59E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAV | CAT | doub | 1.21Å | 1.23Å | |
| CAW | OAU | sing | 1.45Å | 1.45Å | |
| CAT | OAU | sing | 1.34Å | 1.35Å | |
| CAT | CAS | sing | 1.51Å | 1.54Å | |
| CAS | CAI | sing | 1.53Å | 1.55Å | |
| CAI | CAJ | sing | 1.51Å | 1.43Å | |
| CAI | NAH | sing | 1.47Å | 1.50Å | |
| NAN | CAJ | doub | 1.30Å | 1.35Å | Aromatic |
| NAN | NAO | sing | 1.29Å | 1.36Å | Aromatic |
| CBD | CBE | doub | 1.34Å | 1.34Å | Aromatic |
| CBD | NBC | sing | 1.37Å | 1.33Å | Aromatic |
| CBE | CBB | sing | 1.46Å | 1.35Å | Aromatic |
| CAJ | NAK | sing | 1.36Å | 1.35Å | Aromatic |
| NAH | CAG | doub | 1.29Å | 1.34Å | |
| NAO | CAP | doub | 1.31Å | 1.33Å | Aromatic |
| NBC | CBA | sing | 1.38Å | 1.34Å | Aromatic |
| CBB | CBA | doub | 1.41Å | 1.35Å | Aromatic |
| CBB | CAQ | sing | 1.41Å | 1.37Å | Aromatic |
| CAG | CAQ | sing | 1.48Å | 1.43Å | |
| CAG | CAD | sing | 1.47Å | 1.42Å | |
| NAK | CAP | sing | 1.36Å | 1.37Å | Aromatic |
| NAK | CAE | sing | 1.40Å | 1.37Å | |
| CAP | CAR | sing | 1.51Å | 1.52Å | |
| CBA | CAZ | sing | 1.39Å | 1.34Å | Aromatic |
| CAQ | CAX | doub | 1.39Å | 1.41Å | Aromatic |
| CAD | CAE | doub | 1.40Å | 1.41Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | OAL | sing | 1.36Å | 1.40Å | |
| OAL | CAM | sing | 1.43Å | 1.43Å | |
| CAW | H1 | sing | 1.09Å | 1.10Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAC | H15 | sing | 1.08Å | 1.08Å | |
| CBE | H16 | sing | 1.08Å | 1.08Å | |
| CBD | H17 | sing | 1.08Å | 1.08Å | |
| NBC | H18 | sing | 0.97Å | 1.00Å | |
| CAZ | H19 | sing | 1.08Å | 1.08Å | |
| CAY | H20 | sing | 1.08Å | 1.08Å | |
| CAX | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAV | CAT | OAU | 122.8° | 120.0° |
| OAV | CAT | CAS | 120.2° | 120.0° |
| CAW | OAU | CAT | 114.8° | 117.1° |
| OAU | CAW | H1 | 109.5° | 109.4° |
| OAU | CAW | H2 | 109.5° | 109.5° |
| OAU | CAW | H3 | 109.5° | 109.5° |
| OAU | CAT | CAS | 117.0° | 120.0° |
| CAT | CAS | CAI | 108.7° | 109.5° |
| CAT | CAS | H4 | 109.7° | 109.5° |
| CAT | CAS | H5 | 109.7° | 109.5° |
| CAS | CAI | CAJ | 114.8° | 109.8° |
| CAS | CAI | NAH | 110.6° | 109.8° |
| CAI | CAS | H4 | 109.6° | 109.5° |
| CAI | CAS | H5 | 109.7° | 109.5° |
| CAS | CAI | H6 | 107.6° | 109.8° |
| CAJ | CAI | NAH | 106.5° | 107.7° |
| CAI | CAJ | NAN | 126.0° | 127.4° |
| CAI | CAJ | NAK | 124.5° | 125.1° |
| CAJ | CAI | H6 | 109.1° | 109.8° |
| CAI | NAH | CAG | 123.9° | 121.9° |
| NAH | CAI | H6 | 108.1° | 109.9° |
| CAJ | NAN | NAO | 108.1° | 109.6° |
| NAN | CAJ | NAK | 109.5° | 107.5° |
| NAN | NAO | CAP | 106.3° | 109.9° |
| CBE | CBD | NBC | 108.2° | 109.9° |
| CBD | CBE | CBB | 108.9° | 107.0° |
| CBD | CBE | H16 | 125.6° | 126.5° |
| CBE | CBD | H17 | 125.9° | 125.0° |
| CBD | NBC | CBA | 107.8° | 109.8° |
| NBC | CBD | H17 | 125.9° | 125.1° |
| CBD | NBC | H18 | 126.1° | 125.1° |
| CBE | CBB | CBA | 105.9° | 106.1° |
| CBE | CBB | CAQ | 132.8° | 134.0° |
| CBB | CBE | H16 | 125.6° | 126.5° |
| CAJ | NAK | CAP | 104.9° | 106.1° |
| CAJ | NAK | CAE | 122.3° | 126.1° |
| NAH | CAG | CAQ | 115.5° | 116.1° |
| NAH | CAG | CAD | 120.3° | 127.9° |
| NAO | CAP | NAK | 111.2° | 106.9° |
| NAO | CAP | CAR | 122.7° | 126.5° |
| NBC | CBA | CBB | 109.2° | 107.1° |
| NBC | CBA | CAZ | 128.7° | 133.4° |
| CBA | NBC | H18 | 126.1° | 125.1° |
| CBA | CBB | CAQ | 121.2° | 119.9° |
| CBB | CBA | CAZ | 122.0° | 119.5° |
| CBB | CAQ | CAG | 124.7° | 120.4° |
| CBB | CAQ | CAX | 117.4° | 119.3° |
| CAQ | CAG | CAD | 123.9° | 116.0° |
| CAG | CAQ | CAX | 117.9° | 120.3° |
| CAG | CAD | CAE | 126.2° | 123.0° |
| CAG | CAD | CAC | 115.1° | 118.0° |
| CAP | NAK | CAE | 132.8° | 127.8° |
| NAK | CAP | CAR | 126.1° | 126.6° |
| NAK | CAE | CAD | 124.6° | 121.8° |
| NAK | CAE | CAF | 115.7° | 118.2° |
| CAP | CAR | H7 | 109.5° | 109.4° |
| CAP | CAR | H8 | 109.4° | 109.5° |
| CAP | CAR | H9 | 109.5° | 109.5° |
| CBA | CAZ | CAY | 119.8° | 120.2° |
| CBA | CAZ | H19 | 120.1° | 119.9° |
| CAQ | CAX | CAY | 121.1° | 120.2° |
| CAQ | CAX | H21 | 119.4° | 119.9° |
| CAE | CAD | CAC | 118.8° | 118.9° |
| CAD | CAE | CAF | 119.8° | 120.0° |
| CAD | CAC | CAB | 121.2° | 120.5° |
| CAD | CAC | H15 | 119.4° | 119.7° |
| CAE | CAF | CAA | 120.9° | 120.5° |
| CAE | CAF | H10 | 119.5° | 119.8° |
| CAZ | CAY | CAX | 118.3° | 120.9° |
| CAY | CAZ | H19 | 120.1° | 119.9° |
| CAZ | CAY | H20 | 120.9° | 119.6° |
| CAF | CAA | CAB | 119.1° | 120.0° |
| CAA | CAF | H10 | 119.6° | 119.7° |
| CAF | CAA | H11 | 120.5° | 120.0° |
| CAC | CAB | CAA | 120.3° | 120.1° |
| CAC | CAB | OAL | 116.2° | 119.9° |
| CAB | CAC | H15 | 119.4° | 119.8° |
| CAX | CAY | H20 | 120.8° | 119.5° |
| CAY | CAX | H21 | 119.4° | 119.9° |
| CAA | CAB | OAL | 123.5° | 120.0° |
| CAB | CAA | H11 | 120.4° | 120.0° |
| CAB | OAL | CAM | 118.8° | 117.0° |
| OAL | CAM | H12 | 109.5° | 109.5° |
| OAL | CAM | H13 | 109.5° | 109.5° |
| OAL | CAM | H14 | 109.5° | 109.5° |
| H1 | CAW | H2 | 109.4° | 109.5° |
| H1 | CAW | H3 | 109.5° | 109.5° |
| H2 | CAW | H3 | 109.4° | 109.5° |
| H4 | CAS | H5 | 109.4° | 109.5° |
| H7 | CAR | H8 | 109.5° | 109.4° |
| H7 | CAR | H9 | 109.4° | 109.4° |
| H8 | CAR | H9 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.4° | 109.5° |
| H12 | CAM | H14 | 109.5° | 109.4° |
| H13 | CAM | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAV | CAT | OAU | CAW | 2.4° | 0.0° |
| OAV | CAT | OAU | CAS | 177.5° | 180.0° |
| OAV | CAT | CAS | CAI | 142.8° | 0.0° |
| OAV | CAT | CAS | H4 | 97.3° | 120.0° |
| OAV | CAT | CAS | H5 | 22.9° | 120.0° |
| CAW | OAU | CAT | CAS | 175.1° | 180.0° |
| OAU | CAW | H1 | H2 | 120.0° | 120.0° |
| OAU | CAW | H1 | H3 | 120.0° | 120.0° |
| OAU | CAW | H2 | H3 | 120.0° | 120.0° |
| OAU | CAT | CAS | CAI | 39.6° | 180.0° |
| CAT | OAU | CAW | H1 | 180.0° | 60.0° |
| CAT | OAU | CAW | H2 | 60.0° | 60.0° |
| CAT | OAU | CAW | H3 | 60.0° | 180.0° |
| OAU | CAT | CAS | H4 | 80.2° | 60.0° |
| OAU | CAT | CAS | H5 | 159.5° | 60.0° |
| CAT | CAS | CAI | H4 | 119.9° | 120.0° |
| CAT | CAS | CAI | H5 | 119.9° | 120.0° |
| CAT | CAS | CAI | CAJ | 176.8° | 175.0° |
| CAT | CAS | CAI | NAH | 56.2° | 66.7° |
| CAT | CAS | H4 | H5 | 120.4° | 120.0° |
| CAT | CAS | CAI | H6 | 61.7° | 54.2° |
| CAS | CAI | CAJ | NAH | 122.8° | 119.6° |
| CAS | CAI | CAJ | H6 | 120.8° | 120.8° |
| CAS | CAI | NAH | H6 | 117.6° | 120.8° |
| CAS | CAI | CAJ | NAN | 8.5° | 119.4° |
| CAS | CAI | CAJ | NAK | 173.1° | 60.9° |
| CAS | CAI | NAH | CAG | 167.0° | 58.4° |
| CAI | CAS | H4 | H5 | 120.3° | 120.0° |
| CAJ | CAI | NAH | H6 | 117.1° | 119.6° |
| CAI | CAJ | NAN | NAK | 178.6° | 179.7° |
| CAI | CAJ | NAN | NAO | 178.5° | 178.0° |
| CAJ | CAI | NAH | CAG | 67.7° | 61.1° |
| CAI | CAJ | NAK | CAP | 177.4° | 177.5° |
| CAI | CAJ | NAK | CAE | 0.1° | 4.2° |
| CAJ | CAI | CAS | H4 | 63.3° | 55.0° |
| CAJ | CAI | CAS | H5 | 56.9° | 65.0° |
| NAH | CAI | CAJ | NAN | 114.2° | 121.0° |
| NAH | CAI | CAJ | NAK | 64.1° | 58.7° |
| CAI | NAH | CAG | CAQ | 179.3° | 178.8° |
| CAI | NAH | CAG | CAD | 6.4° | 1.2° |
| NAH | CAI | CAS | H4 | 176.1° | 173.3° |
| NAH | CAI | CAS | H5 | 63.7° | 53.3° |
| CAJ | NAN | NAO | CAP | 1.1° | 0.6° |
| NAN | CAJ | NAK | CAP | 1.1° | 2.2° |
| NAN | CAJ | NAK | CAE | 178.7° | 176.1° |
| NAN | CAJ | CAI | H6 | 129.3° | 1.4° |
| NAO | NAN | CAJ | NAK | 0.1° | 1.8° |
| NAN | NAO | CAP | NAK | 1.8° | 0.8° |
| NAN | NAO | CAP | CAR | 179.3° | 179.2° |
| CBE | CBD | NBC | H17 | 180.0° | 180.0° |
| CBD | CBE | CBB | H16 | 180.0° | 180.0° |
| CBE | CBD | NBC | CBA | 0.8° | 0.0° |
| CBD | CBE | CBB | CBA | 0.2° | 0.0° |
| CBD | CBE | CBB | CAQ | 179.3° | 180.0° |
| CBE | CBD | NBC | H18 | 179.2° | 180.0° |
| NBC | CBD | CBE | CBB | 0.6° | 0.0° |
| CBD | NBC | CBA | H18 | 180.0° | 180.0° |
| CBD | NBC | CBA | CBB | 0.7° | 0.0° |
| CBD | NBC | CBA | CAZ | 179.0° | 180.0° |
| NBC | CBD | CBE | H16 | 179.3° | 180.0° |
| CBE | CBB | CBA | NBC | 0.3° | 0.0° |
| CBE | CBB | CBA | CAQ | 179.6° | 180.0° |
| CBE | CBB | CAQ | CAG | 1.2° | 0.0° |
| CBE | CBB | CBA | CAZ | 178.8° | 180.0° |
| CBE | CBB | CAQ | CAX | 178.6° | 179.7° |
| CBB | CBE | CBD | H17 | 179.4° | 180.0° |
| CAJ | NAK | CAP | NAO | 1.9° | 1.8° |
| CAJ | NAK | CAP | CAE | 177.2° | 178.2° |
| CAJ | NAK | CAP | CAR | 179.3° | 178.2° |
| CAJ | NAK | CAE | CAD | 39.9° | 36.3° |
| CAJ | NAK | CAE | CAF | 139.4° | 143.4° |
| NAK | CAJ | CAI | H6 | 52.3° | 178.3° |
| NAH | CAG | CAQ | CBB | 44.2° | 114.9° |
| NAH | CAG | CAQ | CAD | 174.1° | 180.0° |
| NAH | CAG | CAQ | CAX | 136.1° | 65.4° |
| NAH | CAG | CAD | CAE | 35.9° | 41.8° |
| NAH | CAG | CAD | CAC | 144.5° | 140.3° |
| CAG | NAH | CAI | H6 | 49.4° | 179.3° |
| NAO | CAP | NAK | CAR | 178.9° | 180.0° |
| NAO | CAP | NAK | CAE | 179.1° | 176.4° |
| NAO | CAP | CAR | H7 | 0.0° | 90.0° |
| NAO | CAP | CAR | H8 | 120.0° | 150.0° |
| NAO | CAP | CAR | H9 | 120.0° | 30.0° |
| NBC | CBA | CBB | CAZ | 178.4° | 179.9° |
| NBC | CBA | CBB | CAQ | 179.9° | 180.0° |
| NBC | CBA | CAZ | CAY | 179.4° | 180.0° |
| CBA | NBC | CBD | H17 | 179.1° | 180.0° |
| NBC | CBA | CAZ | H19 | 0.6° | 0.0° |
| CBA | CBB | CAQ | CAG | 178.3° | 180.0° |
| CBA | CBB | CAQ | CAX | 2.0° | 0.3° |
| CBB | CBA | CAZ | CAY | 1.3° | 0.1° |
| CBA | CBB | CBE | H16 | 179.8° | 180.0° |
| CBB | CBA | NBC | H18 | 179.3° | 179.9° |
| CBB | CBA | CAZ | H19 | 178.7° | 180.0° |
| CBB | CAQ | CAG | CAX | 179.7° | 179.7° |
| CBB | CAQ | CAG | CAD | 141.7° | 65.1° |
| CAQ | CBB | CBA | CAZ | 1.6° | 0.0° |
| CBB | CAQ | CAX | CAY | 2.1° | 0.6° |
| CAQ | CBB | CBE | H16 | 0.7° | 0.0° |
| CBB | CAQ | CAX | H21 | 177.9° | 179.7° |
| CAQ | CAG | CAD | CAE | 137.8° | 138.1° |
| CAQ | CAG | CAD | CAC | 41.7° | 39.8° |
| CAG | CAQ | CAX | CAY | 178.2° | 179.7° |
| CAG | CAQ | CAX | H21 | 1.8° | 0.0° |
| CAG | CAD | CAE | NAK | 0.3° | 4.5° |
| CAD | CAG | CAQ | CAX | 38.0° | 114.6° |
| CAG | CAD | CAE | CAC | 179.5° | 177.9° |
| CAG | CAD | CAE | CAF | 179.6° | 175.8° |
| CAG | CAD | CAC | CAB | 179.6° | 176.5° |
| CAG | CAD | CAC | H15 | 0.4° | 3.5° |
| CAP | NAK | CAE | CAD | 136.9° | 145.8° |
| CAP | NAK | CAE | CAF | 43.8° | 34.5° |
| NAK | CAP | CAR | H7 | 178.7° | 90.0° |
| NAK | CAP | CAR | H8 | 61.2° | 29.9° |
| NAK | CAP | CAR | H9 | 58.8° | 150.0° |
| CAE | NAK | CAP | CAR | 2.1° | 3.6° |
| NAK | CAE | CAD | CAF | 179.2° | 179.7° |
| NAK | CAE | CAD | CAC | 179.8° | 177.6° |
| NAK | CAE | CAF | CAA | 179.3° | 178.4° |
| NAK | CAE | CAF | H10 | 0.7° | 1.6° |
| CAP | CAR | H7 | H8 | 120.0° | 120.0° |
| CAP | CAR | H7 | H9 | 120.0° | 120.0° |
| CAP | CAR | H8 | H9 | 120.0° | 120.1° |
| CBA | CAZ | CAY | H19 | 180.0° | 180.0° |
| CBA | CAZ | CAY | CAX | 1.4° | 0.2° |
| CAZ | CBA | NBC | H18 | 1.0° | 0.0° |
| CBA | CAZ | CAY | H20 | 178.6° | 180.0° |
| CAQ | CAX | CAY | CAZ | 1.8° | 0.5° |
| CAQ | CAX | CAY | H21 | 180.0° | 179.8° |
| CAQ | CAX | CAY | H20 | 178.2° | 179.7° |
| CAD | CAE | CAF | CAA | 1.4° | 1.3° |
| CAE | CAD | CAC | CAB | 0.1° | 1.5° |
| CAD | CAE | CAF | H10 | 178.6° | 178.7° |
| CAE | CAD | CAC | H15 | 179.9° | 178.5° |
| CAC | CAD | CAE | CAF | 0.9° | 2.1° |
| CAD | CAC | CAB | H15 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.3° | 0.1° |
| CAD | CAC | CAB | OAL | 179.6° | 179.9° |
| CAE | CAF | CAA | H10 | 180.0° | 179.9° |
| CAE | CAF | CAA | CAB | 1.0° | 0.1° |
| CAE | CAF | CAA | H11 | 179.0° | 179.8° |
| CAZ | CAY | CAX | H20 | 180.0° | 179.8° |
| CAZ | CAY | CAX | H21 | 178.2° | 179.7° |
| CAF | CAA | CAB | CAC | 0.2° | 0.7° |
| CAF | CAA | CAB | H11 | 180.0° | 179.9° |
| CAF | CAA | CAB | OAL | 179.9° | 179.2° |
| CAC | CAB | CAA | OAL | 179.9° | 180.0° |
| CAC | CAB | OAL | CAM | 170.6° | 180.0° |
| CAC | CAB | CAA | H11 | 179.8° | 179.2° |
| CAX | CAY | CAZ | H19 | 178.6° | 179.8° |
| CAA | CAB | OAL | CAM | 9.5° | 0.0° |
| CAB | CAA | CAF | H10 | 179.0° | 179.9° |
| CAA | CAB | CAC | H15 | 179.7° | 179.9° |
| OAL | CAB | CAA | H11 | 0.1° | 0.8° |
| CAB | OAL | CAM | H12 | 180.0° | 60.0° |
| CAB | OAL | CAM | H13 | 60.0° | 60.0° |
| CAB | OAL | CAM | H14 | 60.0° | 180.0° |
| OAL | CAB | CAC | H15 | 0.4° | 0.0° |
| OAL | CAM | H12 | H13 | 120.0° | 120.0° |
| OAL | CAM | H12 | H14 | 120.0° | 120.0° |
| OAL | CAM | H13 | H14 | 120.0° | 120.0° |
| H1 | CAW | H2 | H3 | 120.0° | 120.0° |
| H4 | CAS | CAI | H6 | 58.2° | 65.8° |
| H5 | CAS | CAI | H6 | 178.4° | 174.2° |
| H7 | CAR | H8 | H9 | 120.0° | 119.9° |
| H10 | CAF | CAA | H11 | 1.0° | 0.2° |
| H12 | CAM | H13 | H14 | 120.0° | 119.9° |
| H16 | CBE | CBD | H17 | 0.7° | 0.0° |
| H17 | CBD | NBC | H18 | 0.8° | 0.0° |
| H19 | CAZ | CAY | H20 | 1.4° | 0.0° |
| H20 | CAY | CAX | H21 | 1.8° | 0.1° |
