2RT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAT | CBG | doub | 1.32Å | 1.37Å | Aromatic |
| NAT | CBE | sing | 1.33Å | 1.36Å | Aromatic |
| CAH | CBD | doub | 1.39Å | 1.43Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| NAV | CBE | sing | 1.38Å | 1.41Å | |
| NAV | CBD | sing | 1.39Å | 1.42Å | |
| CBG | NAU | sing | 1.32Å | 1.35Å | Aromatic |
| CBE | NAS | doub | 1.33Å | 1.34Å | Aromatic |
| CBD | CAI | sing | 1.39Å | 1.42Å | Aromatic |
| CAF | CBA | doub | 1.40Å | 1.43Å | Aromatic |
| NAU | CBF | doub | 1.33Å | 1.33Å | Aromatic |
| NAS | CBF | sing | 1.33Å | 1.34Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CBA | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CBA | CAE | sing | 1.43Å | 1.45Å | |
| CBF | NAW | sing | 1.38Å | 1.39Å | |
| CAE | NAD | trip | 1.14Å | 1.15Å | |
| NAW | CBH | sing | 1.40Å | 1.40Å | |
| CAB | CBB | sing | 1.51Å | 1.52Å | |
| CBH | CBB | doub | 1.39Å | 1.43Å | Aromatic |
| CBH | CBC | sing | 1.39Å | 1.43Å | Aromatic |
| CBB | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CBC | CAC | sing | 1.51Å | 1.53Å | |
| CBC | CAK | doub | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAZ | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAZ | sing | 1.38Å | 1.41Å | Aromatic |
| CAZ | CAA | sing | 1.51Å | 1.52Å | |
| NAV | H1 | sing | 0.97Å | 1.00Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CBG | H6 | sing | 1.08Å | 1.08Å | |
| NAW | H7 | sing | 0.97Å | 1.00Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBG | NAT | CBE | 116.5° | 120.1° |
| NAT | CBG | NAU | 123.5° | 120.2° |
| NAT | CBG | H6 | 118.2° | 119.9° |
| NAT | CBE | NAV | 117.5° | 120.0° |
| NAT | CBE | NAS | 120.4° | 119.9° |
| CBD | CAH | CAF | 121.7° | 120.1° |
| CAH | CBD | NAV | 125.7° | 120.0° |
| CAH | CBD | CAI | 116.8° | 120.2° |
| CBD | CAH | H2 | 119.1° | 120.0° |
| CAH | CAF | CBA | 119.4° | 119.9° |
| CAF | CAH | H2 | 119.2° | 120.0° |
| CAH | CAF | H3 | 120.3° | 120.0° |
| CBE | NAV | CBD | 133.2° | 120.0° |
| NAV | CBE | NAS | 122.1° | 120.0° |
| CBE | NAV | H1 | 113.4° | 120.0° |
| NAV | CBD | CAI | 117.5° | 119.9° |
| CBD | NAV | H1 | 113.4° | 120.0° |
| CBG | NAU | CBF | 117.5° | 120.1° |
| NAU | CBG | H6 | 118.2° | 119.9° |
| CBE | NAS | CBF | 121.0° | 119.8° |
| CBD | CAI | CAG | 122.0° | 120.1° |
| CBD | CAI | H5 | 119.0° | 119.9° |
| CAF | CBA | CAG | 119.7° | 119.8° |
| CAF | CBA | CAE | 119.7° | 120.1° |
| CBA | CAF | H3 | 120.3° | 120.1° |
| NAU | CBF | NAS | 121.1° | 119.9° |
| NAU | CBF | NAW | 119.3° | 120.1° |
| NAS | CBF | NAW | 119.7° | 120.0° |
| CAI | CAG | CBA | 120.4° | 119.9° |
| CAI | CAG | H4 | 119.8° | 120.1° |
| CAG | CAI | H5 | 119.0° | 120.0° |
| CAG | CBA | CAE | 120.6° | 120.1° |
| CBA | CAG | H4 | 119.8° | 120.0° |
| CBA | CAE | NAD | 175.3° | 180.0° |
| CBF | NAW | CBH | 119.5° | 120.0° |
| CBF | NAW | H7 | 120.3° | 120.0° |
| NAW | CBH | CBB | 118.0° | 120.1° |
| NAW | CBH | CBC | 123.1° | 120.1° |
| CBH | NAW | H7 | 120.2° | 120.0° |
| CAB | CBB | CBH | 122.0° | 120.1° |
| CAB | CBB | CAJ | 117.4° | 120.0° |
| CBB | CAB | H8 | 109.5° | 109.5° |
| CBB | CAB | H9 | 109.5° | 109.5° |
| CBB | CAB | H10 | 109.5° | 109.4° |
| CBB | CBH | CBC | 118.9° | 119.9° |
| CBH | CBB | CAJ | 120.6° | 119.9° |
| CBH | CBC | CAC | 122.9° | 120.1° |
| CBH | CBC | CAK | 119.5° | 119.9° |
| CBB | CAJ | CAZ | 120.4° | 120.1° |
| CBB | CAJ | H11 | 119.8° | 119.9° |
| CAC | CBC | CAK | 117.6° | 120.0° |
| CBC | CAC | H16 | 109.5° | 109.4° |
| CBC | CAC | H17 | 109.5° | 109.5° |
| CBC | CAC | H18 | 109.5° | 109.4° |
| CBC | CAK | CAZ | 121.3° | 120.1° |
| CBC | CAK | H15 | 119.4° | 119.9° |
| CAJ | CAZ | CAK | 119.3° | 120.1° |
| CAJ | CAZ | CAA | 119.6° | 119.9° |
| CAZ | CAJ | H11 | 119.8° | 120.0° |
| CAK | CAZ | CAA | 121.1° | 120.0° |
| CAZ | CAK | H15 | 119.3° | 120.0° |
| CAZ | CAA | H12 | 109.5° | 109.5° |
| CAZ | CAA | H13 | 109.5° | 109.5° |
| CAZ | CAA | H14 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.5° | 109.5° |
| H8 | CAB | H10 | 109.5° | 109.4° |
| H9 | CAB | H10 | 109.5° | 109.5° |
| H12 | CAA | H13 | 109.4° | 109.4° |
| H12 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.4° |
| H16 | CAC | H17 | 109.5° | 109.5° |
| H16 | CAC | H18 | 109.5° | 109.4° |
| H17 | CAC | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBG | NAT | CBE | NAV | 179.9° | 179.9° |
| NAT | CBG | NAU | H6 | 180.0° | 180.0° |
| CBG | NAT | CBE | NAS | 0.9° | 0.1° |
| NAT | CBG | NAU | CBF | 0.2° | 0.0° |
| NAT | CBE | NAV | NAS | 179.2° | 179.9° |
| NAT | CBE | NAV | CBD | 173.4° | 5.6° |
| CBE | NAT | CBG | NAU | 0.5° | 0.0° |
| NAT | CBE | NAS | CBF | 0.9° | 0.1° |
| NAT | CBE | NAV | H1 | 6.7° | 174.1° |
| CBE | NAT | CBG | H6 | 179.5° | 180.0° |
| CBD | CAH | CAF | H2 | 180.0° | 180.0° |
| CAH | CBD | NAV | CBE | 179.7° | 145.9° |
| CAH | CBD | NAV | CAI | 180.0° | 179.8° |
| CBD | CAH | CAF | CBA | 0.4° | 0.0° |
| CAH | CBD | CAI | CAG | 0.1° | 0.5° |
| CAH | CBD | NAV | H1 | 0.3° | 33.7° |
| CBD | CAH | CAF | H3 | 179.6° | 180.0° |
| CAH | CBD | CAI | H5 | 179.9° | 179.7° |
| CAF | CAH | CBD | NAV | 179.7° | 179.9° |
| CAF | CAH | CBD | CAI | 0.3° | 0.3° |
| CAH | CAF | CBA | H3 | 180.0° | 180.0° |
| CAH | CAF | CBA | CAG | 0.3° | 0.0° |
| CAH | CAF | CBA | CAE | 179.9° | 180.0° |
| CBE | NAV | CBD | H1 | 180.0° | 179.6° |
| CBE | NAV | CBD | CAI | 0.3° | 33.9° |
| NAV | CBE | NAS | CBF | 179.9° | 180.0° |
| CBD | NAV | CBE | NAS | 7.4° | 174.3° |
| NAV | CBD | CAI | CAG | 179.9° | 179.7° |
| NAV | CBD | CAH | H2 | 0.3° | 0.0° |
| NAV | CBD | CAI | H5 | 0.2° | 0.1° |
| CBG | NAU | CBF | NAS | 0.2° | 0.1° |
| CBG | NAU | CBF | NAW | 180.0° | 180.0° |
| CBE | NAS | CBF | NAU | 0.6° | 0.1° |
| CBE | NAS | CBF | NAW | 179.6° | 180.0° |
| NAS | CBE | NAV | H1 | 172.6° | 6.1° |
| CBD | CAI | CAG | H5 | 180.0° | 179.8° |
| CBD | CAI | CAG | CBA | 0.1° | 0.5° |
| CAI | CBD | NAV | H1 | 179.7° | 146.5° |
| CAI | CBD | CAH | H2 | 179.7° | 179.8° |
| CBD | CAI | CAG | H4 | 179.9° | 179.6° |
| CAF | CBA | CAG | CAI | 0.2° | 0.2° |
| CAF | CBA | CAG | CAE | 179.6° | 180.0° |
| CAF | CBA | CAE | NAD | 68.5° | 168.0° |
| CBA | CAF | CAH | H2 | 179.6° | 180.0° |
| CAF | CBA | CAG | H4 | 179.8° | 179.9° |
| NAU | CBF | NAS | NAW | 179.8° | 179.9° |
| NAU | CBF | NAW | CBH | 162.1° | 5.4° |
| CBF | NAU | CBG | H6 | 179.8° | 180.0° |
| NAU | CBF | NAW | H7 | 17.9° | 174.6° |
| NAS | CBF | NAW | CBH | 17.7° | 174.6° |
| NAS | CBF | NAW | H7 | 162.3° | 5.3° |
| CAI | CAG | CBA | H4 | 180.0° | 179.9° |
| CAI | CAG | CBA | CAE | 179.7° | 179.7° |
| CAG | CBA | CAE | NAD | 111.9° | 12.0° |
| CAG | CBA | CAF | H3 | 179.7° | 180.0° |
| CBA | CAG | CAI | H5 | 179.9° | 179.7° |
| CAE | CBA | CAF | H3 | 0.1° | 0.0° |
| CAE | CBA | CAG | H4 | 0.3° | 0.1° |
| CBF | NAW | CBH | H7 | 180.0° | 179.9° |
| CBF | NAW | CBH | CBB | 97.6° | 119.1° |
| CBF | NAW | CBH | CBC | 81.8° | 61.2° |
| NAW | CBH | CBB | CAB | 0.6° | 0.0° |
| NAW | CBH | CBB | CBC | 179.4° | 179.7° |
| NAW | CBH | CBB | CAJ | 179.6° | 180.0° |
| NAW | CBH | CBC | CAC | 0.7° | 0.0° |
| NAW | CBH | CBC | CAK | 179.5° | 179.7° |
| CAB | CBB | CBH | CAJ | 179.8° | 180.0° |
| CAB | CBB | CBH | CBC | 180.0° | 179.7° |
| CAB | CBB | CAJ | CAZ | 180.0° | 180.0° |
| CBB | CAB | H8 | H9 | 120.0° | 120.1° |
| CBB | CAB | H8 | H10 | 120.0° | 119.9° |
| CBB | CAB | H9 | H10 | 120.0° | 120.0° |
| CAB | CBB | CAJ | H11 | 0.1° | 0.0° |
| CBB | CBH | CBC | CAC | 179.9° | 179.7° |
| CBB | CBH | CBC | CAK | 0.1° | 0.5° |
| CBH | CBB | CAJ | CAZ | 0.2° | 0.0° |
| CBB | CBH | NAW | H7 | 82.4° | 60.9° |
| CBH | CBB | CAB | H8 | 90.1° | 89.9° |
| CBH | CBB | CAB | H9 | 149.9° | 150.0° |
| CBH | CBB | CAB | H10 | 29.9° | 30.0° |
| CBH | CBB | CAJ | H11 | 179.8° | 180.0° |
| CBC | CBH | CBB | CAJ | 0.3° | 0.3° |
| CBH | CBC | CAC | CAK | 179.8° | 179.8° |
| CBH | CBC | CAK | CAZ | 0.1° | 0.5° |
| CBC | CBH | NAW | H7 | 98.2° | 118.9° |
| CBH | CBC | CAK | H15 | 179.9° | 179.8° |
| CBH | CBC | CAC | H16 | 89.9° | 96.7° |
| CBH | CBC | CAC | H17 | 150.1° | 143.2° |
| CBH | CBC | CAC | H18 | 30.1° | 23.2° |
| CBB | CAJ | CAZ | H11 | 180.0° | 179.9° |
| CBB | CAJ | CAZ | CAK | 0.0° | 0.1° |
| CBB | CAJ | CAZ | CAA | 179.9° | 180.0° |
| CAJ | CBB | CAB | H8 | 90.1° | 90.0° |
| CAJ | CBB | CAB | H9 | 29.9° | 30.0° |
| CAJ | CBB | CAB | H10 | 149.9° | 150.1° |
| CAC | CBC | CAK | CAZ | 179.7° | 179.7° |
| CAC | CBC | CAK | H15 | 0.3° | 0.0° |
| CBC | CAC | H16 | H17 | 120.0° | 120.1° |
| CBC | CAC | H16 | H18 | 120.0° | 119.9° |
| CBC | CAC | H17 | H18 | 120.0° | 120.0° |
| CBC | CAK | CAZ | CAJ | 0.2° | 0.2° |
| CBC | CAK | CAZ | H15 | 180.0° | 179.7° |
| CBC | CAK | CAZ | CAA | 179.9° | 179.7° |
| CAK | CBC | CAC | H16 | 89.9° | 83.1° |
| CAK | CBC | CAC | H17 | 30.1° | 37.0° |
| CAK | CBC | CAC | H18 | 150.0° | 157.0° |
| CAJ | CAZ | CAK | CAA | 179.9° | 179.9° |
| CAJ | CAZ | CAA | H12 | 90.0° | 90.0° |
| CAJ | CAZ | CAA | H13 | 150.1° | 150.0° |
| CAJ | CAZ | CAA | H14 | 30.1° | 30.1° |
| CAJ | CAZ | CAK | H15 | 179.8° | 179.9° |
| CAK | CAZ | CAJ | H11 | 179.9° | 180.0° |
| CAK | CAZ | CAA | H12 | 89.9° | 89.9° |
| CAK | CAZ | CAA | H13 | 30.1° | 30.1° |
| CAK | CAZ | CAA | H14 | 150.0° | 150.0° |
| CAA | CAZ | CAJ | H11 | 0.0° | 0.1° |
| CAZ | CAA | H12 | H13 | 120.0° | 120.0° |
| CAZ | CAA | H12 | H14 | 120.0° | 120.1° |
| CAZ | CAA | H13 | H14 | 120.0° | 120.0° |
| CAA | CAZ | CAK | H15 | 0.1° | 0.0° |
| H2 | CAH | CAF | H3 | 0.4° | 0.0° |
| H4 | CAG | CAI | H5 | 0.1° | 0.2° |
| H8 | CAB | H9 | H10 | 120.0° | 120.0° |
| H12 | CAA | H13 | H14 | 120.0° | 120.0° |
| H16 | CAC | H17 | H18 | 120.0° | 120.0° |
