57Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAU | sing | 1.36Å | 1.42Å | |
| CAU | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAU | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAW | NAQ | sing | 1.40Å | 1.46Å | |
| NAQ | CAS | sing | 1.35Å | 1.45Å | |
| SAF | CAS | doub | 1.71Å | 1.68Å | |
| CAA | CAT | sing | 1.51Å | 1.52Å | |
| CAS | NBB | sing | 1.35Å | 1.45Å | |
| CAT | CAL | doub | 1.37Å | 1.24Å | Aromatic |
| CAT | CAK | sing | 1.39Å | 1.24Å | Aromatic |
| CAL | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| CAZ | CAM | sing | 1.46Å | 1.44Å | |
| CAZ | CBA | doub | 1.41Å | 1.57Å | Aromatic |
| CAM | CAX | doub | 1.36Å | 1.39Å | |
| NBB | CAP | sing | 1.47Å | 1.45Å | |
| NBB | CAO | sing | 1.47Å | 1.45Å | |
| CAV | CBA | sing | 1.39Å | 1.55Å | Aromatic |
| CAV | CAB | sing | 1.51Å | 1.54Å | |
| CAP | CAX | sing | 1.51Å | 1.55Å | |
| CAX | CAY | sing | 1.41Å | 1.48Å | |
| CBA | NAR | sing | 1.38Å | 1.42Å | |
| CAY | NAR | sing | 1.34Å | 1.40Å | |
| CAY | OAC | doub | 1.22Å | 1.40Å | |
| CAO | CAN | sing | 1.53Å | 1.54Å | |
| CAN | OAD | sing | 1.43Å | 1.42Å | |
| NAR | H1 | sing | 0.97Å | 1.00Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| OAD | H17 | sing | 0.97Å | 0.95Å | |
| NAQ | H18 | sing | 0.97Å | 1.00Å | |
| CAI | H19 | sing | 1.08Å | 1.08Å | |
| CAG | H20 | sing | 1.08Å | 1.08Å | |
| OAE | H21 | sing | 0.97Å | 0.95Å | |
| CAH | H22 | sing | 1.08Å | 1.08Å | |
| CAJ | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAU | CAH | 119.9° | 120.0° |
| OAE | CAU | CAG | 120.0° | 120.0° |
| CAU | OAE | H21 | 109.5° | 114.0° |
| CAH | CAU | CAG | 120.1° | 120.0° |
| CAU | CAH | CAJ | 120.0° | 120.0° |
| CAU | CAH | H22 | 120.0° | 120.0° |
| CAU | CAG | CAI | 120.0° | 120.0° |
| CAU | CAG | H20 | 120.0° | 120.0° |
| CAH | CAJ | CAW | 120.1° | 120.0° |
| CAJ | CAH | H22 | 120.0° | 120.0° |
| CAH | CAJ | H23 | 120.0° | 120.0° |
| CAG | CAI | CAW | 120.2° | 120.0° |
| CAG | CAI | H19 | 119.9° | 120.0° |
| CAI | CAG | H20 | 120.1° | 120.0° |
| CAJ | CAW | CAI | 119.7° | 120.0° |
| CAJ | CAW | NAQ | 122.2° | 120.0° |
| CAW | CAJ | H23 | 120.0° | 120.0° |
| CAI | CAW | NAQ | 118.1° | 120.0° |
| CAW | CAI | H19 | 119.9° | 120.0° |
| CAW | NAQ | CAS | 127.3° | 120.1° |
| CAW | NAQ | H18 | 116.3° | 120.0° |
| NAQ | CAS | SAF | 124.2° | 119.9° |
| NAQ | CAS | NBB | 116.2° | 120.1° |
| CAS | NAQ | H18 | 116.4° | 119.9° |
| SAF | CAS | NBB | 119.6° | 120.0° |
| CAA | CAT | CAL | 117.4° | 119.7° |
| CAA | CAT | CAK | 116.3° | 119.7° |
| CAT | CAA | H6 | 109.5° | 109.5° |
| CAT | CAA | H7 | 109.5° | 109.5° |
| CAT | CAA | H8 | 109.5° | 109.5° |
| CAS | NBB | CAP | 118.7° | 120.0° |
| CAS | NBB | CAO | 121.0° | 120.0° |
| CAL | CAT | CAK | 126.3° | 120.6° |
| CAT | CAL | CAZ | 122.9° | 119.7° |
| CAT | CAL | H9 | 118.5° | 120.2° |
| CAT | CAK | CAV | 120.2° | 120.7° |
| CAT | CAK | H5 | 119.9° | 119.7° |
| CAL | CAZ | CAM | 122.4° | 121.1° |
| CAL | CAZ | CBA | 122.3° | 119.9° |
| CAZ | CAL | H9 | 118.5° | 120.1° |
| CAK | CAV | CBA | 125.4° | 119.7° |
| CAK | CAV | CAB | 117.9° | 120.1° |
| CAV | CAK | H5 | 119.9° | 119.6° |
| CAM | CAZ | CBA | 115.3° | 119.0° |
| CAZ | CAM | CAX | 122.9° | 118.5° |
| CAZ | CAM | H10 | 118.5° | 120.8° |
| CAZ | CBA | CAV | 102.9° | 119.4° |
| CAZ | CBA | NAR | 119.3° | 119.7° |
| CAM | CAX | CAP | 121.5° | 119.9° |
| CAM | CAX | CAY | 119.4° | 120.2° |
| CAX | CAM | H10 | 118.6° | 120.7° |
| CAP | NBB | CAO | 120.3° | 120.0° |
| NBB | CAP | CAX | 110.7° | 109.5° |
| NBB | CAP | H11 | 109.2° | 109.5° |
| NBB | CAP | H12 | 109.1° | 109.5° |
| NBB | CAO | CAN | 110.0° | 109.5° |
| NBB | CAO | H13 | 109.4° | 109.4° |
| NBB | CAO | H14 | 109.3° | 109.4° |
| CBA | CAV | CAB | 116.6° | 120.1° |
| CAV | CBA | NAR | 137.8° | 121.0° |
| CAV | CAB | H2 | 109.5° | 109.4° |
| CAV | CAB | H3 | 109.5° | 109.5° |
| CAV | CAB | H4 | 109.5° | 109.4° |
| CAP | CAX | CAY | 118.8° | 119.9° |
| CAX | CAP | H11 | 109.1° | 109.5° |
| CAX | CAP | H12 | 109.2° | 109.5° |
| CAX | CAY | NAR | 120.4° | 121.6° |
| CAX | CAY | OAC | 119.3° | 119.2° |
| CBA | NAR | CAY | 120.8° | 120.9° |
| CBA | NAR | H1 | 119.6° | 119.5° |
| NAR | CAY | OAC | 120.3° | 119.2° |
| CAY | NAR | H1 | 119.6° | 119.5° |
| CAO | CAN | OAD | 109.7° | 109.5° |
| CAN | CAO | H13 | 109.3° | 109.5° |
| CAN | CAO | H14 | 109.4° | 109.5° |
| CAO | CAN | H15 | 109.4° | 109.5° |
| CAO | CAN | H16 | 109.4° | 109.4° |
| OAD | CAN | H15 | 109.4° | 109.5° |
| OAD | CAN | H16 | 109.4° | 109.5° |
| CAN | OAD | H17 | 109.5° | 114.0° |
| H2 | CAB | H3 | 109.4° | 109.6° |
| H2 | CAB | H4 | 109.5° | 109.5° |
| H3 | CAB | H4 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.4° | 109.4° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H11 | CAP | H12 | 109.5° | 109.5° |
| H13 | CAO | H14 | 109.4° | 109.5° |
| H15 | CAN | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAU | CAH | CAG | 179.7° | 179.8° |
| OAE | CAU | CAH | CAJ | 179.5° | 180.0° |
| OAE | CAU | CAG | CAI | 179.9° | 179.7° |
| OAE | CAU | CAG | H20 | 0.1° | 0.2° |
| OAE | CAU | CAH | H22 | 0.5° | 0.2° |
| CAU | CAH | CAJ | H22 | 180.0° | 179.9° |
| CAH | CAU | CAG | CAI | 0.2° | 0.1° |
| CAU | CAH | CAJ | CAW | 0.9° | 0.4° |
| CAH | CAU | CAG | H20 | 179.8° | 180.0° |
| CAH | CAU | OAE | H21 | 180.0° | 90.0° |
| CAU | CAH | CAJ | H23 | 179.1° | 180.0° |
| CAG | CAU | CAH | CAJ | 0.2° | 0.1° |
| CAU | CAG | CAI | H20 | 180.0° | 179.9° |
| CAU | CAG | CAI | CAW | 0.0° | 0.1° |
| CAU | CAG | CAI | H19 | 180.0° | 180.0° |
| CAG | CAU | OAE | H21 | 0.2° | 89.8° |
| CAG | CAU | CAH | H22 | 179.8° | 180.0° |
| CAH | CAJ | CAW | H23 | 180.0° | 179.6° |
| CAH | CAJ | CAW | CAI | 1.1° | 0.4° |
| CAH | CAJ | CAW | NAQ | 179.9° | 179.8° |
| CAG | CAI | CAW | CAJ | 0.7° | 0.2° |
| CAG | CAI | CAW | H19 | 180.0° | 180.0° |
| CAG | CAI | CAW | NAQ | 179.7° | 180.0° |
| CAJ | CAW | CAI | NAQ | 179.0° | 179.8° |
| CAJ | CAW | NAQ | CAS | 39.9° | 42.0° |
| CAJ | CAW | NAQ | H18 | 140.1° | 138.0° |
| CAJ | CAW | CAI | H19 | 179.3° | 179.8° |
| CAW | CAJ | CAH | H22 | 179.1° | 179.7° |
| CAI | CAW | NAQ | CAS | 141.1° | 138.2° |
| CAI | CAW | NAQ | H18 | 38.9° | 41.8° |
| CAW | CAI | CAG | H20 | 180.0° | 180.0° |
| CAI | CAW | CAJ | H23 | 178.9° | 180.0° |
| CAW | NAQ | CAS | H18 | 180.0° | 180.0° |
| CAW | NAQ | CAS | SAF | 0.0° | 5.5° |
| CAW | NAQ | CAS | NBB | 179.5° | 174.5° |
| NAQ | CAW | CAI | H19 | 0.3° | 0.0° |
| NAQ | CAW | CAJ | H23 | 0.0° | 0.2° |
| NAQ | CAS | SAF | NBB | 179.4° | 180.0° |
| NAQ | CAS | NBB | CAP | 0.3° | 180.0° |
| NAQ | CAS | NBB | CAO | 179.9° | 0.0° |
| SAF | CAS | NBB | CAP | 179.8° | 0.0° |
| SAF | CAS | NBB | CAO | 0.6° | 180.0° |
| SAF | CAS | NAQ | H18 | 180.0° | 174.5° |
| CAA | CAT | CAL | CAK | 180.0° | 180.0° |
| CAA | CAT | CAL | CAZ | 180.0° | 180.0° |
| CAA | CAT | CAK | CAV | 180.0° | 180.0° |
| CAA | CAT | CAK | H5 | 0.0° | 0.1° |
| CAT | CAA | H6 | H7 | 120.0° | 120.1° |
| CAT | CAA | H6 | H8 | 120.0° | 119.9° |
| CAT | CAA | H7 | H8 | 120.0° | 120.0° |
| CAA | CAT | CAL | H9 | 0.0° | 0.1° |
| CAS | NBB | CAP | CAO | 179.6° | 180.0° |
| CAS | NBB | CAP | CAX | 83.0° | 90.0° |
| CAS | NBB | CAO | CAN | 80.2° | 90.0° |
| CAS | NBB | CAP | H11 | 37.2° | 150.0° |
| CAS | NBB | CAP | H12 | 156.8° | 30.0° |
| CAS | NBB | CAO | H13 | 39.8° | 30.0° |
| CAS | NBB | CAO | H14 | 159.7° | 150.0° |
| NBB | CAS | NAQ | H18 | 0.5° | 5.5° |
| CAT | CAL | CAZ | H9 | 180.0° | 180.0° |
| CAL | CAT | CAK | CAV | 0.0° | 0.1° |
| CAT | CAL | CAZ | CAM | 179.8° | 180.0° |
| CAT | CAL | CAZ | CBA | 0.1° | 0.0° |
| CAL | CAT | CAK | H5 | 180.0° | 180.0° |
| CAL | CAT | CAA | H6 | 90.0° | 90.0° |
| CAL | CAT | CAA | H7 | 150.0° | 150.0° |
| CAL | CAT | CAA | H8 | 30.0° | 29.9° |
| CAK | CAT | CAL | CAZ | 0.0° | 0.0° |
| CAT | CAK | CAV | H5 | 180.0° | 179.9° |
| CAT | CAK | CAV | CBA | 0.1° | 0.1° |
| CAT | CAK | CAV | CAB | 179.8° | 180.0° |
| CAK | CAT | CAA | H6 | 90.0° | 90.1° |
| CAK | CAT | CAA | H7 | 30.1° | 30.0° |
| CAK | CAT | CAA | H8 | 150.0° | 150.0° |
| CAK | CAT | CAL | H9 | 180.0° | 180.0° |
| CAL | CAZ | CAM | CBA | 179.8° | 180.0° |
| CAL | CAZ | CAM | CAX | 168.3° | 179.8° |
| CAL | CAZ | CBA | CAV | 0.1° | 0.0° |
| CAL | CAZ | CBA | NAR | 180.0° | 179.9° |
| CAL | CAZ | CAM | H10 | 11.6° | 0.0° |
| CAK | CAV | CBA | CAZ | 0.1° | 0.0° |
| CAK | CAV | CBA | CAB | 179.9° | 180.0° |
| CAK | CAV | CBA | NAR | 180.0° | 179.9° |
| CAK | CAV | CAB | H2 | 89.9° | 90.0° |
| CAK | CAV | CAB | H3 | 150.1° | 30.1° |
| CAK | CAV | CAB | H4 | 30.1° | 150.0° |
| CAZ | CAM | CAX | H10 | 180.0° | 179.8° |
| CAM | CAZ | CBA | CAV | 179.9° | 180.0° |
| CAZ | CAM | CAX | CAP | 171.4° | 180.0° |
| CAZ | CAM | CAX | CAY | 13.6° | 0.5° |
| CAM | CAZ | CBA | NAR | 0.2° | 0.1° |
| CAM | CAZ | CAL | H9 | 0.2° | 0.0° |
| CBA | CAZ | CAM | CAX | 11.8° | 0.3° |
| CAZ | CBA | CAV | NAR | 179.9° | 179.9° |
| CAZ | CBA | CAV | CAB | 179.8° | 180.0° |
| CAZ | CBA | NAR | CAY | 9.6° | 0.1° |
| CAZ | CBA | NAR | H1 | 170.4° | 180.0° |
| CBA | CAZ | CAL | H9 | 180.0° | 180.0° |
| CBA | CAZ | CAM | H10 | 168.2° | 180.0° |
| CAM | CAX | CAP | NBB | 11.0° | 95.0° |
| CAM | CAX | CAP | CAY | 175.0° | 179.5° |
| CAM | CAX | CAY | NAR | 3.2° | 0.5° |
| CAM | CAX | CAY | OAC | 176.9° | 179.7° |
| CAM | CAX | CAP | H11 | 109.1° | 145.0° |
| CAM | CAX | CAP | H12 | 131.2° | 25.0° |
| NBB | CAP | CAX | H11 | 120.2° | 120.0° |
| NBB | CAP | CAX | H12 | 120.2° | 120.0° |
| NBB | CAP | CAX | CAY | 163.9° | 85.5° |
| CAP | NBB | CAO | CAN | 99.3° | 90.0° |
| NBB | CAP | H11 | H12 | 119.4° | 120.0° |
| CAP | NBB | CAO | H13 | 140.6° | 150.0° |
| CAP | NBB | CAO | H14 | 20.8° | 30.1° |
| CAO | NBB | CAP | CAX | 97.5° | 90.1° |
| NBB | CAO | CAN | H13 | 120.1° | 120.0° |
| NBB | CAO | CAN | H14 | 120.1° | 120.0° |
| NBB | CAO | CAN | OAD | 140.8° | 65.0° |
| CAO | NBB | CAP | H11 | 142.4° | 30.0° |
| CAO | NBB | CAP | H12 | 22.7° | 150.0° |
| NBB | CAO | H13 | H14 | 119.8° | 119.9° |
| NBB | CAO | CAN | H15 | 20.7° | 175.0° |
| NBB | CAO | CAN | H16 | 99.2° | 55.0° |
| CAV | CBA | NAR | CAY | 170.3° | 180.0° |
| CAV | CBA | NAR | H1 | 9.7° | 0.1° |
| CBA | CAV | CAB | H2 | 90.0° | 90.0° |
| CBA | CAV | CAB | H3 | 30.0° | 150.0° |
| CBA | CAV | CAB | H4 | 150.0° | 30.0° |
| CBA | CAV | CAK | H5 | 180.0° | 180.0° |
| CAB | CAV | CBA | NAR | 0.1° | 0.1° |
| CAV | CAB | H2 | H3 | 120.0° | 120.0° |
| CAV | CAB | H2 | H4 | 120.0° | 119.9° |
| CAV | CAB | H3 | H4 | 120.0° | 119.9° |
| CAB | CAV | CAK | H5 | 0.2° | 0.1° |
| CAP | CAX | CAY | NAR | 178.2° | 180.0° |
| CAP | CAX | CAY | OAC | 1.8° | 0.2° |
| CAP | CAX | CAM | H10 | 8.5° | 0.2° |
| CAX | CAP | H11 | H12 | 119.4° | 120.0° |
| CAX | CAY | NAR | CBA | 8.4° | 0.1° |
| CAX | CAY | NAR | OAC | 180.0° | 179.8° |
| CAX | CAY | NAR | H1 | 171.7° | 179.7° |
| CAY | CAX | CAM | H10 | 166.4° | 179.7° |
| CAY | CAX | CAP | H11 | 75.9° | 34.5° |
| CAY | CAX | CAP | H12 | 43.8° | 154.5° |
| CBA | NAR | CAY | H1 | 180.0° | 179.9° |
| CBA | NAR | CAY | OAC | 171.6° | 180.0° |
| OAC | CAY | NAR | H1 | 8.4° | 0.1° |
| CAO | CAN | OAD | H15 | 120.0° | 120.0° |
| CAO | CAN | OAD | H16 | 120.0° | 120.0° |
| CAN | CAO | H13 | H14 | 119.8° | 120.0° |
| CAO | CAN | H15 | H16 | 119.9° | 120.0° |
| CAO | CAN | OAD | H17 | 180.0° | 180.0° |
| OAD | CAN | CAO | H13 | 99.1° | 55.0° |
| OAD | CAN | CAO | H14 | 20.7° | 175.0° |
| OAD | CAN | H15 | H16 | 119.9° | 120.0° |
| H2 | CAB | H3 | H4 | 120.0° | 120.1° |
| H6 | CAA | H7 | H8 | 120.0° | 119.9° |
| H13 | CAO | CAN | H15 | 140.8° | 65.0° |
| H13 | CAO | CAN | H16 | 20.9° | 175.0° |
| H14 | CAO | CAN | H15 | 99.4° | 55.0° |
| H14 | CAO | CAN | H16 | 140.7° | 65.0° |
| H15 | CAN | OAD | H17 | 60.0° | 60.0° |
| H16 | CAN | OAD | H17 | 60.0° | 60.0° |
| H19 | CAI | CAG | H20 | 0.0° | 0.0° |
| H22 | CAH | CAJ | H23 | 0.9° | 0.2° |
