5DV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NBB | CBA | trip | 1.14Å | 1.13Å | |
| CBA | CAZ | sing | 1.47Å | 1.43Å | |
| CAZ | CAY | sing | 1.53Å | 1.38Å | |
| CAY | CAT | sing | 1.51Å | 1.36Å | |
| CAT | CAS | doub | 1.38Å | 1.37Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.33Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.36Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.33Å | Aromatic |
| CAV | CAX | sing | 1.51Å | 1.47Å | |
| CAV | CAW | sing | 1.38Å | 1.36Å | Aromatic |
| CAW | CAR | doub | 1.38Å | 1.35Å | Aromatic |
| CAR | PAO | sing | 1.81Å | 1.53Å | |
| PAO | OAQ | sing | 1.61Å | 1.31Å | |
| PAO | OAP | doub | 1.48Å | 1.38Å | |
| PAO | CAI | sing | 1.81Å | 1.57Å | |
| OAQ | CBC | sing | 1.43Å | 1.29Å | |
| CAI | CAE | sing | 1.42Å | 1.38Å | Aromatic |
| CAI | CAH | doub | 1.36Å | 1.38Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.37Å | Aromatic |
| CAE | CAD | sing | 1.41Å | 1.37Å | Aromatic |
| CAF | CAA | sing | 1.37Å | 1.36Å | Aromatic |
| CAA | CL | sing | 1.74Å | 1.71Å | |
| CAA | CAB | doub | 1.39Å | 1.35Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.36Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.34Å | Aromatic |
| CAD | NAG | sing | 1.38Å | 1.31Å | Aromatic |
| NAG | CAH | sing | 1.38Å | 1.31Å | Aromatic |
| CAH | CAL | sing | 1.47Å | 1.47Å | |
| CAL | OAN | doub | 1.22Å | 1.21Å | |
| CAL | NAM | sing | 1.35Å | 1.28Å | |
| CAZ | H1 | sing | 1.09Å | 1.10Å | |
| CAZ | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAY | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAU | H6 | sing | 1.08Å | 1.08Å | |
| CAX | H7 | sing | 1.09Å | 1.10Å | |
| CAX | H8 | sing | 1.09Å | 1.10Å | |
| CAX | H9 | sing | 1.09Å | 1.10Å | |
| CAW | H10 | sing | 1.08Å | 1.08Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAB | H15 | sing | 1.08Å | 1.08Å | |
| CAC | H16 | sing | 1.08Å | 1.08Å | |
| NAG | H17 | sing | 0.97Å | 1.00Å | |
| NAM | H18 | sing | 0.97Å | 1.00Å | |
| NAM | H19 | sing | 0.97Å | 1.00Å | |
| CBC | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBB | CBA | CAZ | 179.9° | 179.9° |
| CBA | CAZ | CAY | 122.4° | 109.5° |
| CBA | CAZ | H1 | 106.2° | 109.4° |
| CBA | CAZ | H2 | 106.2° | 109.4° |
| CAZ | CAY | CAT | 111.7° | 109.5° |
| CAY | CAZ | H1 | 106.2° | 109.5° |
| CAY | CAZ | H2 | 106.1° | 109.5° |
| CAZ | CAY | H3 | 108.9° | 109.5° |
| CAZ | CAY | H4 | 108.9° | 109.4° |
| CAY | CAT | CAS | 124.2° | 120.0° |
| CAY | CAT | CAU | 113.5° | 120.0° |
| CAT | CAY | H3 | 108.9° | 109.5° |
| CAT | CAY | H4 | 108.9° | 109.5° |
| CAS | CAT | CAU | 122.2° | 120.0° |
| CAT | CAS | CAR | 120.8° | 120.0° |
| CAT | CAS | H5 | 119.6° | 120.0° |
| CAT | CAU | CAV | 117.0° | 120.0° |
| CAT | CAU | H6 | 121.5° | 120.0° |
| CAS | CAR | CAW | 116.2° | 120.0° |
| CAS | CAR | PAO | 120.7° | 120.0° |
| CAR | CAS | H5 | 119.6° | 120.0° |
| CAU | CAV | CAX | 118.9° | 119.9° |
| CAU | CAV | CAW | 122.3° | 120.0° |
| CAV | CAU | H6 | 121.5° | 120.1° |
| CAX | CAV | CAW | 118.8° | 120.0° |
| CAV | CAX | H7 | 109.5° | 109.5° |
| CAV | CAX | H8 | 109.5° | 109.4° |
| CAV | CAX | H9 | 109.5° | 109.5° |
| CAV | CAW | CAR | 121.6° | 120.0° |
| CAV | CAW | H10 | 119.2° | 120.0° |
| CAW | CAR | PAO | 123.1° | 120.0° |
| CAR | CAW | H10 | 119.2° | 120.0° |
| CAR | PAO | OAQ | 93.0° | 109.5° |
| CAR | PAO | OAP | 117.1° | 109.5° |
| CAR | PAO | CAI | 121.6° | 109.4° |
| OAQ | PAO | OAP | 101.0° | 109.5° |
| OAQ | PAO | CAI | 100.7° | 109.5° |
| PAO | OAQ | CBC | 110.9° | 123.0° |
| OAP | PAO | CAI | 115.4° | 109.5° |
| PAO | CAI | CAE | 129.7° | 126.2° |
| PAO | CAI | CAH | 126.1° | 126.1° |
| OAQ | CBC | H11 | 109.5° | 109.4° |
| OAQ | CBC | H12 | 109.5° | 109.5° |
| OAQ | CBC | H21 | 109.5° | 109.5° |
| CAE | CAI | CAH | 104.2° | 107.7° |
| CAI | CAE | CAF | 134.8° | 133.4° |
| CAI | CAE | CAD | 106.2° | 107.0° |
| CAI | CAH | NAG | 111.9° | 109.1° |
| CAI | CAH | CAL | 127.3° | 125.4° |
| CAF | CAE | CAD | 119.0° | 119.6° |
| CAE | CAF | CAA | 120.6° | 119.8° |
| CAE | CAF | H14 | 119.7° | 120.1° |
| CAE | CAD | CAC | 120.1° | 119.5° |
| CAE | CAD | NAG | 111.2° | 107.3° |
| CAF | CAA | CL | 123.7° | 119.7° |
| CAF | CAA | CAB | 118.7° | 120.6° |
| CAA | CAF | H14 | 119.7° | 120.1° |
| CL | CAA | CAB | 117.6° | 119.7° |
| CAA | CAB | CAC | 121.5° | 120.7° |
| CAA | CAB | H15 | 119.2° | 119.7° |
| CAB | CAC | CAD | 120.1° | 119.8° |
| CAC | CAB | H15 | 119.3° | 119.7° |
| CAB | CAC | H16 | 120.0° | 120.1° |
| CAC | CAD | NAG | 128.6° | 133.2° |
| CAD | CAC | H16 | 120.0° | 120.1° |
| CAD | NAG | CAH | 106.5° | 108.8° |
| CAD | NAG | H17 | 126.8° | 125.6° |
| NAG | CAH | CAL | 120.9° | 125.4° |
| CAH | NAG | H17 | 126.7° | 125.6° |
| CAH | CAL | OAN | 120.2° | 120.0° |
| CAH | CAL | NAM | 114.9° | 120.0° |
| OAN | CAL | NAM | 124.7° | 120.0° |
| CAL | NAM | H18 | 120.0° | 120.0° |
| CAL | NAM | H19 | 120.0° | 120.0° |
| H1 | CAZ | H2 | 109.4° | 109.5° |
| H3 | CAY | H4 | 109.5° | 109.4° |
| H7 | CAX | H8 | 109.4° | 109.5° |
| H7 | CAX | H9 | 109.5° | 109.5° |
| H8 | CAX | H9 | 109.5° | 109.5° |
| H11 | CBC | H12 | 109.5° | 109.5° |
| H11 | CBC | H21 | 109.4° | 109.4° |
| H12 | CBC | H21 | 109.5° | 109.5° |
| H18 | NAM | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBB | CBA | CAZ | CAY | 40.8° | 13.9° |
| NBB | CBA | CAZ | H1 | 162.6° | 134.0° |
| NBB | CBA | CAZ | H2 | 81.0° | 106.1° |
| CBA | CAZ | CAY | H1 | 121.8° | 120.0° |
| CBA | CAZ | CAY | H2 | 121.8° | 120.0° |
| CBA | CAZ | CAY | CAT | 177.3° | 180.0° |
| CBA | CAZ | H1 | H2 | 114.2° | 119.9° |
| CBA | CAZ | CAY | H3 | 57.0° | 60.0° |
| CBA | CAZ | CAY | H4 | 62.3° | 60.0° |
| CAZ | CAY | CAT | H3 | 120.3° | 120.0° |
| CAZ | CAY | CAT | H4 | 120.4° | 120.0° |
| CAZ | CAY | CAT | CAS | 104.3° | 90.0° |
| CAZ | CAY | CAT | CAU | 73.2° | 90.3° |
| CAY | CAZ | H1 | H2 | 114.2° | 120.0° |
| CAZ | CAY | H3 | H4 | 119.0° | 119.9° |
| CAY | CAT | CAS | CAU | 177.3° | 179.7° |
| CAY | CAT | CAS | CAR | 177.7° | 180.0° |
| CAY | CAT | CAU | CAV | 178.8° | 180.0° |
| CAT | CAY | CAZ | H1 | 60.9° | 60.0° |
| CAT | CAY | CAZ | H2 | 55.5° | 60.0° |
| CAT | CAY | H3 | H4 | 119.0° | 120.0° |
| CAY | CAT | CAS | H5 | 2.4° | 0.0° |
| CAY | CAT | CAU | H6 | 1.2° | 0.0° |
| CAT | CAS | CAR | H5 | 180.0° | 180.0° |
| CAS | CAT | CAU | CAV | 1.2° | 0.3° |
| CAT | CAS | CAR | CAW | 1.1° | 0.0° |
| CAT | CAS | CAR | PAO | 179.7° | 180.0° |
| CAS | CAT | CAY | H3 | 135.4° | 30.0° |
| CAS | CAT | CAY | H4 | 16.1° | 150.0° |
| CAS | CAT | CAU | H6 | 178.8° | 179.8° |
| CAU | CAT | CAS | CAR | 0.4° | 0.3° |
| CAT | CAU | CAV | H6 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAX | 178.7° | 180.0° |
| CAT | CAU | CAV | CAW | 0.6° | 0.0° |
| CAU | CAT | CAY | H3 | 47.1° | 149.7° |
| CAU | CAT | CAY | H4 | 166.4° | 29.7° |
| CAU | CAT | CAS | H5 | 179.6° | 179.7° |
| CAS | CAR | CAW | CAV | 1.7° | 0.3° |
| CAS | CAR | CAW | PAO | 179.3° | 180.0° |
| CAS | CAR | PAO | OAQ | 1.3° | 142.8° |
| CAS | CAR | PAO | OAP | 102.6° | 22.8° |
| CAS | CAR | PAO | CAI | 105.7° | 97.2° |
| CAS | CAR | CAW | H10 | 178.3° | 179.9° |
| CAU | CAV | CAX | CAW | 179.3° | 179.9° |
| CAU | CAV | CAW | CAR | 0.9° | 0.3° |
| CAU | CAV | CAX | H7 | 89.7° | 90.0° |
| CAU | CAV | CAX | H8 | 150.4° | 150.0° |
| CAU | CAV | CAX | H9 | 30.4° | 30.0° |
| CAU | CAV | CAW | H10 | 179.1° | 180.0° |
| CAX | CAV | CAW | CAR | 179.9° | 179.7° |
| CAX | CAV | CAU | H6 | 1.4° | 0.1° |
| CAV | CAX | H7 | H8 | 120.0° | 119.9° |
| CAV | CAX | H7 | H9 | 120.0° | 120.0° |
| CAV | CAX | H8 | H9 | 120.0° | 120.0° |
| CAX | CAV | CAW | H10 | 0.1° | 0.1° |
| CAV | CAW | CAR | H10 | 180.0° | 179.8° |
| CAV | CAW | CAR | PAO | 179.1° | 179.7° |
| CAW | CAV | CAU | H6 | 179.4° | 180.0° |
| CAW | CAV | CAX | H7 | 89.6° | 90.0° |
| CAW | CAV | CAX | H8 | 30.4° | 30.0° |
| CAW | CAV | CAX | H9 | 150.4° | 150.0° |
| CAW | CAR | PAO | OAQ | 179.5° | 37.2° |
| CAW | CAR | PAO | OAP | 76.6° | 157.2° |
| CAW | CAR | PAO | CAI | 75.0° | 82.8° |
| CAW | CAR | CAS | H5 | 178.9° | 180.0° |
| CAR | PAO | OAQ | OAP | 118.3° | 120.0° |
| CAR | PAO | OAQ | CAI | 123.0° | 120.0° |
| CAR | PAO | OAP | CAI | 153.4° | 120.0° |
| CAR | PAO | OAQ | CBC | 163.7° | 175.0° |
| CAR | PAO | CAI | CAE | 53.6° | 106.2° |
| CAR | PAO | CAI | CAH | 129.2° | 73.5° |
| PAO | CAR | CAS | H5 | 0.3° | 0.0° |
| PAO | CAR | CAW | H10 | 0.9° | 0.0° |
| OAQ | PAO | OAP | CAI | 107.5° | 120.0° |
| OAQ | PAO | CAI | CAE | 46.6° | 13.7° |
| OAQ | PAO | CAI | CAH | 130.6° | 166.5° |
| PAO | OAQ | CBC | H11 | 180.0° | 180.0° |
| PAO | OAQ | CBC | H12 | 60.0° | 60.0° |
| PAO | OAQ | CBC | H21 | 60.0° | 60.0° |
| OAP | PAO | OAQ | CBC | 78.0° | 55.0° |
| OAP | PAO | CAI | CAE | 154.3° | 133.8° |
| OAP | PAO | CAI | CAH | 22.9° | 46.5° |
| CAI | PAO | OAQ | CBC | 40.7° | 65.0° |
| PAO | CAI | CAE | CAH | 177.7° | 179.8° |
| PAO | CAI | CAE | CAF | 1.8° | 0.1° |
| PAO | CAI | CAE | CAD | 178.9° | 180.0° |
| PAO | CAI | CAH | NAG | 179.2° | 179.8° |
| PAO | CAI | CAH | CAL | 1.0° | 0.1° |
| OAQ | CBC | H11 | H12 | 120.0° | 120.0° |
| OAQ | CBC | H11 | H21 | 120.0° | 120.0° |
| OAQ | CBC | H12 | H21 | 120.0° | 120.0° |
| CAI | CAE | CAF | CAD | 179.3° | 179.9° |
| CAI | CAE | CAF | CAA | 179.2° | 180.0° |
| CAI | CAE | CAD | CAC | 179.1° | 180.0° |
| CAI | CAE | CAD | NAG | 0.7° | 0.0° |
| CAE | CAI | CAH | NAG | 1.4° | 0.4° |
| CAE | CAI | CAH | CAL | 178.8° | 179.7° |
| CAI | CAE | CAF | H14 | 0.8° | 0.1° |
| CAH | CAI | CAE | CAF | 179.5° | 179.7° |
| CAH | CAI | CAE | CAD | 1.2° | 0.2° |
| CAI | CAH | NAG | CAD | 1.0° | 0.4° |
| CAI | CAH | NAG | CAL | 179.8° | 179.9° |
| CAI | CAH | CAL | OAN | 154.7° | 5.4° |
| CAI | CAH | CAL | NAM | 20.1° | 174.7° |
| CAI | CAH | NAG | H17 | 179.0° | 179.9° |
| CAE | CAF | CAA | H14 | 180.0° | 179.9° |
| CAE | CAF | CAA | CL | 179.5° | 180.0° |
| CAE | CAF | CAA | CAB | 0.1° | 0.1° |
| CAF | CAE | CAD | CAC | 0.3° | 0.1° |
| CAF | CAE | CAD | NAG | 179.9° | 180.0° |
| CAD | CAE | CAF | CAA | 0.1° | 0.1° |
| CAE | CAD | CAC | CAB | 0.6° | 0.1° |
| CAE | CAD | CAC | NAG | 179.7° | 180.0° |
| CAE | CAD | NAG | CAH | 0.2° | 0.2° |
| CAD | CAE | CAF | H14 | 179.9° | 180.0° |
| CAE | CAD | CAC | H16 | 179.4° | 180.0° |
| CAE | CAD | NAG | H17 | 179.8° | 180.0° |
| CAF | CAA | CL | CAB | 179.6° | 179.9° |
| CAF | CAA | CAB | CAC | 0.3° | 0.1° |
| CAF | CAA | CAB | H15 | 179.7° | 179.9° |
| CL | CAA | CAB | CAC | 179.3° | 180.0° |
| CL | CAA | CAF | H14 | 0.5° | 0.1° |
| CL | CAA | CAB | H15 | 0.7° | 0.0° |
| CAA | CAB | CAC | H15 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.6° | 0.1° |
| CAB | CAA | CAF | H14 | 180.0° | 180.0° |
| CAA | CAB | CAC | H16 | 179.4° | 179.9° |
| CAB | CAC | CAD | H16 | 180.0° | 180.0° |
| CAB | CAC | CAD | NAG | 179.7° | 180.0° |
| CAC | CAD | NAG | CAH | 180.0° | 179.8° |
| CAD | CAC | CAB | H15 | 179.4° | 180.0° |
| CAC | CAD | NAG | H17 | 0.0° | 0.0° |
| CAD | NAG | CAH | H17 | 180.0° | 179.8° |
| CAD | NAG | CAH | CAL | 179.2° | 179.7° |
| NAG | CAD | CAC | H16 | 0.4° | 0.0° |
| NAG | CAH | CAL | OAN | 25.5° | 174.5° |
| NAG | CAH | CAL | NAM | 159.7° | 5.4° |
| CAH | CAL | OAN | NAM | 174.2° | 179.9° |
| CAL | CAH | NAG | H17 | 0.8° | 0.1° |
| CAH | CAL | NAM | H18 | 174.6° | 0.0° |
| CAH | CAL | NAM | H19 | 5.5° | 180.0° |
| OAN | CAL | NAM | H18 | 0.0° | 179.9° |
| OAN | CAL | NAM | H19 | 180.0° | 0.1° |
| CAL | NAM | H18 | H19 | 180.0° | 180.0° |
| H1 | CAZ | CAY | H3 | 178.8° | 179.9° |
| H1 | CAZ | CAY | H4 | 59.5° | 60.0° |
| H2 | CAZ | CAY | H3 | 64.8° | 60.0° |
| H2 | CAZ | CAY | H4 | 175.9° | 179.9° |
| H7 | CAX | H8 | H9 | 120.0° | 120.1° |
| H11 | CBC | H12 | H21 | 120.0° | 120.0° |
| H15 | CAB | CAC | H16 | 0.6° | 0.0° |
