639
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAT | CBG | doub | 1.32Å | 1.39Å | Aromatic |
| NAT | CBE | sing | 1.33Å | 1.37Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CBD | sing | 1.39Å | 1.42Å | Aromatic |
| NAV | CBE | sing | 1.38Å | 1.40Å | |
| NAV | CBD | sing | 1.39Å | 1.42Å | |
| CBG | NAU | sing | 1.32Å | 1.41Å | Aromatic |
| CAG | CBA | sing | 1.40Å | 1.39Å | Aromatic |
| CBE | NAS | doub | 1.33Å | 1.32Å | Aromatic |
| CBD | CAH | doub | 1.39Å | 1.44Å | Aromatic |
| NAU | CBF | doub | 1.33Å | 1.40Å | Aromatic |
| CBA | CAE | sing | 1.43Å | 1.44Å | |
| CBA | CAF | doub | 1.40Å | 1.43Å | Aromatic |
| NAS | CBF | sing | 1.33Å | 1.35Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| CAE | NAD | trip | 1.14Å | 1.16Å | |
| CBF | NAW | sing | 1.38Å | 1.27Å | |
| NAW | CBH | sing | 1.40Å | 1.42Å | |
| CAB | CBB | sing | 1.51Å | 1.52Å | |
| CBH | CBB | doub | 1.40Å | 1.41Å | Aromatic |
| CBH | CBC | sing | 1.38Å | 1.42Å | Aromatic |
| CBB | CAJ | sing | 1.36Å | 1.41Å | Aromatic |
| CAC | CBC | sing | 1.51Å | 1.53Å | |
| CBC | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAZ | doub | 1.41Å | 1.41Å | Aromatic |
| CAK | CAZ | sing | 1.42Å | 1.42Å | Aromatic |
| CAK | CCA | sing | 1.41Å | 1.41Å | Aromatic |
| CAZ | CAA | sing | 1.40Å | 1.42Å | Aromatic |
| CCA | CCB | doub | 1.36Å | 1.40Å | Aromatic |
| CAA | CCC | doub | 1.39Å | 1.41Å | Aromatic |
| CCB | CCC | sing | 1.41Å | 1.40Å | Aromatic |
| CCC | CCD | sing | 1.43Å | 1.45Å | |
| CCD | NAB | trip | 1.14Å | 1.15Å | |
| NAW | H1 | sing | 0.97Å | 1.00Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| NAV | H4 | sing | 0.97Å | 1.00Å | |
| CBG | H5 | sing | 1.08Å | 1.08Å | |
| CCA | H6 | sing | 1.08Å | 1.08Å | |
| CCB | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBG | NAT | CBE | 116.9° | 120.1° |
| NAT | CBG | NAU | 122.6° | 120.2° |
| NAT | CBG | H5 | 118.7° | 119.9° |
| NAT | CBE | NAV | 118.5° | 120.0° |
| NAT | CBE | NAS | 122.0° | 119.9° |
| CAG | CAI | CBD | 121.5° | 120.1° |
| CAI | CAG | CBA | 122.3° | 119.9° |
| CAI | CAG | H2 | 118.8° | 120.0° |
| CAG | CAI | H15 | 119.3° | 119.9° |
| CAI | CBD | NAV | 122.5° | 119.9° |
| CAI | CBD | CAH | 115.7° | 120.1° |
| CBD | CAI | H15 | 119.3° | 120.0° |
| CBE | NAV | CBD | 136.3° | 120.0° |
| NAV | CBE | NAS | 119.5° | 120.0° |
| CBE | NAV | H4 | 111.8° | 120.0° |
| NAV | CBD | CAH | 121.9° | 119.9° |
| CBD | NAV | H4 | 111.9° | 120.0° |
| CBG | NAU | CBF | 115.5° | 120.1° |
| NAU | CBG | H5 | 118.7° | 119.9° |
| CAG | CBA | CAE | 119.6° | 120.1° |
| CAG | CBA | CAF | 119.5° | 119.9° |
| CBA | CAG | H2 | 118.9° | 120.1° |
| CBE | NAS | CBF | 122.1° | 119.8° |
| CBD | CAH | CAF | 123.3° | 120.1° |
| CBD | CAH | H16 | 118.3° | 120.0° |
| NAU | CBF | NAS | 120.9° | 119.9° |
| NAU | CBF | NAW | 130.8° | 120.0° |
| CAE | CBA | CAF | 120.9° | 120.1° |
| CBA | CAE | NAD | 176.5° | 180.0° |
| CBA | CAF | CAH | 117.7° | 119.9° |
| CBA | CAF | H17 | 121.1° | 120.1° |
| NAS | CBF | NAW | 108.3° | 120.0° |
| CAF | CAH | H16 | 118.4° | 119.9° |
| CAH | CAF | H17 | 121.1° | 120.1° |
| CBF | NAW | CBH | 134.6° | 120.0° |
| CBF | NAW | H1 | 112.7° | 120.0° |
| NAW | CBH | CBB | 112.2° | 119.7° |
| NAW | CBH | CBC | 127.8° | 119.6° |
| CBH | NAW | H1 | 112.7° | 120.0° |
| CAB | CBB | CBH | 120.7° | 119.6° |
| CAB | CBB | CAJ | 119.2° | 119.5° |
| CBB | CAB | H9 | 109.5° | 109.5° |
| CBB | CAB | H10 | 109.5° | 109.4° |
| CBB | CAB | H11 | 109.4° | 109.5° |
| CBB | CBH | CBC | 119.9° | 120.7° |
| CBH | CBB | CAJ | 120.2° | 120.9° |
| CBH | CBC | CAC | 121.1° | 120.3° |
| CBH | CBC | CAK | 119.4° | 119.5° |
| CBB | CAJ | CAZ | 120.2° | 119.9° |
| CBB | CAJ | H3 | 119.9° | 120.1° |
| CAC | CBC | CAK | 119.5° | 120.2° |
| CBC | CAC | H12 | 109.5° | 109.4° |
| CBC | CAC | H13 | 109.5° | 109.4° |
| CBC | CAC | H14 | 109.5° | 109.5° |
| CBC | CAK | CAZ | 120.5° | 119.3° |
| CBC | CAK | CCA | 120.7° | 120.9° |
| CAJ | CAZ | CAK | 119.7° | 119.6° |
| CAJ | CAZ | CAA | 120.1° | 120.9° |
| CAZ | CAJ | H3 | 119.9° | 120.1° |
| CAZ | CAK | CCA | 118.7° | 119.7° |
| CAK | CAZ | CAA | 120.1° | 119.4° |
| CAK | CCA | CCB | 120.7° | 120.0° |
| CAK | CCA | H6 | 119.6° | 120.0° |
| CAZ | CAA | CCC | 120.4° | 119.5° |
| CAZ | CAA | H8 | 119.8° | 120.3° |
| CCA | CCB | CCC | 121.0° | 120.9° |
| CCB | CCA | H6 | 119.6° | 120.0° |
| CCA | CCB | H7 | 119.5° | 119.6° |
| CAA | CCC | CCB | 119.0° | 120.5° |
| CAA | CCC | CCD | 120.9° | 119.7° |
| CCC | CAA | H8 | 119.8° | 120.2° |
| CCB | CCC | CCD | 120.1° | 119.8° |
| CCC | CCB | H7 | 119.5° | 119.6° |
| CCC | CCD | NAB | 178.1° | 179.9° |
| H9 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAB | H11 | 109.4° | 109.5° |
| H10 | CAB | H11 | 109.5° | 109.4° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H12 | CAC | H14 | 109.4° | 109.4° |
| H13 | CAC | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBG | NAT | CBE | NAV | 180.0° | 180.0° |
| NAT | CBG | NAU | H5 | 180.0° | 179.9° |
| CBG | NAT | CBE | NAS | 0.1° | 0.1° |
| NAT | CBG | NAU | CBF | 0.2° | 0.1° |
| NAT | CBE | NAV | NAS | 179.9° | 179.9° |
| NAT | CBE | NAV | CBD | 166.6° | 5.6° |
| CBE | NAT | CBG | NAU | 0.0° | 0.0° |
| NAT | CBE | NAS | CBF | 0.3° | 0.1° |
| NAT | CBE | NAV | H4 | 13.4° | 174.4° |
| CBE | NAT | CBG | H5 | 180.0° | 179.9° |
| CAG | CAI | CBD | H15 | 180.0° | 180.0° |
| CAG | CAI | CBD | NAV | 179.9° | 179.7° |
| CAI | CAG | CBA | H2 | 180.0° | 179.2° |
| CAG | CAI | CBD | CAH | 0.2° | 0.0° |
| CAI | CAG | CBA | CAE | 179.9° | 179.3° |
| CAI | CAG | CBA | CAF | 0.0° | 0.8° |
| CAI | CBD | NAV | CBE | 162.6° | 146.0° |
| CAI | CBD | NAV | CAH | 179.7° | 179.8° |
| CBD | CAI | CAG | CBA | 0.1° | 0.5° |
| CAI | CBD | CAH | CAF | 0.2° | 0.2° |
| CBD | CAI | CAG | H2 | 179.9° | 179.7° |
| CAI | CBD | NAV | H4 | 17.4° | 33.9° |
| CAI | CBD | CAH | H16 | 179.8° | 179.7° |
| CBE | NAV | CBD | H4 | 180.0° | 180.0° |
| CBE | NAV | CBD | CAH | 17.7° | 33.8° |
| NAV | CBE | NAS | CBF | 179.8° | 180.0° |
| CBD | NAV | CBE | NAS | 13.4° | 174.3° |
| NAV | CBD | CAH | CAF | 179.9° | 179.9° |
| NAV | CBD | CAI | H15 | 0.1° | 0.2° |
| NAV | CBD | CAH | H16 | 0.1° | 0.1° |
| CBG | NAU | CBF | NAS | 0.4° | 0.0° |
| CBG | NAU | CBF | NAW | 179.2° | 180.0° |
| CAG | CBA | CAE | CAF | 179.9° | 180.0° |
| CAG | CBA | CAF | CAH | 0.0° | 0.6° |
| CAG | CBA | CAE | NAD | 51.5° | 116.5° |
| CBA | CAG | CAI | H15 | 179.9° | 179.5° |
| CAG | CBA | CAF | H17 | 180.0° | 180.0° |
| CBE | NAS | CBF | NAU | 0.4° | 0.0° |
| CBE | NAS | CBF | NAW | 179.5° | 179.9° |
| NAS | CBE | NAV | H4 | 166.6° | 5.7° |
| CBD | CAH | CAF | CBA | 0.1° | 0.1° |
| CBD | CAH | CAF | H16 | 180.0° | 179.9° |
| CAH | CBD | NAV | H4 | 162.3° | 146.3° |
| CAH | CBD | CAI | H15 | 179.8° | 180.0° |
| CBD | CAH | CAF | H17 | 179.9° | 179.5° |
| NAU | CBF | NAS | NAW | 179.1° | 180.0° |
| NAU | CBF | NAW | CBH | 171.1° | 4.9° |
| NAU | CBF | NAW | H1 | 8.9° | 175.2° |
| CBF | NAU | CBG | H5 | 179.8° | 180.0° |
| CAE | CBA | CAF | CAH | 179.9° | 179.5° |
| CAE | CBA | CAG | H2 | 0.0° | 0.0° |
| CAE | CBA | CAF | H17 | 0.1° | 0.1° |
| CBA | CAF | CAH | H17 | 180.0° | 179.4° |
| CAF | CBA | CAE | NAD | 128.4° | 63.5° |
| CAF | CBA | CAG | H2 | 180.0° | 180.0° |
| CBA | CAF | CAH | H16 | 179.9° | 180.0° |
| NAS | CBF | NAW | CBH | 7.9° | 175.2° |
| NAS | CBF | NAW | H1 | 172.1° | 4.8° |
| CBF | NAW | CBH | H1 | 180.0° | 179.9° |
| CBF | NAW | CBH | CBB | 108.0° | 116.9° |
| CBF | NAW | CBH | CBC | 72.1° | 63.0° |
| NAW | CBH | CBB | CAB | 0.1° | 0.1° |
| NAW | CBH | CBB | CBC | 179.9° | 179.9° |
| NAW | CBH | CBB | CAJ | 179.9° | 180.0° |
| NAW | CBH | CBC | CAC | 0.1° | 0.3° |
| NAW | CBH | CBC | CAK | 179.8° | 180.0° |
| CAB | CBB | CBH | CAJ | 180.0° | 180.0° |
| CAB | CBB | CBH | CBC | 180.0° | 180.0° |
| CAB | CBB | CAJ | CAZ | 179.9° | 180.0° |
| CAB | CBB | CAJ | H3 | 0.1° | 0.0° |
| CBB | CAB | H9 | H10 | 120.0° | 120.0° |
| CBB | CAB | H9 | H11 | 120.0° | 120.0° |
| CBB | CAB | H10 | H11 | 120.0° | 120.0° |
| CBB | CBH | CBC | CAC | 179.9° | 179.8° |
| CBB | CBH | CBC | CAK | 0.1° | 0.0° |
| CBH | CBB | CAJ | CAZ | 0.1° | 0.0° |
| CBB | CBH | NAW | H1 | 72.0° | 63.0° |
| CBH | CBB | CAJ | H3 | 179.9° | 180.0° |
| CBH | CBB | CAB | H9 | 90.0° | 84.7° |
| CBH | CBB | CAB | H10 | 150.0° | 35.3° |
| CBH | CBB | CAB | H11 | 30.0° | 155.3° |
| CBC | CBH | CBB | CAJ | 0.0° | 0.0° |
| CBH | CBC | CAC | CAK | 179.9° | 179.7° |
| CBH | CBC | CAK | CAZ | 0.1° | 0.0° |
| CBH | CBC | CAK | CCA | 179.9° | 179.9° |
| CBC | CBH | NAW | H1 | 107.9° | 117.1° |
| CBH | CBC | CAC | H12 | 89.9° | 84.4° |
| CBH | CBC | CAC | H13 | 150.1° | 35.6° |
| CBH | CBC | CAC | H14 | 30.1° | 155.7° |
| CBB | CAJ | CAZ | H3 | 180.0° | 179.9° |
| CBB | CAJ | CAZ | CAK | 0.1° | 0.1° |
| CBB | CAJ | CAZ | CAA | 179.9° | 180.0° |
| CAJ | CBB | CAB | H9 | 90.0° | 95.3° |
| CAJ | CBB | CAB | H10 | 30.0° | 144.7° |
| CAJ | CBB | CAB | H11 | 150.0° | 24.7° |
| CAC | CBC | CAK | CAZ | 179.9° | 179.7° |
| CAC | CBC | CAK | CCA | 0.2° | 0.3° |
| CBC | CAC | H12 | H13 | 120.0° | 120.0° |
| CBC | CAC | H12 | H14 | 120.0° | 120.0° |
| CBC | CAC | H13 | H14 | 120.0° | 120.1° |
| CBC | CAK | CAZ | CAJ | 0.0° | 0.1° |
| CBC | CAK | CAZ | CCA | 179.9° | 180.0° |
| CBC | CAK | CAZ | CAA | 180.0° | 180.0° |
| CBC | CAK | CCA | CCB | 179.9° | 180.0° |
| CBC | CAK | CCA | H6 | 0.1° | 0.0° |
| CAK | CBC | CAC | H12 | 89.9° | 95.9° |
| CAK | CBC | CAC | H13 | 30.1° | 144.1° |
| CAK | CBC | CAC | H14 | 150.1° | 24.0° |
| CAJ | CAZ | CAK | CAA | 180.0° | 179.9° |
| CAJ | CAZ | CAK | CCA | 179.8° | 179.9° |
| CAJ | CAZ | CAA | CCC | 180.0° | 179.9° |
| CAJ | CAZ | CAA | H8 | 0.0° | 0.1° |
| CAZ | CAK | CCA | CCB | 0.2° | 0.1° |
| CAK | CAZ | CAA | CCC | 0.0° | 0.0° |
| CAK | CAZ | CAJ | H3 | 179.9° | 180.0° |
| CAZ | CAK | CCA | H6 | 179.8° | 180.0° |
| CAK | CAZ | CAA | H8 | 179.9° | 180.0° |
| CCA | CAK | CAZ | CAA | 0.1° | 0.0° |
| CAK | CCA | CCB | H6 | 180.0° | 179.9° |
| CAK | CCA | CCB | CCC | 0.1° | 0.1° |
| CAK | CCA | CCB | H7 | 179.9° | 180.0° |
| CAZ | CAA | CCC | H8 | 180.0° | 180.0° |
| CAZ | CAA | CCC | CCB | 0.1° | 0.1° |
| CAZ | CAA | CCC | CCD | 179.8° | 180.0° |
| CAA | CAZ | CAJ | H3 | 0.1° | 0.1° |
| CCA | CCB | CCC | CAA | 0.1° | 0.1° |
| CCA | CCB | CCC | H7 | 180.0° | 179.9° |
| CCA | CCB | CCC | CCD | 179.7° | 180.0° |
| CAA | CCC | CCB | CCD | 179.6° | 179.9° |
| CAA | CCC | CCD | NAB | 38.3° | 107.5° |
| CAA | CCC | CCB | H7 | 179.9° | 180.0° |
| CCB | CCC | CCD | NAB | 141.3° | 72.6° |
| CCC | CCB | CCA | H6 | 179.9° | 179.9° |
| CCB | CCC | CAA | H8 | 179.8° | 179.9° |
| CCD | CCC | CCB | H7 | 0.3° | 0.1° |
| CCD | CCC | CAA | H8 | 0.2° | 0.0° |
| H2 | CAG | CAI | H15 | 0.1° | 0.3° |
| H6 | CCA | CCB | H7 | 0.1° | 0.0° |
| H9 | CAB | H10 | H11 | 120.0° | 120.0° |
| H12 | CAC | H13 | H14 | 120.0° | 120.0° |
| H16 | CAH | CAF | H17 | 0.1° | 0.6° |
