71P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAB | sing | 1.43Å | 1.44Å | |
| OAB | CAC | sing | 1.36Å | 1.36Å | |
| CAM | OAN | sing | 1.43Å | 1.43Å | |
| OAN | CAO | sing | 1.36Å | 1.37Å | |
| CAC | CAO | doub | 1.39Å | 1.37Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | OAW | sing | 1.36Å | 1.36Å | |
| CAP | CAQ | doub | 1.40Å | 1.45Å | Aromatic |
| OAW | CBA | sing | 1.43Å | 1.48Å | |
| CAE | CAQ | sing | 1.39Å | 1.43Å | Aromatic |
| CAE | CAF | sing | 1.51Å | 1.41Å | |
| CAQ | CAR | sing | 1.49Å | 1.46Å | |
| CAF | CAG | sing | 1.53Å | 1.43Å | |
| CAX | CAR | doub | 1.37Å | 1.41Å | |
| CAX | CAY | sing | 1.34Å | 1.39Å | |
| CAR | CAS | sing | 1.39Å | 1.42Å | |
| CAG | CAH | sing | 1.52Å | 1.51Å | |
| CAY | CAZ | doub | 1.36Å | 1.38Å | |
| CAS | CAH | sing | 1.52Å | 1.43Å | |
| CAS | CAT | doub | 1.35Å | 1.41Å | |
| CAH | NAI | sing | 1.47Å | 1.51Å | |
| OAK | CAJ | doub | 1.21Å | 1.23Å | |
| NAI | CAJ | sing | 1.35Å | 1.36Å | |
| CAZ | CAU | sing | 1.39Å | 1.38Å | |
| CAZ | SBB | sing | 1.76Å | 1.78Å | |
| CAJ | CAL | sing | 1.51Å | 1.52Å | |
| CAT | CAU | sing | 1.36Å | 1.38Å | |
| CAU | OAV | doub | 1.22Å | 1.23Å | |
| SBB | CBC | sing | 1.81Å | 1.78Å | |
| CBA | H1 | sing | 1.09Å | 1.10Å | |
| CBA | H2 | sing | 1.09Å | 1.10Å | |
| CBA | H3 | sing | 1.09Å | 1.10Å | |
| CAX | H4 | sing | 1.08Å | 1.08Å | |
| CAY | H5 | sing | 1.08Å | 1.08Å | |
| CBC | H6 | sing | 1.09Å | 1.10Å | |
| CBC | H7 | sing | 1.09Å | 1.10Å | |
| CBC | H8 | sing | 1.09Å | 1.10Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| NAI | H11 | sing | 0.97Å | 1.00Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.09Å | 1.10Å | |
| CAF | H17 | sing | 1.09Å | 1.10Å | |
| CAF | H18 | sing | 1.09Å | 1.10Å | |
| CAD | H19 | sing | 1.08Å | 1.08Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAM | H23 | sing | 1.09Å | 1.10Å | |
| CAM | H24 | sing | 1.09Å | 1.10Å | |
| CAM | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAB | CAC | 112.2° | 117.0° |
| OAB | CAA | H20 | 109.5° | 109.5° |
| OAB | CAA | H21 | 109.4° | 109.5° |
| OAB | CAA | H22 | 109.4° | 109.5° |
| OAB | CAC | CAO | 117.7° | 119.8° |
| OAB | CAC | CAD | 123.9° | 119.8° |
| CAM | OAN | CAO | 120.3° | 117.0° |
| OAN | CAM | H23 | 109.5° | 109.5° |
| OAN | CAM | H24 | 109.5° | 109.5° |
| OAN | CAM | H25 | 109.5° | 109.5° |
| OAN | CAO | CAC | 118.6° | 120.1° |
| OAN | CAO | CAP | 120.4° | 120.0° |
| CAO | CAC | CAD | 118.4° | 120.4° |
| CAC | CAO | CAP | 121.0° | 119.9° |
| CAC | CAD | CAE | 122.0° | 120.0° |
| CAC | CAD | H19 | 119.0° | 120.0° |
| CAO | CAP | OAW | 112.5° | 120.2° |
| CAO | CAP | CAQ | 123.7° | 119.4° |
| CAD | CAE | CAQ | 122.3° | 120.0° |
| CAD | CAE | CAF | 107.3° | 120.1° |
| CAE | CAD | H19 | 119.0° | 120.0° |
| OAW | CAP | CAQ | 123.7° | 120.3° |
| CAP | OAW | CBA | 104.9° | 117.0° |
| CAP | CAQ | CAE | 112.6° | 120.3° |
| CAP | CAQ | CAR | 123.8° | 119.6° |
| OAW | CBA | H1 | 109.5° | 109.5° |
| OAW | CBA | H2 | 109.5° | 109.5° |
| OAW | CBA | H3 | 109.5° | 109.5° |
| CAQ | CAE | CAF | 130.2° | 119.9° |
| CAE | CAQ | CAR | 123.6° | 120.0° |
| CAE | CAF | CAG | 114.3° | 109.7° |
| CAE | CAF | H17 | 108.3° | 109.5° |
| CAE | CAF | H18 | 108.3° | 109.4° |
| CAQ | CAR | CAX | 112.6° | 116.7° |
| CAQ | CAR | CAS | 127.0° | 117.2° |
| CAF | CAG | CAH | 109.6° | 111.1° |
| CAF | CAG | H15 | 109.4° | 109.2° |
| CAF | CAG | H16 | 109.4° | 109.1° |
| CAG | CAF | H17 | 108.2° | 109.4° |
| CAG | CAF | H18 | 108.2° | 109.4° |
| CAR | CAX | CAY | 133.3° | 132.8° |
| CAX | CAR | CAS | 120.0° | 126.2° |
| CAR | CAX | H4 | 113.4° | 113.6° |
| CAX | CAY | CAZ | 131.1° | 128.7° |
| CAY | CAX | H4 | 113.4° | 113.6° |
| CAX | CAY | H5 | 114.5° | 115.6° |
| CAR | CAS | CAH | 130.1° | 118.3° |
| CAR | CAS | CAT | 130.0° | 125.3° |
| CAG | CAH | CAS | 108.8° | 111.8° |
| CAG | CAH | NAI | 119.4° | 109.0° |
| CAG | CAH | H10 | 103.7° | 109.0° |
| CAH | CAG | H15 | 109.4° | 109.2° |
| CAH | CAG | H16 | 109.4° | 109.1° |
| CAY | CAZ | CAU | 125.9° | 125.4° |
| CAY | CAZ | SBB | 114.8° | 117.3° |
| CAZ | CAY | H5 | 114.4° | 115.6° |
| CAH | CAS | CAT | 99.9° | 116.4° |
| CAS | CAH | NAI | 114.8° | 109.0° |
| CAS | CAH | H10 | 104.5° | 109.0° |
| CAS | CAT | CAU | 132.5° | 132.9° |
| CAS | CAT | H9 | 113.7° | 113.5° |
| CAH | NAI | CAJ | 126.7° | 120.0° |
| NAI | CAH | H10 | 103.8° | 109.0° |
| CAH | NAI | H11 | 116.6° | 120.0° |
| OAK | CAJ | NAI | 126.2° | 120.0° |
| OAK | CAJ | CAL | 118.1° | 120.0° |
| NAI | CAJ | CAL | 115.6° | 120.0° |
| CAJ | NAI | H11 | 116.6° | 120.0° |
| CAU | CAZ | SBB | 119.3° | 117.3° |
| CAZ | CAU | CAT | 126.9° | 128.5° |
| CAZ | CAU | OAV | 119.5° | 115.8° |
| CAZ | SBB | CBC | 104.0° | 100.0° |
| CAJ | CAL | H12 | 109.5° | 109.5° |
| CAJ | CAL | H13 | 109.5° | 109.5° |
| CAJ | CAL | H14 | 109.5° | 109.4° |
| CAT | CAU | OAV | 113.6° | 115.8° |
| CAU | CAT | H9 | 113.8° | 113.5° |
| SBB | CBC | H6 | 109.5° | 109.5° |
| SBB | CBC | H7 | 109.4° | 109.5° |
| SBB | CBC | H8 | 109.4° | 109.5° |
| H1 | CBA | H2 | 109.5° | 109.5° |
| H1 | CBA | H3 | 109.5° | 109.4° |
| H2 | CBA | H3 | 109.5° | 109.5° |
| H6 | CBC | H7 | 109.5° | 109.5° |
| H6 | CBC | H8 | 109.5° | 109.5° |
| H7 | CBC | H8 | 109.5° | 109.4° |
| H12 | CAL | H13 | 109.4° | 109.5° |
| H12 | CAL | H14 | 109.5° | 109.5° |
| H13 | CAL | H14 | 109.5° | 109.5° |
| H15 | CAG | H16 | 109.5° | 109.2° |
| H17 | CAF | H18 | 109.5° | 109.4° |
| H20 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H22 | 109.5° | 109.4° |
| H21 | CAA | H22 | 109.5° | 109.4° |
| H23 | CAM | H24 | 109.5° | 109.4° |
| H23 | CAM | H25 | 109.5° | 109.4° |
| H24 | CAM | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAB | CAC | CAO | 97.3° | 180.0° |
| CAA | OAB | CAC | CAD | 83.0° | 0.6° |
| OAB | CAA | H20 | H21 | 120.0° | 120.1° |
| OAB | CAA | H20 | H22 | 120.0° | 120.0° |
| OAB | CAA | H21 | H22 | 120.0° | 120.0° |
| OAB | CAC | CAO | OAN | 1.7° | 0.9° |
| OAB | CAC | CAO | CAD | 179.7° | 179.4° |
| OAB | CAC | CAO | CAP | 178.9° | 179.8° |
| OAB | CAC | CAD | CAE | 178.6° | 179.8° |
| OAB | CAC | CAD | H19 | 1.4° | 0.2° |
| CAC | OAB | CAA | H20 | 180.0° | 60.0° |
| CAC | OAB | CAA | H21 | 60.0° | 60.0° |
| CAC | OAB | CAA | H22 | 60.0° | 180.0° |
| CAM | OAN | CAO | CAC | 89.6° | 84.2° |
| CAM | OAN | CAO | CAP | 93.2° | 96.5° |
| OAN | CAM | H23 | H24 | 120.0° | 120.0° |
| OAN | CAM | H23 | H25 | 120.0° | 120.0° |
| OAN | CAM | H24 | H25 | 120.0° | 120.0° |
| OAN | CAO | CAC | CAP | 177.2° | 179.3° |
| OAN | CAO | CAC | CAD | 178.5° | 179.8° |
| OAN | CAO | CAP | OAW | 4.4° | 0.6° |
| OAN | CAO | CAP | CAQ | 178.3° | 179.8° |
| CAO | OAN | CAM | H23 | 180.0° | 65.8° |
| CAO | OAN | CAM | H24 | 60.0° | 54.2° |
| CAO | OAN | CAM | H25 | 60.0° | 174.2° |
| CAO | CAC | CAD | CAE | 1.7° | 0.4° |
| CAC | CAO | CAP | OAW | 178.4° | 179.9° |
| CAC | CAO | CAP | CAQ | 1.1° | 0.4° |
| CAO | CAC | CAD | H19 | 178.3° | 179.5° |
| CAD | CAC | CAO | CAP | 1.4° | 0.4° |
| CAC | CAD | CAE | H19 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAQ | 1.9° | 0.4° |
| CAC | CAD | CAE | CAF | 177.9° | 179.1° |
| CAO | CAP | OAW | CAQ | 177.3° | 179.7° |
| CAO | CAP | OAW | CBA | 90.9° | 93.5° |
| CAO | CAP | CAQ | CAE | 1.1° | 0.4° |
| CAO | CAP | CAQ | CAR | 179.5° | 179.1° |
| CAD | CAE | CAQ | CAP | 1.4° | 0.4° |
| CAD | CAE | CAQ | CAF | 175.0° | 179.5° |
| CAD | CAE | CAQ | CAR | 179.2° | 179.1° |
| CAD | CAE | CAF | CAG | 148.5° | 104.3° |
| CAD | CAE | CAF | H17 | 27.8° | 135.7° |
| CAD | CAE | CAF | H18 | 90.8° | 15.7° |
| OAW | CAP | CAQ | CAE | 178.1° | 180.0° |
| OAW | CAP | CAQ | CAR | 2.6° | 0.6° |
| CAP | OAW | CBA | H1 | 180.0° | 65.4° |
| CAP | OAW | CBA | H2 | 60.0° | 54.6° |
| CAP | OAW | CBA | H3 | 60.0° | 174.6° |
| CAQ | CAP | OAW | CBA | 86.3° | 86.2° |
| CAP | CAQ | CAE | CAR | 179.4° | 179.4° |
| CAP | CAQ | CAE | CAF | 176.5° | 179.1° |
| CAP | CAQ | CAR | CAX | 11.9° | 48.9° |
| CAP | CAQ | CAR | CAS | 175.0° | 130.8° |
| OAW | CBA | H1 | H2 | 120.0° | 120.1° |
| OAW | CBA | H1 | H3 | 120.0° | 120.0° |
| OAW | CBA | H2 | H3 | 120.0° | 120.0° |
| CAQ | CAE | CAF | CAG | 35.9° | 76.2° |
| CAE | CAQ | CAR | CAX | 167.4° | 131.7° |
| CAE | CAQ | CAR | CAS | 5.8° | 48.7° |
| CAQ | CAE | CAF | H17 | 156.6° | 43.8° |
| CAQ | CAE | CAF | H18 | 84.8° | 163.7° |
| CAQ | CAE | CAD | H19 | 178.1° | 179.5° |
| CAF | CAE | CAQ | CAR | 4.2° | 1.5° |
| CAE | CAF | CAG | H17 | 120.7° | 120.1° |
| CAE | CAF | CAG | H18 | 120.7° | 120.1° |
| CAE | CAF | CAG | CAH | 82.7° | 44.2° |
| CAE | CAF | CAG | H15 | 37.3° | 164.7° |
| CAE | CAF | CAG | H16 | 157.3° | 76.1° |
| CAE | CAF | H17 | H18 | 117.8° | 119.9° |
| CAF | CAE | CAD | H19 | 2.1° | 1.0° |
| CAQ | CAR | CAX | CAS | 173.7° | 179.6° |
| CAQ | CAR | CAX | CAY | 178.2° | 178.2° |
| CAQ | CAR | CAS | CAH | 1.6° | 4.9° |
| CAQ | CAR | CAS | CAT | 178.4° | 175.5° |
| CAQ | CAR | CAX | H4 | 1.8° | 1.7° |
| CAF | CAG | CAH | H15 | 120.0° | 120.4° |
| CAF | CAG | CAH | H16 | 120.0° | 120.3° |
| CAF | CAG | CAH | CAS | 85.8° | 44.9° |
| CAF | CAG | CAH | NAI | 48.7° | 165.5° |
| CAF | CAG | CAH | H10 | 163.4° | 75.7° |
| CAF | CAG | H15 | H16 | 119.9° | 119.2° |
| CAG | CAF | H17 | H18 | 117.8° | 119.9° |
| CAR | CAX | CAY | H4 | 180.0° | 180.0° |
| CAR | CAX | CAY | CAZ | 6.9° | 1.7° |
| CAX | CAR | CAS | CAH | 174.3° | 174.7° |
| CAX | CAR | CAS | CAT | 5.7° | 4.9° |
| CAR | CAX | CAY | H5 | 173.1° | 178.3° |
| CAY | CAX | CAR | CAS | 8.1° | 2.2° |
| CAX | CAY | CAZ | H5 | 180.0° | 180.0° |
| CAX | CAY | CAZ | CAU | 2.8° | 0.3° |
| CAX | CAY | CAZ | SBB | 179.2° | 179.6° |
| CAR | CAS | CAH | CAG | 41.5° | 79.5° |
| CAR | CAS | CAH | CAT | 180.0° | 179.7° |
| CAR | CAS | CAH | NAI | 95.2° | 159.9° |
| CAR | CAS | CAT | CAU | 2.2° | 2.0° |
| CAS | CAR | CAX | H4 | 171.8° | 177.9° |
| CAR | CAS | CAT | H9 | 177.8° | 178.0° |
| CAR | CAS | CAH | H10 | 151.8° | 41.1° |
| CAG | CAH | CAS | NAI | 136.8° | 120.6° |
| CAG | CAH | CAS | H10 | 110.3° | 120.6° |
| CAG | CAH | CAS | CAT | 138.5° | 100.8° |
| CAG | CAH | NAI | H10 | 114.7° | 118.9° |
| CAG | CAH | NAI | CAJ | 129.6° | 152.7° |
| CAG | CAH | NAI | H11 | 50.4° | 27.2° |
| CAH | CAG | H15 | H16 | 119.9° | 119.2° |
| CAH | CAG | CAF | H17 | 156.6° | 75.8° |
| CAH | CAG | CAF | H18 | 38.0° | 164.3° |
| CAY | CAZ | CAU | SBB | 177.9° | 180.0° |
| CAY | CAZ | CAU | CAT | 1.0° | 3.6° |
| CAY | CAZ | CAU | OAV | 178.0° | 176.5° |
| CAY | CAZ | SBB | CBC | 128.4° | 0.0° |
| CAZ | CAY | CAX | H4 | 173.1° | 178.3° |
| CAS | CAH | NAI | H10 | 113.4° | 118.9° |
| CAS | CAH | NAI | CAJ | 2.4° | 85.0° |
| CAH | CAS | CAT | CAU | 177.8° | 177.7° |
| CAH | CAS | CAT | H9 | 2.2° | 2.3° |
| CAS | CAH | NAI | H11 | 177.6° | 95.0° |
| CAS | CAH | CAG | H15 | 34.2° | 75.5° |
| CAS | CAH | CAG | H16 | 154.2° | 165.2° |
| CAT | CAS | CAH | NAI | 84.7° | 19.8° |
| CAS | CAT | CAU | CAZ | 0.4° | 3.3° |
| CAS | CAT | CAU | H9 | 180.0° | 180.0° |
| CAS | CAT | CAU | OAV | 178.7° | 176.8° |
| CAT | CAS | CAH | H10 | 28.3° | 138.6° |
| CAH | NAI | CAJ | OAK | 7.3° | 0.0° |
| CAH | NAI | CAJ | H11 | 180.0° | 180.0° |
| CAH | NAI | CAJ | CAL | 173.8° | 180.0° |
| NAI | CAH | CAG | H15 | 168.7° | 45.0° |
| NAI | CAH | CAG | H16 | 71.4° | 74.2° |
| OAK | CAJ | NAI | CAL | 178.9° | 180.0° |
| OAK | CAJ | NAI | H11 | 172.7° | 180.0° |
| OAK | CAJ | CAL | H12 | 0.0° | 120.0° |
| OAK | CAJ | CAL | H13 | 120.0° | 0.0° |
| OAK | CAJ | CAL | H14 | 120.0° | 120.0° |
| CAJ | NAI | CAH | H10 | 115.8° | 33.9° |
| NAI | CAJ | CAL | H12 | 179.0° | 60.0° |
| NAI | CAJ | CAL | H13 | 61.0° | 180.0° |
| NAI | CAJ | CAL | H14 | 59.0° | 60.0° |
| CAZ | CAU | CAT | OAV | 179.1° | 180.0° |
| CAU | CAZ | SBB | CBC | 53.4° | 180.0° |
| CAU | CAZ | CAY | H5 | 177.2° | 179.7° |
| CAZ | CAU | CAT | H9 | 179.6° | 176.7° |
| SBB | CAZ | CAU | CAT | 179.0° | 176.4° |
| SBB | CAZ | CAU | OAV | 0.1° | 3.5° |
| SBB | CAZ | CAY | H5 | 0.9° | 0.4° |
| CAZ | SBB | CBC | H6 | 180.0° | 60.0° |
| CAZ | SBB | CBC | H7 | 60.0° | 60.0° |
| CAZ | SBB | CBC | H8 | 60.0° | 180.0° |
| CAL | CAJ | NAI | H11 | 6.2° | 0.0° |
| CAJ | CAL | H12 | H13 | 120.0° | 120.1° |
| CAJ | CAL | H12 | H14 | 120.0° | 120.0° |
| CAJ | CAL | H13 | H14 | 120.0° | 120.0° |
| OAV | CAU | CAT | H9 | 1.3° | 3.2° |
| SBB | CBC | H6 | H7 | 120.0° | 120.0° |
| SBB | CBC | H6 | H8 | 120.0° | 120.0° |
| SBB | CBC | H7 | H8 | 120.0° | 120.0° |
| H1 | CBA | H2 | H3 | 120.0° | 119.9° |
| H4 | CAX | CAY | H5 | 6.9° | 1.7° |
| H6 | CBC | H7 | H8 | 120.0° | 120.0° |
| H10 | CAH | NAI | H11 | 64.2° | 146.1° |
| H10 | CAH | CAG | H15 | 76.6° | 163.9° |
| H10 | CAH | CAG | H16 | 43.4° | 44.6° |
| H12 | CAL | H13 | H14 | 119.9° | 120.0° |
| H15 | CAG | CAF | H17 | 83.4° | 44.6° |
| H15 | CAG | CAF | H18 | 158.1° | 75.2° |
| H16 | CAG | CAF | H17 | 36.6° | 163.9° |
| H16 | CAG | CAF | H18 | 82.0° | 44.0° |
| H20 | CAA | H21 | H22 | 120.0° | 119.9° |
| H23 | CAM | H24 | H25 | 120.0° | 119.9° |
