R74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | NAW | sing | 1.32Å | 1.39Å | Aromatic |
| CAS | CAT | sing | 1.51Å | 1.40Å | |
| CAS | NAQ | sing | 1.46Å | 1.47Å | |
| CAT | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| NAW | CAX | doub | 1.32Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| OB | CBD | doub | 1.21Å | 1.23Å | |
| NAQ | CBD | sing | 1.35Å | 1.35Å | |
| CBD | CBC | sing | 1.51Å | 1.55Å | |
| CBC | NBE | sing | 1.46Å | 1.47Å | |
| CBC | CBB | sing | 1.53Å | 1.53Å | |
| NBE | CAK | sing | 1.35Å | 1.34Å | |
| CAK | OAM | doub | 1.21Å | 1.24Å | |
| CAK | CAJ | sing | 1.51Å | 1.53Å | |
| CBB | SAZ | sing | 1.81Å | 1.84Å | |
| CAJ | CAD | sing | 1.51Å | 1.41Å | |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.35Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | OAG | sing | 1.36Å | 1.36Å | |
| CAF | CAA | doub | 1.39Å | 1.35Å | Aromatic |
| OAG | CAH | sing | 1.44Å | 1.45Å | |
| CAC | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.31Å | Aromatic |
| CAA | OAI | sing | 1.37Å | 1.36Å | |
| CAH | OAI | sing | 1.43Å | 1.45Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAU | H10 | sing | 1.08Å | 1.08Å | |
| CAV | H11 | sing | 1.08Å | 1.08Å | |
| CAX | H12 | sing | 1.08Å | 1.08Å | |
| CAY | H13 | sing | 1.08Å | 1.08Å | |
| CBB | H14 | sing | 1.09Å | 1.10Å | |
| CBB | H15 | sing | 1.09Å | 1.10Å | |
| CBC | H16 | sing | 1.09Å | 1.10Å | |
| NAQ | H17 | sing | 0.97Å | 1.00Å | |
| NBE | H18 | sing | 0.97Å | 1.00Å | |
| SAZ | H19 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAU | CAT | 122.0° | 119.2° |
| CAU | CAV | NAW | 118.7° | 120.8° |
| CAV | CAU | H10 | 119.0° | 120.4° |
| CAU | CAV | H11 | 120.6° | 119.6° |
| CAU | CAT | CAS | 120.6° | 120.8° |
| CAU | CAT | CAY | 118.7° | 118.4° |
| CAT | CAU | H10 | 119.0° | 120.4° |
| CAV | NAW | CAX | 119.7° | 121.7° |
| NAW | CAV | H11 | 120.7° | 119.6° |
| CAT | CAS | NAQ | 108.5° | 109.5° |
| CAS | CAT | CAY | 120.7° | 120.8° |
| CAT | CAS | H8 | 109.7° | 109.5° |
| CAT | CAS | H9 | 109.7° | 109.4° |
| CAS | NAQ | CBD | 121.6° | 120.0° |
| NAQ | CAS | H8 | 109.7° | 109.5° |
| NAQ | CAS | H9 | 109.7° | 109.5° |
| CAS | NAQ | H17 | 119.2° | 120.0° |
| CAT | CAY | CAX | 119.8° | 119.2° |
| CAT | CAY | H13 | 120.1° | 120.4° |
| NAW | CAX | CAY | 121.1° | 120.8° |
| NAW | CAX | H12 | 119.5° | 119.6° |
| CAY | CAX | H12 | 119.5° | 119.6° |
| CAX | CAY | H13 | 120.1° | 120.4° |
| OB | CBD | NAQ | 123.7° | 120.0° |
| OB | CBD | CBC | 120.3° | 120.0° |
| NAQ | CBD | CBC | 116.0° | 120.0° |
| CBD | NAQ | H17 | 119.2° | 120.0° |
| CBD | CBC | NBE | 109.2° | 109.5° |
| CBD | CBC | CBB | 107.4° | 109.5° |
| CBD | CBC | H16 | 110.2° | 109.5° |
| NBE | CBC | CBB | 108.3° | 109.5° |
| CBC | NBE | CAK | 121.0° | 120.0° |
| NBE | CBC | H16 | 111.3° | 109.5° |
| CBC | NBE | H18 | 119.5° | 120.0° |
| CBC | CBB | SAZ | 113.0° | 109.5° |
| CBC | CBB | H14 | 108.6° | 109.4° |
| CBC | CBB | H15 | 108.6° | 109.5° |
| CBB | CBC | H16 | 110.4° | 109.4° |
| NBE | CAK | OAM | 125.0° | 120.0° |
| NBE | CAK | CAJ | 115.1° | 120.0° |
| CAK | NBE | H18 | 119.5° | 120.0° |
| OAM | CAK | CAJ | 120.0° | 120.0° |
| CAK | CAJ | CAD | 110.7° | 109.4° |
| CAK | CAJ | H6 | 109.1° | 109.5° |
| CAK | CAJ | H7 | 109.2° | 109.5° |
| SAZ | CBB | H14 | 108.6° | 109.5° |
| SAZ | CBB | H15 | 108.6° | 109.5° |
| CBB | SAZ | H19 | 102.0° | 103.0° |
| CAJ | CAD | CAE | 124.3° | 119.9° |
| CAJ | CAD | CAC | 118.6° | 119.9° |
| CAD | CAJ | H6 | 109.1° | 109.5° |
| CAD | CAJ | H7 | 109.1° | 109.5° |
| CAD | CAE | CAF | 119.3° | 120.0° |
| CAE | CAD | CAC | 117.1° | 120.2° |
| CAD | CAE | H3 | 120.4° | 120.0° |
| CAE | CAF | OAG | 129.2° | 131.5° |
| CAE | CAF | CAA | 122.0° | 119.8° |
| CAF | CAE | H3 | 120.4° | 120.0° |
| CAD | CAC | CAB | 120.6° | 120.1° |
| CAD | CAC | H2 | 119.7° | 119.9° |
| OAG | CAF | CAA | 108.8° | 108.7° |
| CAF | OAG | CAH | 105.5° | 105.5° |
| CAF | CAA | CAB | 120.5° | 119.9° |
| CAF | CAA | OAI | 113.1° | 108.6° |
| OAG | CAH | OAI | 106.0° | 104.0° |
| OAG | CAH | H4 | 110.3° | 111.0° |
| OAG | CAH | H5 | 110.3° | 110.1° |
| CAC | CAB | CAA | 120.6° | 120.0° |
| CAC | CAB | H1 | 119.7° | 120.0° |
| CAB | CAC | H2 | 119.7° | 119.9° |
| CAB | CAA | OAI | 126.4° | 131.5° |
| CAA | CAB | H1 | 119.7° | 120.0° |
| CAA | OAI | CAH | 103.4° | 105.6° |
| OAI | CAH | H4 | 110.3° | 110.6° |
| OAI | CAH | H5 | 110.3° | 110.5° |
| H4 | CAH | H5 | 109.5° | 110.5° |
| H6 | CAJ | H7 | 109.5° | 109.5° |
| H8 | CAS | H9 | 109.5° | 109.5° |
| H14 | CBB | H15 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | CAT | H10 | 180.0° | 179.9° |
| CAU | CAV | NAW | H11 | 180.0° | 179.9° |
| CAV | CAU | CAT | CAS | 179.9° | 180.0° |
| CAV | CAU | CAT | CAY | 0.3° | 0.3° |
| CAU | CAV | NAW | CAX | 0.2° | 0.3° |
| CAT | CAU | CAV | NAW | 0.0° | 0.0° |
| CAU | CAT | CAS | CAY | 179.8° | 179.7° |
| CAU | CAT | CAS | NAQ | 120.9° | 89.7° |
| CAU | CAT | CAY | CAX | 0.4° | 0.3° |
| CAU | CAT | CAS | H8 | 1.1° | 30.3° |
| CAU | CAT | CAS | H9 | 119.2° | 150.3° |
| CAT | CAU | CAV | H11 | 180.0° | 180.0° |
| CAU | CAT | CAY | H13 | 179.6° | 179.7° |
| CAV | NAW | CAX | CAY | 0.1° | 0.2° |
| NAW | CAV | CAU | H10 | 180.0° | 180.0° |
| CAV | NAW | CAX | H12 | 179.9° | 179.7° |
| CAT | CAS | NAQ | H8 | 119.8° | 120.0° |
| CAT | CAS | NAQ | H9 | 119.8° | 120.0° |
| CAS | CAT | CAY | CAX | 179.8° | 180.0° |
| CAT | CAS | NAQ | CBD | 79.9° | 180.0° |
| CAT | CAS | H8 | H9 | 120.5° | 120.0° |
| CAS | CAT | CAU | H10 | 0.1° | 0.0° |
| CAS | CAT | CAY | H13 | 0.3° | 0.0° |
| CAT | CAS | NAQ | H17 | 100.1° | 0.0° |
| NAQ | CAS | CAT | CAY | 59.3° | 90.0° |
| CAS | NAQ | CBD | OB | 0.5° | 0.0° |
| CAS | NAQ | CBD | H17 | 180.0° | 180.0° |
| CAS | NAQ | CBD | CBC | 178.1° | 180.0° |
| NAQ | CAS | H8 | H9 | 120.5° | 120.0° |
| CAT | CAY | CAX | NAW | 0.2° | 0.1° |
| CAT | CAY | CAX | H13 | 180.0° | 179.9° |
| CAY | CAT | CAS | H8 | 179.1° | 150.0° |
| CAY | CAT | CAS | H9 | 60.6° | 30.0° |
| CAY | CAT | CAU | H10 | 179.7° | 179.7° |
| CAT | CAY | CAX | H12 | 179.8° | 180.0° |
| NAW | CAX | CAY | H12 | 180.0° | 179.9° |
| CAX | NAW | CAV | H11 | 179.8° | 179.7° |
| NAW | CAX | CAY | H13 | 179.8° | 180.0° |
| OB | CBD | NAQ | CBC | 178.6° | 180.0° |
| OB | CBD | CBC | NBE | 176.1° | 0.0° |
| OB | CBD | CBC | CBB | 66.7° | 120.0° |
| OB | CBD | CBC | H16 | 53.5° | 120.0° |
| OB | CBD | NAQ | H17 | 179.5° | 180.0° |
| NAQ | CBD | CBC | NBE | 5.2° | 180.0° |
| NAQ | CBD | CBC | CBB | 112.0° | 59.9° |
| CBD | NAQ | CAS | H8 | 39.9° | 60.0° |
| CBD | NAQ | CAS | H9 | 160.2° | 60.0° |
| NAQ | CBD | CBC | H16 | 127.8° | 60.0° |
| CBD | CBC | NBE | CBB | 116.6° | 120.1° |
| CBD | CBC | NBE | H16 | 121.9° | 120.0° |
| CBD | CBC | CBB | H16 | 120.1° | 120.0° |
| CBD | CBC | NBE | CAK | 120.1° | 155.0° |
| CBD | CBC | CBB | SAZ | 179.1° | 180.0° |
| CBD | CBC | CBB | H14 | 60.4° | 60.0° |
| CBD | CBC | CBB | H15 | 58.5° | 59.9° |
| CBC | CBD | NAQ | H17 | 1.9° | 0.0° |
| CBD | CBC | NBE | H18 | 59.9° | 25.0° |
| NBE | CBC | CBB | H16 | 122.1° | 120.0° |
| CBC | NBE | CAK | H18 | 180.0° | 179.9° |
| CBC | NBE | CAK | OAM | 1.7° | 0.0° |
| CBC | NBE | CAK | CAJ | 179.3° | 180.0° |
| NBE | CBC | CBB | SAZ | 63.1° | 60.0° |
| NBE | CBC | CBB | H14 | 57.5° | 60.0° |
| NBE | CBC | CBB | H15 | 176.4° | 180.0° |
| CBB | CBC | NBE | CAK | 123.3° | 85.0° |
| CBC | CBB | SAZ | H14 | 120.5° | 120.0° |
| CBC | CBB | SAZ | H15 | 120.6° | 120.1° |
| CBC | CBB | H14 | H15 | 118.4° | 120.0° |
| CBB | CBC | NBE | H18 | 56.7° | 95.1° |
| CBC | CBB | SAZ | H19 | 180.0° | 180.0° |
| NBE | CAK | OAM | CAJ | 179.0° | 180.0° |
| NBE | CAK | CAJ | CAD | 147.5° | 180.0° |
| NBE | CAK | CAJ | H6 | 92.4° | 60.0° |
| NBE | CAK | CAJ | H7 | 27.3° | 60.0° |
| CAK | NBE | CBC | H16 | 1.8° | 35.0° |
| OAM | CAK | CAJ | CAD | 33.5° | 0.0° |
| OAM | CAK | CAJ | H6 | 86.7° | 120.0° |
| OAM | CAK | CAJ | H7 | 153.7° | 120.0° |
| OAM | CAK | NBE | H18 | 178.3° | 180.0° |
| CAK | CAJ | CAD | H6 | 120.2° | 120.0° |
| CAK | CAJ | CAD | H7 | 120.2° | 120.0° |
| CAK | CAJ | CAD | CAE | 104.2° | 90.0° |
| CAK | CAJ | CAD | CAC | 76.4° | 90.0° |
| CAK | CAJ | H6 | H7 | 119.4° | 120.1° |
| CAJ | CAK | NBE | H18 | 0.7° | 0.0° |
| SAZ | CBB | H14 | H15 | 118.4° | 120.0° |
| SAZ | CBB | CBC | H16 | 59.0° | 60.0° |
| CAJ | CAD | CAE | CAC | 179.4° | 179.9° |
| CAJ | CAD | CAE | CAF | 178.9° | 179.6° |
| CAJ | CAD | CAC | CAB | 179.0° | 179.9° |
| CAJ | CAD | CAC | H2 | 1.0° | 0.1° |
| CAJ | CAD | CAE | H3 | 1.2° | 0.0° |
| CAD | CAJ | H6 | H7 | 119.4° | 120.0° |
| CAD | CAE | CAF | H3 | 180.0° | 179.6° |
| CAD | CAE | CAF | OAG | 179.3° | 180.0° |
| CAD | CAE | CAF | CAA | 0.4° | 0.6° |
| CAE | CAD | CAC | CAB | 0.4° | 0.0° |
| CAE | CAD | CAC | H2 | 179.6° | 180.0° |
| CAE | CAD | CAJ | H6 | 16.0° | 30.0° |
| CAE | CAD | CAJ | H7 | 135.6° | 150.0° |
| CAF | CAE | CAD | CAC | 0.5° | 0.3° |
| CAE | CAF | OAG | CAA | 179.7° | 179.4° |
| CAE | CAF | OAG | CAH | 169.1° | 162.7° |
| CAE | CAF | CAA | CAB | 0.2° | 0.6° |
| CAE | CAF | CAA | OAI | 179.9° | 179.6° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.2° | 0.0° |
| CAD | CAC | CAB | H1 | 179.8° | 180.0° |
| CAC | CAD | CAE | H3 | 179.5° | 179.9° |
| CAC | CAD | CAJ | H6 | 163.4° | 150.0° |
| CAC | CAD | CAJ | H7 | 43.8° | 30.0° |
| OAG | CAF | CAA | CAB | 179.5° | 179.9° |
| OAG | CAF | CAA | OAI | 0.3° | 0.1° |
| CAF | OAG | CAH | OAI | 17.0° | 26.4° |
| OAG | CAF | CAE | H3 | 0.8° | 0.4° |
| CAF | OAG | CAH | H4 | 136.5° | 145.4° |
| CAF | OAG | CAH | H5 | 102.4° | 92.0° |
| CAA | CAF | OAG | CAH | 10.6° | 16.7° |
| CAF | CAA | CAB | CAC | 0.1° | 0.3° |
| CAF | CAA | CAB | OAI | 179.9° | 179.7° |
| CAF | CAA | OAI | CAH | 11.0° | 16.9° |
| CAF | CAA | CAB | H1 | 179.9° | 179.7° |
| CAA | CAF | CAE | H3 | 179.5° | 179.8° |
| OAG | CAH | OAI | CAA | 16.8° | 26.5° |
| OAG | CAH | OAI | H4 | 119.5° | 119.2° |
| OAG | CAH | OAI | H5 | 119.5° | 118.1° |
| OAG | CAH | H4 | H5 | 121.6° | 122.3° |
| CAC | CAB | CAA | H1 | 180.0° | 180.0° |
| CAC | CAB | CAA | OAI | 180.0° | 180.0° |
| CAB | CAA | OAI | CAH | 168.8° | 163.4° |
| CAA | CAB | CAC | H2 | 179.8° | 180.0° |
| OAI | CAA | CAB | H1 | 0.0° | 0.0° |
| CAA | OAI | CAH | H4 | 136.3° | 145.7° |
| CAA | OAI | CAH | H5 | 102.6° | 91.6° |
| OAI | CAH | H4 | H5 | 121.6° | 122.7° |
| H1 | CAB | CAC | H2 | 0.2° | 0.0° |
| H8 | CAS | NAQ | H17 | 140.1° | 120.0° |
| H9 | CAS | NAQ | H17 | 19.8° | 120.0° |
| H10 | CAU | CAV | H11 | 0.0° | 0.1° |
| H12 | CAX | CAY | H13 | 0.2° | 0.1° |
| H14 | CBB | CBC | H16 | 179.6° | 180.0° |
| H14 | CBB | SAZ | H19 | 59.5° | 59.9° |
| H15 | CBB | CBC | H16 | 61.5° | 60.1° |
| H15 | CBB | SAZ | H19 | 59.4° | 60.0° |
| H16 | CBC | NBE | H18 | 178.2° | 145.0° |
