0P4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | CAS | sing | 1.74Å | 1.74Å | |
| CAS | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CL1 | sing | 1.74Å | 1.75Å | |
| CAR | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAM | sing | 1.51Å | 1.54Å | |
| CAM | NAO | sing | 1.47Å | 1.46Å | |
| NAO | CAK | sing | 1.47Å | 1.47Å | |
| CAK | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | CAL | sing | 1.53Å | 1.53Å | |
| CAL | NAP | sing | 1.47Å | 1.46Å | |
| NAP | CAU | sing | 1.38Å | 1.31Å | |
| CAU | NAQ | sing | 1.36Å | 1.32Å | Aromatic |
| CAU | NAN | doub | 1.31Å | 1.32Å | Aromatic |
| NAQ | CAW | sing | 1.39Å | 1.33Å | Aromatic |
| NAN | CAV | sing | 1.36Å | 1.33Å | Aromatic |
| CAW | CAV | doub | 1.40Å | 1.39Å | Aromatic |
| CAW | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| NAO | H6 | sing | 1.01Å | 1.00Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| NAP | H14 | sing | 0.97Å | 1.00Å | |
| NAQ | H15 | sing | 0.97Å | 1.00Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å | |
| CAD | H17 | sing | 1.08Å | 1.08Å | |
| CAC | H18 | sing | 1.08Å | 1.08Å | |
| CAE | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | CAS | CAG | 120.7° | 120.0° |
| CL2 | CAS | CAI | 119.2° | 120.0° |
| CAG | CAS | CAI | 120.1° | 120.0° |
| CAS | CAG | CAR | 120.6° | 120.0° |
| CAS | CAG | H2 | 119.7° | 120.0° |
| CAS | CAI | CAT | 120.0° | 120.0° |
| CAS | CAI | H3 | 120.0° | 120.0° |
| CAG | CAR | CL1 | 119.8° | 120.0° |
| CAG | CAR | CAH | 118.8° | 120.0° |
| CAR | CAG | H2 | 119.7° | 120.0° |
| CAI | CAT | CAH | 120.1° | 120.0° |
| CAI | CAT | CAM | 118.8° | 120.0° |
| CAT | CAI | H3 | 120.0° | 120.0° |
| CL1 | CAR | CAH | 121.5° | 120.0° |
| CAR | CAH | CAT | 120.4° | 120.0° |
| CAR | CAH | H1 | 119.8° | 120.0° |
| CAH | CAT | CAM | 121.2° | 120.0° |
| CAT | CAH | H1 | 119.8° | 120.0° |
| CAT | CAM | NAO | 108.0° | 109.5° |
| CAT | CAM | H4 | 109.9° | 109.5° |
| CAT | CAM | H5 | 109.8° | 109.5° |
| CAM | NAO | CAK | 104.5° | 111.0° |
| NAO | CAM | H4 | 109.9° | 109.5° |
| NAO | CAM | H5 | 109.8° | 109.5° |
| CAM | NAO | H6 | 110.7° | 111.0° |
| NAO | CAK | CAJ | 109.8° | 109.5° |
| CAK | NAO | H6 | 110.7° | 111.0° |
| NAO | CAK | H8 | 109.4° | 109.5° |
| NAO | CAK | H9 | 109.4° | 109.5° |
| CAK | CAJ | CAL | 112.3° | 109.5° |
| CAJ | CAK | H8 | 109.4° | 109.5° |
| CAJ | CAK | H9 | 109.4° | 109.5° |
| CAK | CAJ | H10 | 108.7° | 109.5° |
| CAK | CAJ | H11 | 108.8° | 109.5° |
| CAJ | CAL | NAP | 109.6° | 109.5° |
| CAL | CAJ | H10 | 108.8° | 109.5° |
| CAL | CAJ | H11 | 108.8° | 109.5° |
| CAJ | CAL | H12 | 109.5° | 109.5° |
| CAJ | CAL | H13 | 109.4° | 109.5° |
| CAL | NAP | CAU | 121.3° | 120.0° |
| NAP | CAL | H12 | 109.4° | 109.5° |
| NAP | CAL | H13 | 109.4° | 109.5° |
| CAL | NAP | H14 | 106.4° | 120.0° |
| NAP | CAU | NAQ | 124.4° | 125.1° |
| NAP | CAU | NAN | 124.1° | 125.0° |
| CAU | NAP | H14 | 106.4° | 120.0° |
| NAQ | CAU | NAN | 111.5° | 109.9° |
| CAU | NAQ | CAW | 106.8° | 107.3° |
| CAU | NAQ | H15 | 126.6° | 126.4° |
| CAU | NAN | CAV | 107.1° | 109.6° |
| NAQ | CAW | CAV | 107.3° | 106.1° |
| NAQ | CAW | CAF | 132.8° | 133.9° |
| CAW | NAQ | H15 | 126.6° | 126.4° |
| NAN | CAV | CAW | 107.4° | 107.1° |
| NAN | CAV | CAE | 132.7° | 133.4° |
| CAV | CAW | CAF | 119.9° | 119.9° |
| CAW | CAV | CAE | 120.0° | 119.5° |
| CAW | CAF | CAD | 120.3° | 119.9° |
| CAW | CAF | H16 | 119.9° | 120.0° |
| CAV | CAE | CAC | 120.0° | 119.8° |
| CAV | CAE | H19 | 120.0° | 120.1° |
| CAF | CAD | CAC | 119.6° | 120.4° |
| CAD | CAF | H16 | 119.8° | 120.1° |
| CAF | CAD | H17 | 120.2° | 119.8° |
| CAE | CAC | CAD | 120.3° | 120.5° |
| CAE | CAC | H18 | 119.9° | 119.8° |
| CAC | CAE | H19 | 120.0° | 120.1° |
| CAC | CAD | H17 | 120.2° | 119.8° |
| CAD | CAC | H18 | 119.8° | 119.7° |
| H4 | CAM | H5 | 109.5° | 109.4° |
| H8 | CAK | H9 | 109.5° | 109.5° |
| H10 | CAJ | H11 | 109.5° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | CAS | CAG | CAI | 179.8° | 180.0° |
| CL2 | CAS | CAG | CAR | 179.8° | 180.0° |
| CL2 | CAS | CAI | CAT | 179.4° | 179.7° |
| CL2 | CAS | CAG | H2 | 0.2° | 0.1° |
| CL2 | CAS | CAI | H3 | 0.6° | 0.0° |
| CAS | CAG | CAR | H2 | 180.0° | 179.9° |
| CAG | CAS | CAI | CAT | 0.4° | 0.3° |
| CAS | CAG | CAR | CL1 | 179.8° | 180.0° |
| CAS | CAG | CAR | CAH | 0.1° | 0.0° |
| CAG | CAS | CAI | H3 | 179.6° | 180.0° |
| CAI | CAS | CAG | CAR | 0.0° | 0.0° |
| CAS | CAI | CAT | H3 | 180.0° | 179.7° |
| CAS | CAI | CAT | CAH | 0.8° | 0.5° |
| CAS | CAI | CAT | CAM | 179.6° | 179.9° |
| CAI | CAS | CAG | H2 | 180.0° | 179.9° |
| CAG | CAR | CL1 | CAH | 179.7° | 180.0° |
| CAG | CAR | CAH | CAT | 0.6° | 0.2° |
| CAG | CAR | CAH | H1 | 179.5° | 180.0° |
| CAI | CAT | CAH | CAR | 0.9° | 0.5° |
| CAI | CAT | CAH | CAM | 179.5° | 179.6° |
| CAI | CAT | CAM | NAO | 97.5° | 90.0° |
| CAI | CAT | CAH | H1 | 179.1° | 179.7° |
| CAI | CAT | CAM | H4 | 22.3° | 150.0° |
| CAI | CAT | CAM | H5 | 142.8° | 30.0° |
| CL1 | CAR | CAH | CAT | 179.7° | 179.8° |
| CL1 | CAR | CAH | H1 | 0.3° | 0.0° |
| CL1 | CAR | CAG | H2 | 0.2° | 0.1° |
| CAR | CAH | CAT | H1 | 180.0° | 179.8° |
| CAR | CAH | CAT | CAM | 179.5° | 180.0° |
| CAH | CAR | CAG | H2 | 179.9° | 180.0° |
| CAH | CAT | CAM | NAO | 82.0° | 90.4° |
| CAH | CAT | CAI | H3 | 179.2° | 179.8° |
| CAH | CAT | CAM | H4 | 158.2° | 29.5° |
| CAH | CAT | CAM | H5 | 37.7° | 149.5° |
| CAT | CAM | NAO | H4 | 119.8° | 120.0° |
| CAT | CAM | NAO | H5 | 119.8° | 120.0° |
| CAT | CAM | NAO | CAK | 99.3° | 180.0° |
| CAM | CAT | CAH | H1 | 0.5° | 0.2° |
| CAM | CAT | CAI | H3 | 0.4° | 0.2° |
| CAT | CAM | H4 | H5 | 120.7° | 120.0° |
| CAT | CAM | NAO | H6 | 141.5° | 56.0° |
| CAM | NAO | CAK | H6 | 119.2° | 124.0° |
| CAM | NAO | CAK | CAJ | 172.3° | 180.0° |
| NAO | CAM | H4 | H5 | 120.7° | 120.0° |
| CAM | NAO | CAK | H8 | 67.7° | 60.0° |
| CAM | NAO | CAK | H9 | 52.2° | 60.0° |
| NAO | CAK | CAJ | H8 | 120.1° | 120.0° |
| NAO | CAK | CAJ | H9 | 120.0° | 120.0° |
| NAO | CAK | CAJ | CAL | 140.5° | 180.0° |
| CAK | NAO | CAM | H4 | 20.5° | 60.0° |
| CAK | NAO | CAM | H5 | 141.0° | 60.0° |
| NAO | CAK | H8 | H9 | 119.8° | 120.0° |
| NAO | CAK | CAJ | H10 | 99.0° | 60.0° |
| NAO | CAK | CAJ | H11 | 20.1° | 60.0° |
| CAK | CAJ | CAL | H10 | 120.4° | 120.0° |
| CAK | CAJ | CAL | H11 | 120.4° | 120.0° |
| CAK | CAJ | CAL | NAP | 95.0° | 180.0° |
| CAJ | CAK | NAO | H6 | 53.1° | 56.1° |
| CAJ | CAK | H8 | H9 | 119.8° | 120.0° |
| CAK | CAJ | H10 | H11 | 118.7° | 120.0° |
| CAK | CAJ | CAL | H12 | 25.0° | 60.0° |
| CAK | CAJ | CAL | H13 | 145.0° | 60.0° |
| CAJ | CAL | NAP | H12 | 120.0° | 120.0° |
| CAJ | CAL | NAP | H13 | 120.0° | 120.0° |
| CAJ | CAL | NAP | CAU | 179.5° | 180.0° |
| CAL | CAJ | CAK | H8 | 20.5° | 60.0° |
| CAL | CAJ | CAK | H9 | 99.4° | 60.0° |
| CAL | CAJ | H10 | H11 | 118.7° | 120.0° |
| CAJ | CAL | H12 | H13 | 120.0° | 120.0° |
| CAJ | CAL | NAP | H14 | 57.9° | 0.0° |
| CAL | NAP | CAU | H14 | 121.6° | 180.0° |
| CAL | NAP | CAU | NAQ | 10.6° | 0.0° |
| CAL | NAP | CAU | NAN | 168.7° | 179.7° |
| NAP | CAL | CAJ | H10 | 144.6° | 60.0° |
| NAP | CAL | CAJ | H11 | 25.5° | 60.0° |
| NAP | CAL | H12 | H13 | 119.9° | 120.0° |
| NAP | CAU | NAQ | NAN | 179.4° | 179.7° |
| NAP | CAU | NAQ | CAW | 179.3° | 180.0° |
| NAP | CAU | NAN | CAV | 179.5° | 179.8° |
| CAU | NAP | CAL | H12 | 60.5° | 60.0° |
| CAU | NAP | CAL | H13 | 59.5° | 60.0° |
| NAP | CAU | NAQ | H15 | 0.7° | 0.0° |
| CAU | NAQ | CAW | H15 | 180.0° | 180.0° |
| NAQ | CAU | NAN | CAV | 0.1° | 0.4° |
| CAU | NAQ | CAW | CAV | 0.2° | 0.0° |
| CAU | NAQ | CAW | CAF | 179.7° | 180.0° |
| NAQ | CAU | NAP | H14 | 111.0° | 180.0° |
| NAN | CAU | NAQ | CAW | 0.1° | 0.3° |
| CAU | NAN | CAV | CAW | 0.3° | 0.4° |
| CAU | NAN | CAV | CAE | 179.9° | 179.8° |
| NAN | CAU | NAP | H14 | 69.7° | 0.3° |
| NAN | CAU | NAQ | H15 | 180.0° | 179.7° |
| NAQ | CAW | CAV | NAN | 0.3° | 0.2° |
| NAQ | CAW | CAV | CAF | 180.0° | 180.0° |
| NAQ | CAW | CAV | CAE | 180.0° | 179.9° |
| NAQ | CAW | CAF | CAD | 179.9° | 180.0° |
| NAQ | CAW | CAF | H16 | 0.1° | 0.0° |
| NAN | CAV | CAW | CAE | 179.7° | 179.8° |
| NAN | CAV | CAW | CAF | 179.6° | 179.8° |
| NAN | CAV | CAE | CAC | 179.2° | 179.7° |
| NAN | CAV | CAE | H19 | 0.7° | 0.3° |
| CAV | CAW | CAF | CAD | 0.1° | 0.0° |
| CAW | CAV | CAE | CAC | 0.3° | 0.0° |
| CAV | CAW | NAQ | H15 | 179.8° | 180.0° |
| CAV | CAW | CAF | H16 | 179.9° | 180.0° |
| CAW | CAV | CAE | H19 | 179.7° | 180.0° |
| CAF | CAW | CAV | CAE | 0.0° | 0.0° |
| CAW | CAF | CAD | H16 | 180.0° | 180.0° |
| CAW | CAF | CAD | CAC | 0.5° | 0.0° |
| CAF | CAW | NAQ | H15 | 0.3° | 0.0° |
| CAW | CAF | CAD | H17 | 179.5° | 180.0° |
| CAV | CAE | CAC | H19 | 180.0° | 180.0° |
| CAV | CAE | CAC | CAD | 0.7° | 0.0° |
| CAV | CAE | CAC | H18 | 179.3° | 180.0° |
| CAF | CAD | CAC | CAE | 0.8° | 0.0° |
| CAF | CAD | CAC | H17 | 180.0° | 180.0° |
| CAF | CAD | CAC | H18 | 179.2° | 180.0° |
| CAE | CAC | CAD | H18 | 180.0° | 180.0° |
| CAE | CAC | CAD | H17 | 179.2° | 180.0° |
| CAC | CAD | CAF | H16 | 179.5° | 179.9° |
| CAD | CAC | CAE | H19 | 179.3° | 180.0° |
| H4 | CAM | NAO | H6 | 98.7° | 176.0° |
| H5 | CAM | NAO | H6 | 21.8° | 64.0° |
| H6 | NAO | CAK | H8 | 173.1° | 176.0° |
| H6 | NAO | CAK | H9 | 67.0° | 64.0° |
| H8 | CAK | CAJ | H10 | 140.9° | 180.0° |
| H8 | CAK | CAJ | H11 | 100.0° | 60.0° |
| H9 | CAK | CAJ | H10 | 21.0° | 60.0° |
| H9 | CAK | CAJ | H11 | 140.1° | 180.0° |
| H10 | CAJ | CAL | H12 | 95.4° | 180.0° |
| H10 | CAJ | CAL | H13 | 24.6° | 60.0° |
| H11 | CAJ | CAL | H12 | 145.4° | 60.0° |
| H11 | CAJ | CAL | H13 | 94.5° | 180.0° |
| H12 | CAL | NAP | H14 | 177.9° | 119.9° |
| H13 | CAL | NAP | H14 | 62.1° | 120.1° |
| H16 | CAF | CAD | H17 | 0.5° | 0.0° |
| H17 | CAD | CAC | H18 | 0.8° | 0.0° |
| H18 | CAC | CAE | H19 | 0.7° | 0.0° |
