43E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLB | CAS | sing | 1.74Å | 1.74Å | |
| CAG | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAS | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CLC | CAT | sing | 1.74Å | 1.72Å | |
| CAT | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAM | sing | 1.51Å | 1.55Å | |
| CAM | NAN | sing | 1.47Å | 1.46Å | |
| NAN | CAK | sing | 1.47Å | 1.49Å | |
| CAK | CAJ | sing | 1.53Å | 1.54Å | |
| CAJ | CAL | sing | 1.53Å | 1.53Å | |
| CAL | NAO | sing | 1.46Å | 1.47Å | |
| NAO | CAR | sing | 1.35Å | 1.33Å | |
| CAR | OAA | doub | 1.22Å | 1.23Å | |
| CAR | NAP | sing | 1.35Å | 1.34Å | |
| NAP | CAV | sing | 1.41Å | 1.34Å | |
| CAV | CAE | sing | 1.39Å | 1.36Å | Aromatic |
| CAV | CAF | doub | 1.34Å | 1.33Å | Aromatic |
| CAE | CAD | doub | 1.33Å | 1.33Å | Aromatic |
| CAF | SAQ | sing | 1.76Å | 1.68Å | Aromatic |
| CAD | SAQ | sing | 1.76Å | 1.66Å | 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 | |
| NAN | 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 | |
| NAO | H14 | sing | 0.97Å | 1.00Å | |
| NAP | H15 | sing | 0.97Å | 1.00Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAD | H17 | sing | 1.08Å | 1.08Å | |
| CAF | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLB | CAS | CAG | 118.9° | 120.0° |
| CLB | CAS | CAH | 121.9° | 120.0° |
| CAS | CAG | CAT | 119.4° | 120.0° |
| CAG | CAS | CAH | 119.2° | 119.9° |
| CAS | CAG | H2 | 120.3° | 120.0° |
| CAG | CAT | CLC | 119.8° | 120.0° |
| CAG | CAT | CAI | 121.3° | 120.0° |
| CAT | CAG | H2 | 120.3° | 120.0° |
| CAS | CAH | CAU | 121.2° | 120.0° |
| CAS | CAH | H1 | 119.4° | 120.0° |
| CLC | CAT | CAI | 118.9° | 120.0° |
| CAT | CAI | CAU | 120.4° | 120.0° |
| CAT | CAI | H3 | 119.8° | 120.0° |
| CAH | CAU | CAI | 118.6° | 120.0° |
| CAH | CAU | CAM | 122.8° | 120.0° |
| CAU | CAH | H1 | 119.4° | 120.0° |
| CAI | CAU | CAM | 118.6° | 120.0° |
| CAU | CAI | H3 | 119.8° | 120.0° |
| CAU | CAM | NAN | 111.5° | 109.5° |
| CAU | CAM | H4 | 108.8° | 109.4° |
| CAU | CAM | H5 | 108.8° | 109.4° |
| CAM | NAN | CAK | 107.9° | 111.0° |
| NAN | CAM | H4 | 108.8° | 109.5° |
| NAN | CAM | H5 | 108.8° | 109.5° |
| CAM | NAN | H6 | 110.0° | 111.0° |
| NAN | CAK | CAJ | 109.5° | 109.5° |
| CAK | NAN | H6 | 110.0° | 111.0° |
| NAN | CAK | H8 | 109.4° | 109.5° |
| NAN | CAK | H9 | 109.5° | 109.5° |
| CAK | CAJ | CAL | 112.7° | 109.5° |
| CAJ | CAK | H8 | 109.5° | 109.5° |
| CAJ | CAK | H9 | 109.5° | 109.4° |
| CAK | CAJ | H10 | 108.4° | 109.5° |
| CAK | CAJ | H11 | 108.4° | 109.5° |
| CAJ | CAL | NAO | 111.8° | 109.5° |
| CAL | CAJ | H10 | 108.4° | 109.5° |
| CAL | CAJ | H11 | 108.4° | 109.4° |
| CAJ | CAL | H12 | 108.7° | 109.5° |
| CAJ | CAL | H13 | 108.7° | 109.4° |
| CAL | NAO | CAR | 119.9° | 120.0° |
| NAO | CAL | H12 | 108.7° | 109.5° |
| NAO | CAL | H13 | 108.7° | 109.5° |
| CAL | NAO | H14 | 120.0° | 120.0° |
| NAO | CAR | OAA | 118.9° | 120.0° |
| NAO | CAR | NAP | 117.9° | 120.0° |
| CAR | NAO | H14 | 120.0° | 119.9° |
| OAA | CAR | NAP | 123.1° | 119.9° |
| CAR | NAP | CAV | 123.4° | 120.1° |
| CAR | NAP | H15 | 118.3° | 120.0° |
| NAP | CAV | CAE | 124.1° | 122.6° |
| NAP | CAV | CAF | 121.3° | 122.6° |
| CAV | NAP | H15 | 118.3° | 120.0° |
| CAE | CAV | CAF | 114.5° | 114.8° |
| CAV | CAE | CAD | 118.6° | 114.9° |
| CAV | CAE | H16 | 120.7° | 122.6° |
| CAV | CAF | SAQ | 104.6° | 109.6° |
| CAV | CAF | H18 | 127.7° | 125.2° |
| CAE | CAD | SAQ | 103.0° | 109.7° |
| CAD | CAE | H16 | 120.7° | 122.5° |
| CAE | CAD | H17 | 128.5° | 125.1° |
| CAF | SAQ | CAD | 99.3° | 91.0° |
| SAQ | CAF | H18 | 127.7° | 125.2° |
| SAQ | CAD | H17 | 128.5° | 125.2° |
| H4 | CAM | H5 | 110.1° | 109.5° |
| H8 | CAK | H9 | 109.5° | 109.4° |
| H10 | CAJ | H11 | 110.5° | 109.5° |
| H12 | CAL | H13 | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLB | CAS | CAG | CAH | 179.9° | 179.9° |
| CLB | CAS | CAG | CAT | 179.9° | 180.0° |
| CLB | CAS | CAH | CAU | 180.0° | 180.0° |
| CLB | CAS | CAH | H1 | 0.0° | 0.2° |
| CLB | CAS | CAG | H2 | 0.1° | 0.1° |
| CAS | CAG | CAT | H2 | 180.0° | 179.9° |
| CAS | CAG | CAT | CLC | 179.7° | 180.0° |
| CAS | CAG | CAT | CAI | 0.2° | 0.0° |
| CAG | CAS | CAH | CAU | 0.1° | 0.1° |
| CAG | CAS | CAH | H1 | 179.9° | 179.7° |
| CAT | CAG | CAS | CAH | 0.2° | 0.1° |
| CAG | CAT | CLC | CAI | 179.8° | 180.0° |
| CAG | CAT | CAI | CAU | 0.1° | 0.0° |
| CAG | CAT | CAI | H3 | 179.9° | 180.0° |
| CAS | CAH | CAU | H1 | 180.0° | 179.8° |
| CAS | CAH | CAU | CAI | 0.0° | 0.0° |
| CAS | CAH | CAU | CAM | 179.3° | 179.8° |
| CAH | CAS | CAG | H2 | 179.8° | 180.0° |
| CLC | CAT | CAI | CAU | 179.7° | 179.9° |
| CLC | CAT | CAG | H2 | 0.3° | 0.1° |
| CLC | CAT | CAI | H3 | 0.3° | 0.0° |
| CAT | CAI | CAU | CAH | 0.0° | 0.0° |
| CAT | CAI | CAU | H3 | 180.0° | 179.9° |
| CAT | CAI | CAU | CAM | 179.3° | 179.8° |
| CAI | CAT | CAG | H2 | 179.8° | 180.0° |
| CAH | CAU | CAI | CAM | 179.3° | 179.8° |
| CAH | CAU | CAM | NAN | 84.4° | 90.0° |
| CAH | CAU | CAI | H3 | 180.0° | 180.0° |
| CAH | CAU | CAM | H4 | 155.6° | 150.0° |
| CAH | CAU | CAM | H5 | 35.6° | 30.1° |
| CAI | CAU | CAM | NAN | 96.4° | 90.2° |
| CAI | CAU | CAH | H1 | 180.0° | 179.8° |
| CAI | CAU | CAM | H4 | 23.6° | 29.8° |
| CAI | CAU | CAM | H5 | 143.6° | 149.8° |
| CAU | CAM | NAN | H4 | 120.0° | 120.0° |
| CAU | CAM | NAN | H5 | 120.0° | 120.0° |
| CAU | CAM | NAN | CAK | 85.1° | 180.0° |
| CAM | CAU | CAH | H1 | 0.7° | 0.0° |
| CAM | CAU | CAI | H3 | 0.7° | 0.2° |
| CAU | CAM | H4 | H5 | 119.2° | 119.9° |
| CAU | CAM | NAN | H6 | 154.9° | 56.1° |
| CAM | NAN | CAK | H6 | 120.0° | 124.0° |
| CAM | NAN | CAK | CAJ | 168.4° | 180.0° |
| NAN | CAM | H4 | H5 | 119.2° | 120.1° |
| CAM | NAN | CAK | H8 | 71.6° | 60.0° |
| CAM | NAN | CAK | H9 | 48.4° | 60.0° |
| NAN | CAK | CAJ | H8 | 120.0° | 120.0° |
| NAN | CAK | CAJ | H9 | 120.0° | 120.1° |
| NAN | CAK | CAJ | CAL | 162.7° | 180.0° |
| CAK | NAN | CAM | H4 | 34.9° | 60.0° |
| CAK | NAN | CAM | H5 | 154.9° | 60.0° |
| NAN | CAK | H8 | H9 | 120.0° | 120.0° |
| NAN | CAK | CAJ | H10 | 77.3° | 60.0° |
| NAN | CAK | CAJ | H11 | 42.7° | 60.0° |
| CAK | CAJ | CAL | H10 | 120.0° | 120.0° |
| CAK | CAJ | CAL | H11 | 120.0° | 120.0° |
| CAK | CAJ | CAL | NAO | 80.0° | 180.0° |
| CAJ | CAK | NAN | H6 | 48.4° | 56.0° |
| CAJ | CAK | H8 | H9 | 120.0° | 119.9° |
| CAK | CAJ | H10 | H11 | 118.7° | 120.0° |
| CAK | CAJ | CAL | H12 | 40.0° | 60.0° |
| CAK | CAJ | CAL | H13 | 160.0° | 60.0° |
| CAJ | CAL | NAO | H12 | 120.0° | 120.1° |
| CAJ | CAL | NAO | H13 | 120.0° | 119.9° |
| CAJ | CAL | NAO | CAR | 177.7° | 180.0° |
| CAL | CAJ | CAK | H8 | 42.7° | 59.9° |
| CAL | CAJ | CAK | H9 | 77.3° | 60.0° |
| CAL | CAJ | H10 | H11 | 118.7° | 120.0° |
| CAJ | CAL | H12 | H13 | 119.0° | 120.0° |
| CAJ | CAL | NAO | H14 | 2.4° | 0.0° |
| CAL | NAO | CAR | H14 | 180.0° | 180.0° |
| CAL | NAO | CAR | OAA | 0.2° | 0.0° |
| CAL | NAO | CAR | NAP | 178.8° | 180.0° |
| NAO | CAL | CAJ | H10 | 160.0° | 59.9° |
| NAO | CAL | CAJ | H11 | 40.0° | 60.0° |
| NAO | CAL | H12 | H13 | 119.1° | 120.0° |
| NAO | CAR | OAA | NAP | 178.5° | 180.0° |
| NAO | CAR | NAP | CAV | 175.6° | 174.6° |
| CAR | NAO | CAL | H12 | 62.3° | 59.9° |
| CAR | NAO | CAL | H13 | 57.7° | 60.1° |
| NAO | CAR | NAP | H15 | 4.4° | 5.3° |
| OAA | CAR | NAP | CAV | 5.9° | 5.4° |
| OAA | CAR | NAO | H14 | 179.8° | 180.0° |
| OAA | CAR | NAP | H15 | 174.1° | 174.6° |
| CAR | NAP | CAV | H15 | 180.0° | 180.0° |
| CAR | NAP | CAV | CAE | 3.6° | 25.2° |
| CAR | NAP | CAV | CAF | 179.8° | 154.5° |
| NAP | CAR | NAO | H14 | 1.2° | 0.0° |
| NAP | CAV | CAE | CAF | 176.4° | 179.7° |
| NAP | CAV | CAE | CAD | 177.2° | 180.0° |
| NAP | CAV | CAF | SAQ | 177.4° | 179.9° |
| NAP | CAV | CAE | H16 | 2.8° | 0.1° |
| NAP | CAV | CAF | H18 | 2.6° | 0.1° |
| CAV | CAE | CAD | H16 | 180.0° | 180.0° |
| CAE | CAV | CAF | SAQ | 0.9° | 0.4° |
| CAV | CAE | CAD | SAQ | 0.3° | 0.0° |
| CAE | CAV | NAP | H15 | 176.4° | 154.8° |
| CAV | CAE | CAD | H17 | 179.7° | 179.9° |
| CAE | CAV | CAF | H18 | 179.1° | 179.8° |
| CAF | CAV | CAE | CAD | 0.9° | 0.3° |
| CAV | CAF | SAQ | H18 | 180.0° | 179.8° |
| CAV | CAF | SAQ | CAD | 0.6° | 0.3° |
| CAF | CAV | NAP | H15 | 0.2° | 25.5° |
| CAF | CAV | CAE | H16 | 179.2° | 179.7° |
| CAE | CAD | SAQ | CAF | 0.2° | 0.2° |
| CAE | CAD | SAQ | H17 | 180.0° | 179.9° |
| CAF | SAQ | CAD | H17 | 179.8° | 179.9° |
| SAQ | CAD | CAE | H16 | 179.7° | 180.0° |
| CAD | SAQ | CAF | H18 | 179.4° | 179.8° |
| H4 | CAM | NAN | H6 | 85.1° | 176.0° |
| H5 | CAM | NAN | H6 | 34.9° | 63.9° |
| H6 | NAN | CAK | H8 | 168.4° | 176.0° |
| H6 | NAN | CAK | H9 | 71.6° | 64.0° |
| H8 | CAK | CAJ | H10 | 162.7° | 180.0° |
| H8 | CAK | CAJ | H11 | 77.3° | 60.0° |
| H9 | CAK | CAJ | H10 | 42.7° | 60.1° |
| H9 | CAK | CAJ | H11 | 162.7° | 179.9° |
| H10 | CAJ | CAL | H12 | 80.0° | 180.0° |
| H10 | CAJ | CAL | H13 | 40.0° | 60.0° |
| H11 | CAJ | CAL | H12 | 160.0° | 60.0° |
| H11 | CAJ | CAL | H13 | 80.0° | 180.0° |
| H12 | CAL | NAO | H14 | 117.6° | 120.1° |
| H13 | CAL | NAO | H14 | 122.3° | 120.0° |
| H16 | CAE | CAD | H17 | 0.3° | 0.1° |
