7AM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBD | PBC | doub | 1.48Å | 1.64Å | |
| OBE | PBC | sing | 1.61Å | 1.50Å | |
| PBC | NAN | sing | 1.64Å | 1.71Å | |
| PBC | OBF | sing | 1.61Å | 1.65Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.40Å | Aromatic |
| NAN | C | sing | 1.35Å | 1.36Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.43Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CZ | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CA | N | sing | 1.46Å | 1.47Å | |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C4 | sing | 1.38Å | 1.35Å | |
| N3 | C4 | doub | 1.32Å | 1.36Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.39Å | Aromatic |
| C5 | CAC | sing | 1.45Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| CAC | CAD | doub | 1.33Å | 1.34Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAK | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.34Å | 1.36Å | Aromatic |
| C6 | SAE | sing | 1.76Å | 1.67Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAK | sing | 1.48Å | 1.36Å | |
| CAD | SAE | sing | 1.75Å | 1.68Å | Aromatic |
| CAK | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAR | CAU | sing | 1.51Å | 1.39Å | |
| CAR | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | H1 | sing | 1.08Å | 1.08Å | |
| CAQ | H2 | sing | 1.08Å | 1.08Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.09Å | 1.10Å | |
| CAU | H5 | sing | 1.09Å | 1.10Å | |
| CAS | H6 | sing | 1.08Å | 1.08Å | |
| CAT | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| NAN | H12 | sing | 0.97Å | 1.00Å | |
| OBF | H13 | sing | 0.97Å | 0.95Å | |
| OBE | H14 | sing | 0.97Å | 0.95Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CD1 | H17 | sing | 1.08Å | 1.08Å | |
| CE1 | H18 | sing | 1.08Å | 1.08Å | |
| CZ | H19 | sing | 1.08Å | 1.08Å | |
| CE2 | H20 | sing | 1.08Å | 1.08Å | |
| CD2 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBD | PBC | OBE | 106.3° | 109.5° |
| OBD | PBC | NAN | 109.7° | 109.5° |
| OBD | PBC | OBF | 108.4° | 109.5° |
| OBE | PBC | NAN | 118.2° | 109.4° |
| OBE | PBC | OBF | 107.2° | 109.5° |
| PBC | OBE | H14 | 109.5° | 114.0° |
| NAN | PBC | OBF | 106.7° | 109.5° |
| PBC | NAN | C | 122.6° | 120.0° |
| PBC | NAN | H12 | 118.7° | 120.0° |
| PBC | OBF | H13 | 109.5° | 114.0° |
| CE2 | CD2 | CG | 120.1° | 120.0° |
| CD2 | CE2 | CZ | 120.5° | 120.0° |
| CD2 | CE2 | H20 | 119.7° | 120.0° |
| CE2 | CD2 | H21 | 119.9° | 120.0° |
| CD2 | CG | CB | 121.1° | 120.0° |
| CD2 | CG | CD1 | 118.8° | 120.0° |
| CG | CD2 | H21 | 120.0° | 120.0° |
| NAN | C | O | 126.1° | 120.0° |
| NAN | C | CA | 112.5° | 120.0° |
| C | NAN | H12 | 118.7° | 120.0° |
| CE2 | CZ | CE1 | 119.6° | 120.0° |
| CE2 | CZ | H19 | 120.2° | 120.0° |
| CZ | CE2 | H20 | 119.8° | 120.0° |
| CG | CB | CA | 107.2° | 109.5° |
| CB | CG | CD1 | 120.2° | 120.0° |
| CG | CB | H15 | 110.0° | 109.5° |
| CG | CB | H16 | 110.1° | 109.4° |
| CB | CA | C | 110.9° | 109.4° |
| CB | CA | N | 110.2° | 109.4° |
| CB | CA | H11 | 108.2° | 109.5° |
| CA | CB | H15 | 110.1° | 109.5° |
| CA | CB | H16 | 110.0° | 109.5° |
| CG | CD1 | CE1 | 121.0° | 120.0° |
| CG | CD1 | H17 | 119.5° | 120.0° |
| O | C | CA | 121.4° | 120.0° |
| C | CA | N | 110.6° | 109.5° |
| C | CA | H11 | 107.8° | 109.5° |
| CZ | CE1 | CD1 | 120.0° | 120.0° |
| CZ | CE1 | H18 | 120.0° | 120.0° |
| CE1 | CZ | H19 | 120.2° | 120.0° |
| CA | N | C4 | 122.2° | 120.0° |
| CA | N | H10 | 106.2° | 120.1° |
| N | CA | H11 | 109.0° | 109.5° |
| CE1 | CD1 | H17 | 119.5° | 120.0° |
| CD1 | CE1 | H18 | 120.0° | 120.0° |
| N | C4 | N3 | 122.2° | 120.6° |
| N | C4 | C5 | 116.8° | 120.5° |
| C4 | N | H10 | 106.2° | 120.0° |
| C4 | N3 | C2 | 121.7° | 121.2° |
| N3 | C4 | C5 | 121.0° | 118.9° |
| N3 | C2 | N1 | 116.6° | 122.2° |
| N3 | C2 | H9 | 121.7° | 118.9° |
| C4 | C5 | CAC | 127.3° | 130.4° |
| C4 | C5 | C6 | 118.5° | 117.5° |
| C2 | N1 | C6 | 119.6° | 121.1° |
| N1 | C2 | H9 | 121.7° | 118.9° |
| CAC | C5 | C6 | 114.2° | 112.1° |
| C5 | CAC | CAD | 115.8° | 114.6° |
| C5 | CAC | H8 | 122.1° | 122.7° |
| C5 | C6 | N1 | 122.6° | 119.0° |
| C5 | C6 | SAE | 106.7° | 109.8° |
| CAC | CAD | CAK | 125.3° | 124.4° |
| CAC | CAD | SAE | 106.8° | 111.3° |
| CAD | CAC | H8 | 122.1° | 122.7° |
| CAQ | CAP | CAK | 121.3° | 119.9° |
| CAP | CAQ | CAR | 120.5° | 120.1° |
| CAQ | CAP | H1 | 119.3° | 120.0° |
| CAP | CAQ | H2 | 119.8° | 119.9° |
| CAP | CAK | CAD | 122.2° | 120.2° |
| CAP | CAK | CAT | 117.3° | 119.7° |
| CAK | CAP | H1 | 119.4° | 120.1° |
| N1 | C6 | SAE | 130.7° | 131.1° |
| C6 | SAE | CAD | 96.5° | 92.2° |
| CAQ | CAR | CAU | 119.8° | 119.8° |
| CAQ | CAR | CAS | 119.1° | 120.3° |
| CAR | CAQ | H2 | 119.8° | 120.0° |
| CAK | CAD | SAE | 127.7° | 124.4° |
| CAD | CAK | CAT | 120.4° | 120.1° |
| CAK | CAT | CAS | 120.9° | 119.8° |
| CAK | CAT | H7 | 119.6° | 120.1° |
| CAU | CAR | CAS | 121.0° | 119.8° |
| CAR | CAU | H3 | 109.5° | 109.5° |
| CAR | CAU | H4 | 109.5° | 109.4° |
| CAR | CAU | H5 | 109.5° | 109.5° |
| CAR | CAS | CAT | 120.9° | 120.1° |
| CAR | CAS | H6 | 119.6° | 120.0° |
| CAT | CAS | H6 | 119.6° | 119.9° |
| CAS | CAT | H7 | 119.6° | 120.1° |
| H3 | CAU | H4 | 109.5° | 109.5° |
| H3 | CAU | H5 | 109.5° | 109.5° |
| H4 | CAU | H5 | 109.5° | 109.4° |
| H15 | CB | H16 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBD | PBC | OBE | NAN | 123.7° | 120.0° |
| OBD | PBC | OBE | OBF | 115.8° | 120.0° |
| OBD | PBC | NAN | OBF | 117.3° | 120.0° |
| OBD | PBC | NAN | C | 64.6° | 179.9° |
| OBD | PBC | NAN | H12 | 115.4° | 0.0° |
| OBD | PBC | OBF | H13 | 0.0° | 60.0° |
| OBD | PBC | OBE | H14 | 0.0° | 179.9° |
| OBE | PBC | NAN | OBF | 120.7° | 120.0° |
| OBE | PBC | NAN | C | 173.3° | 60.0° |
| OBE | PBC | NAN | H12 | 6.7° | 120.0° |
| OBE | PBC | OBF | H13 | 114.4° | 60.0° |
| PBC | NAN | C | H12 | 180.0° | 179.9° |
| PBC | NAN | C | O | 0.7° | 0.1° |
| PBC | NAN | C | CA | 179.1° | 180.0° |
| NAN | PBC | OBF | H13 | 118.1° | 180.0° |
| NAN | PBC | OBE | H14 | 123.7° | 60.1° |
| OBF | PBC | NAN | C | 52.6° | 59.9° |
| OBF | PBC | NAN | H12 | 127.4° | 120.0° |
| OBF | PBC | OBE | H14 | 115.8° | 59.9° |
| CE2 | CD2 | CG | H21 | 180.0° | 179.5° |
| CD2 | CE2 | CZ | H20 | 180.0° | 179.8° |
| CE2 | CD2 | CG | CB | 180.0° | 179.7° |
| CE2 | CD2 | CG | CD1 | 0.0° | 0.5° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.2° |
| CD2 | CE2 | CZ | H19 | 179.9° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.5° |
| CD2 | CG | CB | CD1 | 179.9° | 179.7° |
| CD2 | CG | CB | CA | 87.4° | 90.3° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.2° |
| CD2 | CG | CB | H15 | 32.3° | 149.7° |
| CD2 | CG | CB | H16 | 153.0° | 29.8° |
| CD2 | CG | CD1 | H17 | 179.9° | 179.8° |
| CG | CD2 | CE2 | H20 | 179.9° | 179.7° |
| NAN | C | CA | CB | 91.9° | 60.1° |
| NAN | C | O | CA | 179.8° | 179.9° |
| NAN | C | CA | N | 145.6° | 180.0° |
| NAN | C | CA | H11 | 26.5° | 59.9° |
| CE2 | CZ | CE1 | H19 | 180.0° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.1° |
| CE2 | CZ | CE1 | H18 | 179.8° | 180.0° |
| CZ | CE2 | CD2 | H21 | 179.9° | 180.0° |
| CG | CB | CA | H15 | 119.6° | 120.0° |
| CG | CB | CA | H16 | 119.7° | 120.0° |
| CG | CB | CA | C | 157.8° | 175.0° |
| CG | CB | CA | N | 79.4° | 65.0° |
| CB | CG | CD1 | CE1 | 179.8° | 180.0° |
| CG | CB | CA | H11 | 39.7° | 55.0° |
| CG | CB | H15 | H16 | 121.1° | 120.0° |
| CB | CG | CD1 | H17 | 0.2° | 0.0° |
| CB | CG | CD2 | H21 | 0.0° | 0.3° |
| CA | CB | CG | CD1 | 92.7° | 90.0° |
| CB | CA | C | O | 88.3° | 120.0° |
| CB | CA | C | N | 122.6° | 120.0° |
| CB | CA | C | H11 | 118.4° | 120.0° |
| CB | CA | N | H11 | 118.6° | 120.0° |
| CB | CA | N | C4 | 127.3° | 155.0° |
| CB | CA | N | H10 | 111.0° | 25.0° |
| CA | CB | H15 | H16 | 121.1° | 120.0° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.1° |
| CG | CD1 | CE1 | H17 | 180.0° | 180.0° |
| CD1 | CG | CB | H15 | 147.7° | 30.0° |
| CD1 | CG | CB | H16 | 27.0° | 150.0° |
| CG | CD1 | CE1 | H18 | 179.8° | 179.9° |
| CD1 | CG | CD2 | H21 | 180.0° | 180.0° |
| O | C | CA | N | 34.2° | 0.1° |
| O | C | CA | H11 | 153.3° | 120.0° |
| O | C | NAN | H12 | 179.3° | 180.0° |
| C | CA | N | H11 | 118.4° | 120.0° |
| C | CA | N | C4 | 109.7° | 85.0° |
| C | CA | N | H10 | 12.0° | 95.0° |
| CA | C | NAN | H12 | 0.9° | 0.1° |
| C | CA | CB | H15 | 38.2° | 65.0° |
| C | CA | CB | H16 | 82.5° | 55.0° |
| CZ | CE1 | CD1 | H18 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | H17 | 179.8° | 179.9° |
| CE1 | CZ | CE2 | H20 | 179.9° | 180.0° |
| CA | N | C4 | H10 | 121.7° | 180.0° |
| CA | N | C4 | N3 | 18.0° | 0.1° |
| CA | N | C4 | C5 | 163.5° | 179.7° |
| N | CA | CB | H15 | 161.0° | 55.0° |
| N | CA | CB | H16 | 40.3° | 175.0° |
| CD1 | CE1 | CZ | H19 | 179.8° | 180.0° |
| N | C4 | N3 | C5 | 178.4° | 179.8° |
| N | C4 | N3 | C2 | 179.7° | 179.9° |
| N | C4 | C5 | CAC | 1.0° | 0.1° |
| N | C4 | C5 | C6 | 179.3° | 180.0° |
| C4 | N | CA | H11 | 8.6° | 35.0° |
| C4 | N3 | C2 | N1 | 1.0° | 0.2° |
| N3 | C4 | C5 | CAC | 179.5° | 179.9° |
| N3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C4 | N3 | C2 | H9 | 179.0° | 179.9° |
| N3 | C4 | N | H10 | 139.8° | 179.9° |
| C2 | N3 | C4 | C5 | 1.3° | 0.3° |
| N3 | C2 | N1 | H9 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.3° | 0.1° |
| C4 | C5 | CAC | C6 | 179.7° | 179.9° |
| C4 | C5 | CAC | CAD | 178.7° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.1° |
| C4 | C5 | C6 | SAE | 179.8° | 179.8° |
| C4 | C5 | CAC | H8 | 1.2° | 0.0° |
| C5 | C4 | N | H10 | 41.8° | 0.3° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | SAE | 179.4° | 179.9° |
| C5 | CAC | CAD | H8 | 180.0° | 180.0° |
| CAC | C5 | C6 | N1 | 179.9° | 180.0° |
| CAC | C5 | C6 | SAE | 0.5° | 0.0° |
| C5 | CAC | CAD | CAK | 177.0° | 180.0° |
| C5 | CAC | CAD | SAE | 1.8° | 0.2° |
| C6 | C5 | CAC | CAD | 1.5° | 0.1° |
| C5 | C6 | N1 | SAE | 179.6° | 180.0° |
| C5 | C6 | SAE | CAD | 0.5° | 0.1° |
| C6 | C5 | CAC | H8 | 178.5° | 179.9° |
| CAC | CAD | CAK | CAP | 6.3° | 179.7° |
| CAC | CAD | SAE | C6 | 1.3° | 0.2° |
| CAC | CAD | CAK | SAE | 174.2° | 179.7° |
| CAC | CAD | CAK | CAT | 169.2° | 0.3° |
| CAQ | CAP | CAK | H1 | 180.0° | 179.7° |
| CAP | CAQ | CAR | H2 | 180.0° | 180.0° |
| CAQ | CAP | CAK | CAD | 176.9° | 180.0° |
| CAQ | CAP | CAK | CAT | 1.3° | 0.0° |
| CAP | CAQ | CAR | CAU | 179.7° | 180.0° |
| CAP | CAQ | CAR | CAS | 0.0° | 0.0° |
| CAK | CAP | CAQ | CAR | 0.4° | 0.0° |
| CAP | CAK | CAD | CAT | 175.5° | 180.0° |
| CAP | CAK | CAD | SAE | 179.4° | 0.0° |
| CAP | CAK | CAT | CAS | 1.7° | 0.1° |
| CAK | CAP | CAQ | H2 | 179.6° | 180.0° |
| CAP | CAK | CAT | H7 | 178.4° | 179.9° |
| N1 | C6 | SAE | CAD | 179.2° | 179.9° |
| C6 | N1 | C2 | H9 | 179.7° | 180.0° |
| C6 | SAE | CAD | CAK | 176.4° | 180.0° |
| CAQ | CAR | CAU | CAS | 179.7° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.4° | 0.1° |
| CAR | CAQ | CAP | H1 | 179.6° | 179.7° |
| CAQ | CAR | CAU | H3 | 89.9° | 90.0° |
| CAQ | CAR | CAU | H4 | 150.1° | 150.0° |
| CAQ | CAR | CAU | H5 | 30.1° | 30.0° |
| CAQ | CAR | CAS | H6 | 179.6° | 180.0° |
| CAD | CAK | CAT | CAS | 177.4° | 179.9° |
| CAD | CAK | CAP | H1 | 3.1° | 0.3° |
| CAD | CAK | CAT | H7 | 2.6° | 0.0° |
| CAK | CAD | CAC | H8 | 3.0° | 0.1° |
| SAE | CAD | CAK | CAT | 5.0° | 180.0° |
| SAE | CAD | CAC | H8 | 178.3° | 179.8° |
| CAK | CAT | CAS | CAR | 1.3° | 0.1° |
| CAK | CAT | CAS | H7 | 180.0° | 180.0° |
| CAT | CAK | CAP | H1 | 178.8° | 179.7° |
| CAK | CAT | CAS | H6 | 178.8° | 179.9° |
| CAU | CAR | CAS | CAT | 179.9° | 180.0° |
| CAU | CAR | CAQ | H2 | 0.3° | 0.0° |
| CAR | CAU | H3 | H4 | 120.0° | 120.0° |
| CAR | CAU | H3 | H5 | 120.0° | 120.0° |
| CAR | CAU | H4 | H5 | 120.0° | 120.0° |
| CAU | CAR | CAS | H6 | 0.1° | 0.0° |
| CAR | CAS | CAT | H6 | 180.0° | 179.9° |
| CAS | CAR | CAQ | H2 | 180.0° | 180.0° |
| CAS | CAR | CAU | H3 | 89.9° | 89.9° |
| CAS | CAR | CAU | H4 | 30.2° | 30.1° |
| CAS | CAR | CAU | H5 | 150.1° | 150.0° |
| CAR | CAS | CAT | H7 | 178.8° | 179.9° |
| H1 | CAP | CAQ | H2 | 0.4° | 0.3° |
| H3 | CAU | H4 | H5 | 120.0° | 120.0° |
| H6 | CAS | CAT | H7 | 1.2° | 0.0° |
| H10 | N | CA | H11 | 130.4° | 145.0° |
| H11 | CA | CB | H15 | 80.0° | 175.0° |
| H11 | CA | CB | H16 | 159.4° | 65.0° |
| H17 | CD1 | CE1 | H18 | 0.2° | 0.1° |
| H18 | CE1 | CZ | H19 | 0.2° | 0.1° |
| H19 | CZ | CE2 | H20 | 0.1° | 0.1° |
| H20 | CE2 | CD2 | H21 | 0.1° | 0.2° |
