GZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | SAN | doub | 1.42Å | 1.47Å | |
| CAI | NAH | doub | 1.30Å | 1.35Å | Aromatic |
| CAI | CAJ | sing | 1.41Å | 1.34Å | Aromatic |
| NAH | NAG | sing | 1.40Å | 1.36Å | Aromatic |
| OAA | CAB | doub | 1.22Å | 1.24Å | |
| CAJ | CAB | sing | 1.46Å | 1.38Å | |
| CAJ | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| SAN | CAY | sing | 1.83Å | 1.80Å | |
| SAN | OAZ | doub | 1.42Å | 1.50Å | |
| SAN | CAM | sing | 1.83Å | 1.82Å | |
| CAY | CAK | sing | 1.54Å | 1.54Å | |
| CAB | NAC | sing | 1.35Å | 1.45Å | |
| NAG | CAF | sing | 1.36Å | 1.33Å | Aromatic |
| NAG | CAK | sing | 1.47Å | 1.45Å | |
| CAF | NAE | sing | 1.34Å | 1.33Å | |
| CAM | CAL | sing | 1.55Å | 1.49Å | |
| CAK | CAL | sing | 1.54Å | 1.53Å | |
| NAC | CAP | sing | 1.47Å | 1.51Å | |
| NAC | CAD | sing | 1.36Å | 1.44Å | |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAQ | sing | 1.38Å | 1.36Å | Aromatic |
| CAP | CAQ | sing | 1.51Å | 1.48Å | |
| CAV | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| NAE | CAD | doub | 1.30Å | 1.34Å | |
| CAQ | CAR | doub | 1.38Å | 1.42Å | Aromatic |
| CAW | CL2 | sing | 1.74Å | 1.73Å | |
| CAW | CAS | doub | 1.38Å | 1.36Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CL1 | sing | 1.74Å | 1.72Å | |
| CAL | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAY | H5 | sing | 1.09Å | 1.10Å | |
| CAY | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.08Å | 1.08Å | |
| CAV | H13 | sing | 1.08Å | 1.08Å | |
| CAU | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | SAN | CAY | 110.3° | 109.4° |
| OAO | SAN | OAZ | 117.9° | 119.8° |
| OAO | SAN | CAM | 104.4° | 109.5° |
| NAH | CAI | CAJ | 110.2° | 108.4° |
| CAI | NAH | NAG | 106.8° | 109.5° |
| NAH | CAI | H8 | 124.9° | 125.8° |
| CAI | CAJ | CAB | 134.0° | 134.6° |
| CAI | CAJ | CAF | 106.2° | 107.2° |
| CAJ | CAI | H8 | 124.9° | 125.8° |
| NAH | NAG | CAF | 108.8° | 108.3° |
| NAH | NAG | CAK | 130.8° | 125.8° |
| OAA | CAB | CAJ | 122.0° | 121.2° |
| OAA | CAB | NAC | 119.2° | 121.3° |
| CAB | CAJ | CAF | 119.7° | 118.1° |
| CAJ | CAB | NAC | 118.8° | 117.5° |
| CAJ | CAF | NAG | 107.9° | 106.6° |
| CAJ | CAF | NAE | 122.6° | 119.2° |
| CAY | SAN | OAZ | 110.0° | 109.4° |
| CAY | SAN | CAM | 102.0° | 97.0° |
| SAN | CAY | CAK | 95.7° | 105.1° |
| SAN | CAY | H5 | 112.8° | 110.3° |
| SAN | CAY | H6 | 112.8° | 110.3° |
| OAZ | SAN | CAM | 110.9° | 109.3° |
| SAN | CAM | CAL | 93.0° | 102.6° |
| SAN | CAM | H3 | 113.4° | 110.8° |
| SAN | CAM | H4 | 113.4° | 111.0° |
| CAY | CAK | NAG | 109.2° | 109.7° |
| CAY | CAK | CAL | 111.4° | 108.7° |
| CAK | CAY | H5 | 112.8° | 110.3° |
| CAK | CAY | H6 | 112.8° | 110.3° |
| CAY | CAK | H7 | 107.6° | 109.6° |
| CAB | NAC | CAP | 120.9° | 119.9° |
| CAB | NAC | CAD | 116.6° | 120.3° |
| CAF | NAG | CAK | 120.3° | 125.9° |
| NAG | CAF | NAE | 129.4° | 134.2° |
| NAG | CAK | CAL | 112.1° | 109.8° |
| NAG | CAK | H7 | 108.7° | 109.5° |
| CAF | NAE | CAD | 120.5° | 121.9° |
| CAM | CAL | CAK | 102.8° | 106.7° |
| CAM | CAL | H1 | 111.1° | 110.1° |
| CAM | CAL | H2 | 111.1° | 110.0° |
| CAL | CAM | H3 | 113.4° | 110.8° |
| CAL | CAM | H4 | 113.4° | 110.8° |
| CAK | CAL | H1 | 111.1° | 110.0° |
| CAK | CAL | H2 | 111.1° | 110.0° |
| CAL | CAK | H7 | 107.7° | 109.6° |
| CAP | NAC | CAD | 122.4° | 119.8° |
| NAC | CAP | CAQ | 101.7° | 109.5° |
| NAC | CAP | H10 | 111.4° | 109.4° |
| NAC | CAP | H11 | 111.4° | 109.4° |
| NAC | CAD | NAE | 121.6° | 123.0° |
| NAC | CAD | H9 | 119.2° | 118.5° |
| CAV | CAU | CAQ | 120.3° | 120.0° |
| CAU | CAV | CAW | 120.0° | 120.0° |
| CAU | CAV | H13 | 120.0° | 120.0° |
| CAV | CAU | H14 | 119.8° | 120.0° |
| CAU | CAQ | CAP | 119.1° | 120.0° |
| CAU | CAQ | CAR | 119.8° | 120.1° |
| CAQ | CAU | H14 | 119.8° | 120.0° |
| CAP | CAQ | CAR | 121.0° | 120.0° |
| CAQ | CAP | H10 | 111.4° | 109.5° |
| CAQ | CAP | H11 | 111.4° | 109.5° |
| CAV | CAW | CL2 | 123.1° | 120.0° |
| CAV | CAW | CAS | 119.2° | 120.0° |
| CAW | CAV | H13 | 120.0° | 120.0° |
| NAE | CAD | H9 | 119.2° | 118.5° |
| CAQ | CAR | CAS | 119.1° | 120.0° |
| CAQ | CAR | H12 | 120.5° | 120.0° |
| CL2 | CAW | CAS | 117.6° | 120.0° |
| CAW | CAS | CAR | 121.5° | 120.0° |
| CAW | CAS | CL1 | 115.5° | 120.0° |
| CAR | CAS | CL1 | 122.9° | 120.0° |
| CAS | CAR | H12 | 120.4° | 120.0° |
| H1 | CAL | H2 | 109.5° | 110.0° |
| H3 | CAM | H4 | 109.5° | 110.7° |
| H5 | CAY | H6 | 109.4° | 110.4° |
| H10 | CAP | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | SAN | CAY | OAZ | 131.8° | 133.0° |
| OAO | SAN | CAY | CAM | 110.5° | 113.6° |
| OAO | SAN | OAZ | CAM | 120.3° | 127.5° |
| OAO | SAN | CAY | CAK | 119.2° | 115.6° |
| OAO | SAN | CAM | CAL | 154.4° | 90.2° |
| OAO | SAN | CAM | H3 | 88.5° | 28.0° |
| OAO | SAN | CAM | H4 | 37.2° | 151.4° |
| OAO | SAN | CAY | H5 | 1.5° | 3.2° |
| OAO | SAN | CAY | H6 | 123.1° | 125.5° |
| NAH | CAI | CAJ | H8 | 180.0° | 180.0° |
| NAH | CAI | CAJ | CAB | 179.3° | 180.0° |
| NAH | CAI | CAJ | CAF | 2.4° | 0.1° |
| CAI | NAH | NAG | CAF | 0.7° | 0.0° |
| CAI | NAH | NAG | CAK | 176.4° | 179.8° |
| CAJ | CAI | NAH | NAG | 1.2° | 0.1° |
| CAI | CAJ | CAB | OAA | 1.4° | 0.2° |
| CAI | CAJ | CAB | CAF | 176.5° | 179.9° |
| CAI | CAJ | CAB | NAC | 176.6° | 179.9° |
| CAI | CAJ | CAF | NAG | 2.8° | 0.0° |
| CAI | CAJ | CAF | NAE | 179.4° | 179.8° |
| NAH | NAG | CAF | CAJ | 2.1° | 0.0° |
| NAH | NAG | CAK | CAY | 39.6° | 59.7° |
| NAH | NAG | CAF | CAK | 177.5° | 179.7° |
| NAH | NAG | CAF | NAE | 178.4° | 179.7° |
| NAH | NAG | CAK | CAL | 84.3° | 59.6° |
| NAH | NAG | CAK | H7 | 156.8° | 180.0° |
| NAG | NAH | CAI | H8 | 178.8° | 180.0° |
| OAA | CAB | CAJ | NAC | 178.0° | 179.9° |
| OAA | CAB | CAJ | CAF | 177.9° | 180.0° |
| OAA | CAB | NAC | CAP | 1.4° | 0.1° |
| OAA | CAB | NAC | CAD | 179.1° | 179.8° |
| CAB | CAJ | CAF | NAG | 179.8° | 179.9° |
| CAB | CAJ | CAF | NAE | 3.3° | 0.3° |
| CAJ | CAB | NAC | CAP | 179.4° | 180.0° |
| CAJ | CAB | NAC | CAD | 2.9° | 0.1° |
| CAB | CAJ | CAI | H8 | 0.8° | 0.1° |
| CAF | CAJ | CAB | NAC | 0.1° | 0.1° |
| CAJ | CAF | NAG | NAE | 176.3° | 179.8° |
| CAJ | CAF | NAG | CAK | 175.3° | 179.7° |
| CAJ | CAF | NAE | CAD | 3.1° | 0.3° |
| CAF | CAJ | CAI | H8 | 177.6° | 180.0° |
| CAY | SAN | OAZ | CAM | 112.1° | 105.1° |
| SAN | CAY | CAK | H5 | 117.7° | 118.9° |
| SAN | CAY | CAK | H6 | 117.7° | 118.9° |
| SAN | CAY | CAK | NAG | 98.9° | 147.8° |
| CAY | SAN | CAM | CAL | 39.4° | 23.2° |
| SAN | CAY | CAK | CAL | 25.4° | 27.8° |
| CAY | SAN | CAM | H3 | 156.6° | 141.5° |
| CAY | SAN | CAM | H4 | 77.7° | 95.2° |
| SAN | CAY | H5 | H6 | 126.5° | 122.2° |
| SAN | CAY | CAK | H7 | 143.3° | 92.0° |
| OAZ | SAN | CAY | CAK | 109.0° | 111.3° |
| OAZ | SAN | CAM | CAL | 77.7° | 136.6° |
| OAZ | SAN | CAM | H3 | 39.5° | 105.1° |
| OAZ | SAN | CAM | H4 | 165.2° | 18.3° |
| OAZ | SAN | CAY | H5 | 133.3° | 129.8° |
| OAZ | SAN | CAY | H6 | 8.7° | 7.6° |
| CAM | SAN | CAY | CAK | 8.7° | 2.1° |
| SAN | CAM | CAL | H3 | 117.2° | 118.3° |
| SAN | CAM | CAL | H4 | 117.1° | 118.5° |
| SAN | CAM | CAL | CAK | 55.6° | 42.4° |
| SAN | CAM | CAL | H1 | 63.3° | 161.7° |
| SAN | CAM | CAL | H2 | 174.5° | 76.9° |
| SAN | CAM | H3 | H4 | 127.8° | 123.5° |
| CAM | SAN | CAY | H5 | 109.0° | 116.8° |
| CAM | SAN | CAY | H6 | 126.4° | 121.0° |
| CAY | CAK | NAG | CAF | 137.2° | 120.0° |
| CAY | CAK | NAG | CAL | 123.9° | 119.3° |
| CAY | CAK | NAG | H7 | 117.2° | 120.3° |
| CAY | CAK | CAL | CAM | 59.6° | 47.0° |
| CAY | CAK | CAL | H7 | 117.8° | 119.8° |
| CAY | CAK | CAL | H1 | 59.3° | 166.4° |
| CAY | CAK | CAL | H2 | 178.5° | 72.2° |
| CAK | CAY | H5 | H6 | 126.4° | 122.1° |
| CAB | NAC | CAP | CAD | 177.5° | 179.8° |
| CAB | NAC | CAP | CAQ | 82.8° | 90.0° |
| CAB | NAC | CAD | NAE | 3.2° | 0.2° |
| CAB | NAC | CAD | H9 | 176.8° | 179.8° |
| CAB | NAC | CAP | H10 | 35.9° | 150.0° |
| CAB | NAC | CAP | H11 | 158.4° | 30.0° |
| CAF | NAG | CAK | CAL | 98.9° | 120.7° |
| NAG | CAF | NAE | CAD | 178.9° | 180.0° |
| CAF | NAG | CAK | H7 | 20.0° | 0.3° |
| CAK | NAG | CAF | NAE | 0.9° | 0.0° |
| NAG | CAK | CAL | CAM | 63.0° | 167.0° |
| NAG | CAK | CAL | H7 | 119.5° | 120.3° |
| NAG | CAK | CAL | H1 | 178.1° | 73.6° |
| NAG | CAK | CAL | H2 | 55.9° | 47.7° |
| NAG | CAK | CAY | H5 | 18.8° | 28.9° |
| NAG | CAK | CAY | H6 | 143.4° | 93.3° |
| CAF | NAE | CAD | NAC | 0.3° | 0.1° |
| CAF | NAE | CAD | H9 | 179.8° | 180.0° |
| CAM | CAL | CAK | H1 | 118.9° | 119.4° |
| CAM | CAL | CAK | H2 | 118.9° | 119.3° |
| CAM | CAL | H1 | H2 | 123.1° | 121.4° |
| CAL | CAM | H3 | H4 | 127.8° | 123.3° |
| CAM | CAL | CAK | H7 | 177.5° | 72.7° |
| CAK | CAL | H1 | H2 | 123.1° | 121.3° |
| CAK | CAL | CAM | H3 | 172.7° | 160.7° |
| CAK | CAL | CAM | H4 | 61.6° | 76.1° |
| CAL | CAK | CAY | H5 | 143.1° | 91.1° |
| CAL | CAK | CAY | H6 | 92.3° | 146.7° |
| NAC | CAP | CAQ | CAU | 93.4° | 90.3° |
| NAC | CAP | CAQ | H10 | 118.7° | 120.0° |
| NAC | CAP | CAQ | H11 | 118.8° | 120.0° |
| CAP | NAC | CAD | NAE | 179.2° | 180.0° |
| NAC | CAP | CAQ | CAR | 85.0° | 90.0° |
| CAP | NAC | CAD | H9 | 0.8° | 0.0° |
| NAC | CAP | H10 | H11 | 123.6° | 119.9° |
| CAD | NAC | CAP | CAQ | 99.7° | 89.8° |
| NAC | CAD | NAE | H9 | 180.0° | 179.9° |
| CAD | NAC | CAP | H10 | 141.6° | 30.2° |
| CAD | NAC | CAP | H11 | 19.1° | 150.1° |
| CAV | CAU | CAQ | H14 | 180.0° | 179.6° |
| CAV | CAU | CAQ | CAP | 177.6° | 179.8° |
| CAU | CAV | CAW | H13 | 180.0° | 179.8° |
| CAV | CAU | CAQ | CAR | 0.8° | 0.5° |
| CAU | CAV | CAW | CL2 | 179.0° | 179.7° |
| CAU | CAV | CAW | CAS | 2.1° | 0.2° |
| CAU | CAQ | CAP | CAR | 178.4° | 179.7° |
| CAQ | CAU | CAV | CAW | 1.3° | 0.4° |
| CAU | CAQ | CAR | CAS | 1.1° | 0.2° |
| CAU | CAQ | CAP | H10 | 25.4° | 149.8° |
| CAU | CAQ | CAP | H11 | 147.9° | 29.7° |
| CAU | CAQ | CAR | H12 | 178.9° | 179.8° |
| CAQ | CAU | CAV | H13 | 178.7° | 179.7° |
| CAP | CAQ | CAR | CAS | 177.3° | 180.0° |
| CAQ | CAP | H10 | H11 | 123.6° | 120.1° |
| CAP | CAQ | CAR | H12 | 2.7° | 0.0° |
| CAP | CAQ | CAU | H14 | 2.4° | 0.2° |
| CAV | CAW | CL2 | CAS | 177.0° | 179.9° |
| CAV | CAW | CAS | CAR | 2.4° | 0.1° |
| CAV | CAW | CAS | CL1 | 179.1° | 180.0° |
| CAW | CAV | CAU | H14 | 178.7° | 180.0° |
| CAQ | CAR | CAS | CAW | 1.9° | 0.1° |
| CAQ | CAR | CAS | H12 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CL1 | 178.4° | 180.0° |
| CAR | CAQ | CAP | H10 | 156.2° | 30.0° |
| CAR | CAQ | CAP | H11 | 33.7° | 150.0° |
| CAR | CAQ | CAU | H14 | 179.2° | 180.0° |
| CL2 | CAW | CAS | CAR | 179.5° | 180.0° |
| CL2 | CAW | CAS | CL1 | 3.8° | 0.1° |
| CL2 | CAW | CAV | H13 | 1.0° | 0.1° |
| CAW | CAS | CAR | CL1 | 176.5° | 179.9° |
| CAW | CAS | CAR | H12 | 178.1° | 179.9° |
| CAS | CAW | CAV | H13 | 177.9° | 180.0° |
| CL1 | CAS | CAR | H12 | 1.6° | 0.0° |
| H1 | CAL | CAM | H3 | 53.8° | 80.0° |
| H1 | CAL | CAM | H4 | 179.5° | 43.2° |
| H1 | CAL | CAK | H7 | 58.5° | 46.7° |
| H2 | CAL | CAM | H3 | 68.4° | 41.4° |
| H2 | CAL | CAM | H4 | 57.3° | 164.6° |
| H2 | CAL | CAK | H7 | 63.6° | 168.0° |
| H5 | CAY | CAK | H7 | 99.0° | 149.1° |
| H6 | CAY | CAK | H7 | 25.6° | 27.0° |
| H13 | CAV | CAU | H14 | 1.3° | 0.2° |
