G02
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAD | CAF | doub | 1.32Å | 1.40Å | Aromatic |
| NAD | CAB | sing | 1.32Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | NAC | doub | 1.32Å | 1.39Å | Aromatic |
| CAA | NAC | sing | 1.33Å | 1.34Å | Aromatic |
| CAA | C2 | sing | 1.48Å | 1.39Å | |
| N1 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| NAP | C6 | sing | 1.38Å | 1.35Å | |
| NAP | CAQ | sing | 1.40Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.40Å | |
| CAQ | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.34Å | Aromatic |
| C5 | CAO | sing | 1.41Å | 1.33Å | Aromatic |
| C4 | NAM | sing | 1.36Å | 1.33Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | NAN | doub | 1.30Å | 1.33Å | Aromatic |
| NAM | CAR | sing | 1.47Å | 1.48Å | |
| NAM | NAN | sing | 1.40Å | 1.22Å | Aromatic |
| CAS | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAY | sing | 1.48Å | 1.41Å | |
| OBH | CAY | doub | 1.22Å | 1.23Å | |
| FBI | CBG | sing | 1.40Å | 1.12Å | |
| CAY | NAZ | sing | 1.35Å | 1.36Å | |
| NAZ | CBA | sing | 1.40Å | 1.37Å | |
| CBE | CBA | doub | 1.39Å | 1.41Å | Aromatic |
| CBE | CBC | sing | 1.38Å | 1.41Å | Aromatic |
| CBG | FBK | sing | 1.40Å | 1.13Å | |
| CBG | CBC | sing | 1.51Å | 1.44Å | |
| CBG | FBJ | sing | 1.40Å | 1.24Å | |
| CBA | CBF | sing | 1.39Å | 1.39Å | Aromatic |
| CBC | CBB | doub | 1.38Å | 1.40Å | Aromatic |
| CBF | CBD | doub | 1.38Å | 1.39Å | Aromatic |
| CBB | CBD | sing | 1.38Å | 1.40Å | Aromatic |
| CBE | H1 | sing | 1.08Å | 1.08Å | |
| CBB | H2 | sing | 1.08Å | 1.08Å | |
| CBD | H3 | sing | 1.08Å | 1.08Å | |
| CBF | H4 | sing | 1.08Å | 1.08Å | |
| NAZ | H5 | sing | 0.97Å | 1.00Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAU | H7 | sing | 1.08Å | 1.08Å | |
| CAV | H8 | sing | 1.08Å | 1.08Å | |
| CAX | H9 | sing | 1.09Å | 1.10Å | |
| CAX | H10 | sing | 1.09Å | 1.10Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| NAP | H12 | sing | 0.97Å | 1.00Å | |
| CAO | H13 | sing | 1.08Å | 1.08Å | |
| CAR | H14 | sing | 1.09Å | 1.10Å | |
| CAR | H15 | sing | 1.09Å | 1.10Å | |
| CAR | H16 | sing | 1.09Å | 1.10Å | |
| CAE | H17 | sing | 1.08Å | 1.08Å | |
| CAF | H18 | sing | 1.08Å | 1.08Å | |
| CAB | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | NAD | CAB | 118.6° | 120.1° |
| NAD | CAF | CAE | 120.7° | 120.2° |
| NAD | CAF | H18 | 119.7° | 119.9° |
| NAD | CAB | CAA | 119.7° | 119.8° |
| NAD | CAB | H19 | 120.1° | 120.1° |
| CAF | CAE | NAC | 119.3° | 120.1° |
| CAF | CAE | H17 | 120.4° | 120.0° |
| CAE | CAF | H18 | 119.6° | 119.9° |
| CAB | CAA | NAC | 121.4° | 119.8° |
| CAB | CAA | C2 | 118.8° | 120.1° |
| CAA | CAB | H19 | 120.1° | 120.1° |
| CAE | NAC | CAA | 120.4° | 119.9° |
| NAC | CAE | H17 | 120.4° | 119.9° |
| NAC | CAA | C2 | 119.9° | 120.1° |
| CAA | C2 | N1 | 119.5° | 118.8° |
| CAA | C2 | N3 | 120.8° | 118.8° |
| C2 | N1 | C6 | 121.3° | 121.1° |
| N1 | C2 | N3 | 119.6° | 122.4° |
| N1 | C6 | NAP | 117.3° | 120.8° |
| N1 | C6 | C5 | 119.3° | 118.5° |
| C2 | N3 | C4 | 119.1° | 120.7° |
| C6 | NAP | CAQ | 125.8° | 120.0° |
| NAP | C6 | C5 | 123.4° | 120.7° |
| C6 | NAP | H12 | 117.1° | 120.0° |
| NAP | CAQ | CAW | 117.0° | 120.0° |
| NAP | CAQ | CAT | 122.0° | 120.0° |
| CAQ | NAP | H12 | 117.1° | 120.0° |
| C6 | C5 | C4 | 119.1° | 118.4° |
| C6 | C5 | CAO | 136.1° | 134.6° |
| N3 | C4 | C5 | 121.6° | 118.9° |
| N3 | C4 | NAM | 130.3° | 134.6° |
| CAX | CAW | CAQ | 120.4° | 119.9° |
| CAX | CAW | CAV | 121.0° | 119.9° |
| CAW | CAX | H9 | 109.5° | 109.5° |
| CAW | CAX | H10 | 109.5° | 109.5° |
| CAW | CAX | H11 | 109.5° | 109.4° |
| CAW | CAQ | CAT | 120.9° | 120.0° |
| CAQ | CAW | CAV | 118.6° | 120.2° |
| CAQ | CAT | CAS | 121.3° | 119.7° |
| CAQ | CAT | H6 | 119.3° | 120.2° |
| CAW | CAV | CAU | 120.2° | 120.2° |
| CAW | CAV | H8 | 119.9° | 119.9° |
| C4 | C5 | CAO | 104.9° | 107.0° |
| C5 | C4 | NAM | 108.1° | 106.5° |
| C5 | CAO | NAN | 107.8° | 108.5° |
| C5 | CAO | H13 | 126.1° | 125.7° |
| C4 | NAM | CAR | 123.0° | 125.8° |
| C4 | NAM | NAN | 109.6° | 108.3° |
| CAT | CAS | CAU | 117.6° | 119.8° |
| CAT | CAS | CAY | 118.7° | 120.1° |
| CAS | CAT | H6 | 119.3° | 120.1° |
| CAV | CAU | CAS | 121.3° | 120.0° |
| CAV | CAU | H7 | 119.3° | 120.0° |
| CAU | CAV | H8 | 119.9° | 119.9° |
| CAO | NAN | NAM | 109.7° | 109.7° |
| NAN | CAO | H13 | 126.1° | 125.8° |
| CAR | NAM | NAN | 127.4° | 125.9° |
| NAM | CAR | H14 | 109.5° | 109.5° |
| NAM | CAR | H15 | 109.5° | 109.5° |
| NAM | CAR | H16 | 109.5° | 109.5° |
| CAU | CAS | CAY | 123.6° | 120.2° |
| CAS | CAU | H7 | 119.3° | 120.0° |
| CAS | CAY | OBH | 118.7° | 120.0° |
| CAS | CAY | NAZ | 117.1° | 120.0° |
| OBH | CAY | NAZ | 123.9° | 120.0° |
| FBI | CBG | FBK | 112.4° | 109.4° |
| FBI | CBG | CBC | 106.3° | 109.5° |
| FBI | CBG | FBJ | 113.3° | 109.5° |
| CAY | NAZ | CBA | 123.3° | 120.0° |
| CAY | NAZ | H5 | 118.4° | 120.0° |
| NAZ | CBA | CBE | 125.8° | 120.1° |
| NAZ | CBA | CBF | 116.9° | 120.0° |
| CBA | NAZ | H5 | 118.4° | 120.0° |
| CBA | CBE | CBC | 123.8° | 119.9° |
| CBE | CBA | CBF | 117.2° | 119.9° |
| CBA | CBE | H1 | 118.1° | 120.1° |
| CBE | CBC | CBG | 123.2° | 120.0° |
| CBE | CBC | CBB | 116.7° | 120.1° |
| CBC | CBE | H1 | 118.1° | 120.0° |
| FBK | CBG | CBC | 105.9° | 109.5° |
| FBK | CBG | FBJ | 111.6° | 109.5° |
| CBC | CBG | FBJ | 106.9° | 109.5° |
| CBG | CBC | CBB | 120.1° | 119.9° |
| CBA | CBF | CBD | 120.2° | 119.9° |
| CBA | CBF | H4 | 119.9° | 120.0° |
| CBC | CBB | CBD | 120.5° | 120.1° |
| CBC | CBB | H2 | 119.7° | 119.9° |
| CBF | CBD | CBB | 121.6° | 120.1° |
| CBF | CBD | H3 | 119.2° | 120.0° |
| CBD | CBF | H4 | 119.9° | 120.1° |
| CBD | CBB | H2 | 119.7° | 120.0° |
| CBB | CBD | H3 | 119.2° | 120.0° |
| H9 | CAX | H10 | 109.5° | 109.6° |
| H9 | CAX | H11 | 109.5° | 109.5° |
| H10 | CAX | H11 | 109.5° | 109.4° |
| H14 | CAR | H15 | 109.4° | 109.5° |
| H14 | CAR | H16 | 109.4° | 109.4° |
| H15 | CAR | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAD | CAF | CAE | H18 | 180.0° | 180.0° |
| CAF | NAD | CAB | CAA | 0.4° | 0.5° |
| NAD | CAF | CAE | NAC | 0.3° | 0.0° |
| NAD | CAF | CAE | H17 | 179.7° | 180.0° |
| CAF | NAD | CAB | H19 | 179.6° | 180.0° |
| CAB | NAD | CAF | CAE | 0.4° | 0.3° |
| NAD | CAB | CAA | H19 | 180.0° | 179.5° |
| NAD | CAB | CAA | NAC | 0.4° | 0.5° |
| NAD | CAB | CAA | C2 | 179.8° | 179.7° |
| CAB | NAD | CAF | H18 | 179.6° | 179.8° |
| CAF | CAE | NAC | H17 | 180.0° | 180.0° |
| CAF | CAE | NAC | CAA | 0.3° | 0.0° |
| CAB | CAA | NAC | CAE | 0.4° | 0.2° |
| CAB | CAA | NAC | C2 | 179.3° | 179.8° |
| CAB | CAA | C2 | N1 | 4.4° | 5.0° |
| CAB | CAA | C2 | N3 | 176.4° | 175.1° |
| CAE | NAC | CAA | C2 | 179.7° | 180.0° |
| NAC | CAE | CAF | H18 | 179.7° | 180.0° |
| NAC | CAA | C2 | N1 | 175.0° | 174.8° |
| NAC | CAA | C2 | N3 | 4.2° | 5.1° |
| CAA | NAC | CAE | H17 | 179.7° | 180.0° |
| NAC | CAA | CAB | H19 | 179.6° | 180.0° |
| CAA | C2 | N1 | N3 | 179.2° | 179.9° |
| CAA | C2 | N1 | C6 | 179.8° | 180.0° |
| CAA | C2 | N3 | C4 | 179.8° | 179.8° |
| C2 | CAA | CAB | H19 | 0.2° | 0.2° |
| C2 | N1 | C6 | NAP | 178.9° | 179.9° |
| C2 | N1 | C6 | C5 | 1.4° | 0.2° |
| N1 | C2 | N3 | C4 | 0.6° | 0.3° |
| C6 | N1 | C2 | N3 | 1.0° | 0.1° |
| N1 | C6 | NAP | C5 | 177.4° | 179.7° |
| N1 | C6 | NAP | CAQ | 159.9° | 7.0° |
| N1 | C6 | C5 | C4 | 1.4° | 0.2° |
| N1 | C6 | C5 | CAO | 179.8° | 179.8° |
| N1 | C6 | NAP | H12 | 20.1° | 173.1° |
| C2 | N3 | C4 | C5 | 0.7° | 0.3° |
| C2 | N3 | C4 | NAM | 179.6° | 179.7° |
| C6 | NAP | CAQ | H12 | 180.0° | 179.9° |
| C6 | NAP | CAQ | CAW | 104.9° | 156.3° |
| C6 | NAP | CAQ | CAT | 77.3° | 24.5° |
| NAP | C6 | C5 | C4 | 178.8° | 179.9° |
| NAP | C6 | C5 | CAO | 2.5° | 0.0° |
| CAQ | NAP | C6 | C5 | 22.7° | 173.3° |
| NAP | CAQ | CAW | CAX | 1.8° | 0.5° |
| NAP | CAQ | CAW | CAT | 177.8° | 179.2° |
| NAP | CAQ | CAW | CAV | 179.0° | 180.0° |
| NAP | CAQ | CAT | CAS | 179.4° | 179.7° |
| NAP | CAQ | CAT | H6 | 0.6° | 0.3° |
| C6 | C5 | C4 | N3 | 1.1° | 0.0° |
| C6 | C5 | C4 | CAO | 179.1° | 180.0° |
| C6 | C5 | C4 | NAM | 179.2° | 180.0° |
| C6 | C5 | CAO | NAN | 178.7° | 180.0° |
| C5 | C6 | NAP | H12 | 157.3° | 6.7° |
| C6 | C5 | CAO | H13 | 1.3° | 0.0° |
| N3 | C4 | C5 | NAM | 179.7° | 180.0° |
| N3 | C4 | C5 | CAO | 179.8° | 180.0° |
| N3 | C4 | NAM | CAR | 0.3° | 0.1° |
| N3 | C4 | NAM | NAN | 180.0° | 180.0° |
| CAX | CAW | CAQ | CAV | 179.2° | 179.5° |
| CAX | CAW | CAQ | CAT | 179.6° | 179.7° |
| CAX | CAW | CAV | CAU | 179.8° | 180.0° |
| CAX | CAW | CAV | H8 | 0.2° | 0.1° |
| CAW | CAX | H9 | H10 | 120.0° | 120.1° |
| CAW | CAX | H9 | H11 | 120.0° | 119.9° |
| CAW | CAX | H10 | H11 | 120.0° | 119.9° |
| CAW | CAQ | CAT | CAS | 1.7° | 0.6° |
| CAQ | CAW | CAV | CAU | 1.0° | 0.5° |
| CAW | CAQ | CAT | H6 | 178.3° | 179.5° |
| CAQ | CAW | CAV | H8 | 179.0° | 179.4° |
| CAQ | CAW | CAX | H9 | 89.6° | 90.6° |
| CAQ | CAW | CAX | H10 | 150.4° | 29.5° |
| CAQ | CAW | CAX | H11 | 30.4° | 149.5° |
| CAW | CAQ | NAP | H12 | 75.1° | 23.7° |
| CAT | CAQ | CAW | CAV | 1.2° | 0.8° |
| CAQ | CAT | CAS | H6 | 180.0° | 179.9° |
| CAQ | CAT | CAS | CAU | 1.9° | 0.0° |
| CAQ | CAT | CAS | CAY | 178.5° | 179.7° |
| CAT | CAQ | NAP | H12 | 102.7° | 155.5° |
| CAW | CAV | CAU | H8 | 180.0° | 179.9° |
| CAW | CAV | CAU | CAS | 1.3° | 0.1° |
| CAW | CAV | CAU | H7 | 178.7° | 180.0° |
| CAV | CAW | CAX | H9 | 89.6° | 89.9° |
| CAV | CAW | CAX | H10 | 30.4° | 149.9° |
| CAV | CAW | CAX | H11 | 150.4° | 30.0° |
| C4 | C5 | CAO | NAN | 0.1° | 0.0° |
| C5 | C4 | NAM | CAR | 180.0° | 179.9° |
| C5 | C4 | NAM | NAN | 0.3° | 0.0° |
| C4 | C5 | CAO | H13 | 179.9° | 180.0° |
| CAO | C5 | C4 | NAM | 0.1° | 0.0° |
| C5 | CAO | NAN | H13 | 180.0° | 180.0° |
| C5 | CAO | NAN | NAM | 0.3° | 0.0° |
| C4 | NAM | NAN | CAO | 0.3° | 0.0° |
| C4 | NAM | CAR | NAN | 179.7° | 179.9° |
| C4 | NAM | CAR | H14 | 179.7° | 90.0° |
| C4 | NAM | CAR | H15 | 60.3° | 30.0° |
| C4 | NAM | CAR | H16 | 59.7° | 150.1° |
| CAT | CAS | CAU | CAV | 1.7° | 0.3° |
| CAT | CAS | CAU | CAY | 176.4° | 179.7° |
| CAT | CAS | CAY | OBH | 2.4° | 5.5° |
| CAT | CAS | CAY | NAZ | 176.7° | 174.5° |
| CAT | CAS | CAU | H7 | 178.3° | 179.8° |
| CAV | CAU | CAS | H7 | 180.0° | 179.9° |
| CAV | CAU | CAS | CAY | 178.1° | 180.0° |
| CAO | NAN | NAM | CAR | 179.9° | 179.9° |
| NAM | CAR | H14 | H15 | 120.0° | 120.1° |
| NAM | CAR | H14 | H16 | 120.0° | 120.0° |
| NAM | CAR | H15 | H16 | 120.0° | 120.0° |
| NAM | NAN | CAO | H13 | 179.7° | 180.0° |
| NAN | NAM | CAR | H14 | 0.0° | 90.0° |
| NAN | NAM | CAR | H15 | 120.0° | 150.0° |
| NAN | NAM | CAR | H16 | 120.0° | 30.0° |
| CAU | CAS | CAY | OBH | 174.0° | 174.8° |
| CAU | CAS | CAY | NAZ | 0.3° | 5.2° |
| CAU | CAS | CAT | H6 | 178.1° | 179.9° |
| CAS | CAU | CAV | H8 | 178.7° | 180.0° |
| CAS | CAY | OBH | NAZ | 173.8° | 180.0° |
| CAS | CAY | NAZ | CBA | 173.3° | 174.7° |
| CAS | CAY | NAZ | H5 | 6.7° | 5.4° |
| CAY | CAS | CAT | H6 | 1.5° | 0.2° |
| CAY | CAS | CAU | H7 | 1.9° | 0.0° |
| OBH | CAY | NAZ | CBA | 0.7° | 5.3° |
| OBH | CAY | NAZ | H5 | 179.3° | 174.6° |
| FBI | CBG | CBC | CBE | 43.2° | 179.7° |
| FBI | CBG | FBK | CBC | 115.6° | 120.0° |
| FBI | CBG | FBK | FBJ | 128.5° | 120.0° |
| FBI | CBG | CBC | FBJ | 121.3° | 120.0° |
| FBI | CBG | CBC | CBB | 138.1° | 0.0° |
| CAY | NAZ | CBA | H5 | 180.0° | 179.9° |
| CAY | NAZ | CBA | CBE | 27.4° | 152.4° |
| CAY | NAZ | CBA | CBF | 156.3° | 27.7° |
| NAZ | CBA | CBE | CBF | 176.3° | 180.0° |
| NAZ | CBA | CBE | CBC | 178.1° | 180.0° |
| NAZ | CBA | CBF | CBD | 178.2° | 179.7° |
| NAZ | CBA | CBE | H1 | 1.9° | 0.1° |
| NAZ | CBA | CBF | H4 | 1.8° | 0.0° |
| CBA | CBE | CBC | H1 | 180.0° | 179.9° |
| CBA | CBE | CBC | CBG | 178.1° | 180.0° |
| CBA | CBE | CBC | CBB | 0.7° | 0.3° |
| CBE | CBA | CBF | CBD | 1.6° | 0.2° |
| CBE | CBA | CBF | H4 | 178.4° | 180.0° |
| CBE | CBA | NAZ | H5 | 152.6° | 27.6° |
| CBE | CBC | CBG | FBK | 76.5° | 59.7° |
| CBE | CBC | CBG | CBB | 178.7° | 179.7° |
| CBE | CBC | CBG | FBJ | 164.5° | 60.3° |
| CBC | CBE | CBA | CBF | 1.8° | 0.1° |
| CBE | CBC | CBB | CBD | 0.6° | 0.2° |
| CBE | CBC | CBB | H2 | 179.4° | 179.6° |
| FBK | CBG | CBC | FBJ | 119.0° | 120.0° |
| FBK | CBG | CBC | CBB | 102.2° | 120.0° |
| CBG | CBC | CBB | CBD | 179.4° | 180.0° |
| CBG | CBC | CBE | H1 | 1.9° | 0.1° |
| CBG | CBC | CBB | H2 | 0.6° | 0.1° |
| FBJ | CBG | CBC | CBB | 16.8° | 120.0° |
| CBA | CBF | CBD | H4 | 180.0° | 179.8° |
| CBA | CBF | CBD | CBB | 0.4° | 0.3° |
| CBF | CBA | CBE | H1 | 178.2° | 180.0° |
| CBA | CBF | CBD | H3 | 179.6° | 179.8° |
| CBF | CBA | NAZ | H5 | 23.7° | 152.4° |
| CBC | CBB | CBD | CBF | 0.8° | 0.0° |
| CBC | CBB | CBD | H2 | 180.0° | 179.9° |
| CBB | CBC | CBE | H1 | 179.3° | 179.8° |
| CBC | CBB | CBD | H3 | 179.2° | 180.0° |
| CBF | CBD | CBB | H3 | 180.0° | 179.9° |
| CBF | CBD | CBB | H2 | 179.2° | 179.9° |
| CBB | CBD | CBF | H4 | 179.6° | 180.0° |
| H2 | CBB | CBD | H3 | 0.8° | 0.1° |
| H3 | CBD | CBF | H4 | 0.4° | 0.0° |
| H7 | CAU | CAV | H8 | 1.3° | 0.1° |
| H9 | CAX | H10 | H11 | 120.0° | 120.0° |
| H14 | CAR | H15 | H16 | 119.9° | 120.0° |
| H17 | CAE | CAF | H18 | 0.3° | 0.0° |
