 179.9° |
| OAB | CAV | CAP | OAT | 174.2° | 0.0° |
| OAB | CAV | CAP | H17 | 54.3° | 120.0° |
| OAB | CAV | CAP | H18 | 65.9° | 119.9° |
| OAB | CAV | NAR | H19 | 178.9° | 174.9° |
| NAR | CAV | CAP | OAT | 6.0° | 180.0° |
| NAR | CAV | CAP | H17 | 125.9° | 60.0° |
| NAR | CAV | CAP | H18 | 114.0° | 60.0° |
| CAV | CAP | OAT | H17 | 119.9° | 120.0° |
| CAV | CAP | OAT | H18 | 120.0° | 120.0° |
| CAV | CAP | OAT | CAY | 169.6° | 180.0° |
| CAV | CAP | H17 | H18 | 120.2° | 120.0° |
| CAP | CAV | NAR | H19 | 1.3° | 5.1° |
| CAP | OAT | CAY | CAK | 157.5° | 180.0° |
| CAP | OAT | CAY | CAI | 24.5° | 0.3° |
| OAT | CAP | H17 | H18 | 120.2° | 120.0° |
| OAT | CAY | CAK | CAI | 178.1° | 179.7° |
| OAT | CAY | CAK | CBA | 178.7° | 180.0° |
| OAT | CAY | CAI | CAJ | 179.2° | 180.0° |
| OAT | CAY | CAK | H10 | 1.3° | 0.0° |
| OAT | CAY | CAI | H16 | 0.8° | 0.0° |
| CAY | OAT | CAP | H17 | 70.4° | 60.0° |
| CAY | OAT | CAP | H18 | 49.7° | 60.0° |
| CAY | CAK | CBA | H10 | 180.0° | 180.0° |
| CAK | CAY | CAI | CAJ | 1.1° | 0.3° |
| CAY | CAK | CBA | CAW | 179.5° | 180.0° |
| CAY | CAK | CBA | CAZ | 0.4° | 0.0° |
| CAK | CAY | CAI | H16 | 178.8° | 179.7° |
| CAI | CAY | CAK | CBA | 0.5° | 0.3° |
| CAY | CAI | CAJ | H16 | 180.0° | 180.0° |
| CAY | CAI | CAJ | CAZ | 1.8° | 0.0° |
| CAI | CAY | CAK | H10 | 179.5° | 179.7° |
| CAY | CAI | CAJ | H15 | 178.2° | 180.0° |
| CAK | CBA | CAW | OAC | 22.3° | 180.0° |
| CAK | CBA | CAW | CAZ | 179.9° | 180.0° |
| CAK | CBA | CAW | NAQ | 155.6° | 0.0° |
| CAK | CBA | CAZ | CAJ | 1.0° | 0.3° |
| CAK | CBA | CAZ | OAU | 178.4° | 180.0° |
| CAI | CAJ | CAZ | CBA | 1.7° | 0.3° |
| CAI | CAJ | CAZ | H15 | 180.0° | 180.0° |
| CAI | CAJ | CAZ | OAU | 179.0° | 180.0° |
| OAC | CAW | CBA | NAQ | 177.9° | 180.0° |
| OAC | CAW | CBA | CAZ | 157.5° | 0.0° |
| OAC | CAW | NAQ | CAA | 2.9° | 0.0° |
| OAC | CAW | NAQ | H11 | 177.1° | 180.0° |
| CAW | CBA | CAZ | CAJ | 178.9° | 179.7° |
| CAW | CBA | CAZ | OAU | 1.5° | 0.0° |
| CBA | CAW | NAQ | CAA | 179.2° | 180.0° |
| CAW | CBA | CAK | H10 | 0.5° | 0.0° |
| CBA | CAW | NAQ | H11 | 0.8° | 0.0° |
| CAZ | CBA | CAW | NAQ | 24.6° | 180.0° |
| CBA | CAZ | CAJ | OAU | 177.3° | 179.8° |
| CBA | CAZ | OAU | CBB | 113.0° | 174.1° |
| CAZ | CBA | CAK | H10 | 179.6° | 180.0° |
| CBA | CAZ | CAJ | H15 | 178.3° | 179.7° |
| CAW | NAQ | CAA | H11 | 180.0° | 180.0° |
| CAW | NAQ | CAA | H12 | 180.0° | 60.0° |
| CAW | NAQ | CAA | H13 | 60.0° | 60.0° |
| CAW | NAQ | CAA | H14 | 60.0° | 180.0° |
| CAJ | CAZ | OAU | CBB | 69.7° | 5.7° |
| CAZ | CAJ | CAI | H16 | 178.2° | 180.0° |
| CAZ | OAU | CBB | CAO | 39.5° | 155.1° |
| CAZ | OAU | CBB | CAN | 161.5° | 85.3° |
| CAZ | OAU | CBB | H9 | 81.3° | 35.0° |
| OAU | CAZ | CAJ | H15 | 1.0° | 0.0° |
| NAQ | CAA | H12 | H13 | 120.0° | 120.0° |
| NAQ | CAA | H12 | H14 | 120.0° | 120.0° |
| NAQ | CAA | H13 | H14 | 120.0° | 120.1° |
| OAU | CBB | CAO | CAN | 120.8° | 119.9° |
| OAU | CBB | CAO | H9 | 120.8° | 120.2° |
| OAU | CBB | CAO | CAM | 172.5° | 176.8° |
| OAU | CBB | CAN | H9 | 117.6° | 120.3° |
| OAU | CBB | CAN | CAL | 166.4° | 176.8° |
| OAU | CBB | CAN | H1 | 46.1° | 63.2° |
| OAU | CBB | CAN | H2 | 73.4° | 56.9° |
| OAU | CBB | CAO | H7 | 67.1° | 56.9° |
| OAU | CBB | CAO | H8 | 52.2° | 63.2° |
| CBB | CAO | CAM | H7 | 120.3° | 119.8° |
| CBB | CAO | CAM | H8 | 120.4° | 120.0° |
| CAO | CBB | CAN | H9 | 118.6° | 119.8° |
| CBB | CAO | CAM | OAS | 1.9° | 57.6° |
| CAO | CBB | CAN | CAL | 42.6° | 56.9° |
| CAO | CBB | CAN | H1 | 77.7° | 176.9° |
| CAO | CBB | CAN | H2 | 162.8° | 63.0° |
| CBB | CAO | CAM | H5 | 118.3° | 177.5° |
| CBB | CAO | CAM | H6 | 122.1° | 62.4° |
| CBB | CAO | H7 | H8 | 118.9° | 120.1° |
| CAM | CAO | CBB | CAN | 51.8° | 56.9° |
| CAO | CAM | OAS | H5 | 120.1° | 120.0° |
| CAO | CAM | OAS | H6 | 120.1° | 120.0° |
| CAO | CAM | OAS | CAL | 60.0° | 61.2° |
| CAO | CAM | H5 | H6 | 119.6° | 120.0° |
| CAM | CAO | H7 | H8 | 118.9° | 120.2° |
| CAM | CAO | CBB | H9 | 66.6° | 62.9° |
| CBB | CAN | CAL | H1 | 120.3° | 120.0° |
| CBB | CAN | CAL | H2 | 120.3° | 119.9° |
| CBB | CAN | CAL | OAS | 14.5° | 57.6° |
| CBB | CAN | H1 | H2 | 119.2° | 120.2° |
| CBB | CAN | CAL | H3 | 105.5° | 177.5° |
| CBB | CAN | CAL | H4 | 134.6° | 62.4° |
| CAN | CBB | CAO | H7 | 172.1° | 63.0° |
| CAN | CBB | CAO | H8 | 68.6° | 176.9° |
| CAM | OAS | CAL | CAN | 69.6° | 61.2° |
| CAM | OAS | CAL | H3 | 50.5° | 178.8° |
| CAM | OAS | CAL | H4 | 170.4° | 58.8° |
| OAS | CAM | H5 | H6 | 119.6° | 120.1° |
| OAS | CAM | CAO | H7 | 122.3° | 62.3° |
| OAS | CAM | CAO | H8 | 118.5° | 177.5° |
| CAN | CAL | OAS | H3 | 120.0° | 120.0° |
| CAN | CAL | OAS | H4 | 120.0° | 120.0° |
| CAL | CAN | H1 | H2 | 119.2° | 120.1° |
| CAN | CAL | H3 | H4 | 119.9° | 120.1° |
| CAL | CAN | CBB | H9 | 76.1° | 62.9° |
| OAS | CAL | CAN | H1 | 134.8° | 177.6° |
| OAS | CAL | CAN | H2 | 105.8° | 62.3° |
| OAS | CAL | H3 | H4 | 119.9° | 120.0° |
| CAL | OAS | CAM | H5 | 179.8° | 178.9° |
| CAL | OAS | CAM | H6 | 60.1° | 58.8° |
| H1 | CAN | CAL | H3 | 14.7° | 62.5° |
| H1 | CAN | CAL | H4 | 105.2° | 57.6° |
| H1 | CAN | CBB | H9 | 163.7° | 57.0° |
| H2 | CAN | CAL | H3 | 134.2° | 57.6° |
| H2 | CAN | CAL | H4 | 14.3° | 177.7° |
| H2 | CAN | CBB | H9 | 44.2° | 177.2° |
| H5 | CAM | CAO | H7 | 2.1° | 57.7° |
| H5 | CAM | CAO | H8 | 121.4° | 62.5° |
| H6 | CAM | CAO | H7 | 117.6° | 177.7° |
| H6 | CAM | CAO | H8 | 1.7° | 57.5° |
| H7 | CAO | CBB | H9 | 53.7° | 177.2° |
| H8 | CAO | CBB | H9 | 173.0° | 57.0° |
| H11 | NAQ | CAA | H12 | 0.0° | 120.0° |
| H11 | NAQ | CAA | H13 | 120.0° | 120.0° |
| H11 | NAQ | CAA | H14 | 120.0° | 0.1° |
| H12 | CAA | H13 | H14 | 119.9° | 119.9° |
| H15 | CAJ | CAI | H16 | 1.8° | 0.0° |
| H20 | CAG | CAE | H21 | 0.5° | 0.0° |
| H21 | CAE | CAD | H22 | 0.2° | 0.0° |
| H22 | CAD | CAF | H23 | 0.2° | 0.1° |
| H23 | CAF | CAH | H24 | 0.4° | 0.2° |
