NHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.45Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C7 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C3 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.42Å | 1.46Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | HC2 | sing | 1.09Å | 1.08Å | |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C6 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C4 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | CG | sing | 1.54Å | 1.57Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| CG | CD | sing | 1.52Å | 1.54Å | |
| CG | CB | sing | 1.54Å | 1.57Å | |
| CG | HG | sing | 1.10Å | 1.10Å | |
| CD | OE1 | doub | 1.22Å | 1.33Å | |
| CD | OE2 | sing | 1.36Å | 1.24Å | |
| OE2 | HE2 | sing | 0.98Å | 0.95Å | |
| CB | CA | sing | 1.54Å | 1.55Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CA | N | sing | 1.46Å | 1.50Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| CA | H15 | sing | 1.10Å | 1.10Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| C | O | doub | 1.22Å | 1.33Å | |
| C | OXT | sing | 1.36Å | 1.21Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.6° | 119.4° |
| C7 | C8 | H8 | 119.7° | 119.5° |
| C8 | C7 | C3 | 120.3° | 120.7° |
| C8 | C7 | H7 | 119.9° | 118.8° |
| C9 | C8 | H8 | 119.7° | 121.2° |
| C8 | C9 | C10 | 119.6° | 121.3° |
| C8 | C9 | C11 | 119.6° | 119.3° |
| C3 | C7 | H7 | 119.9° | 120.5° |
| C7 | C3 | C2 | 120.1° | 121.5° |
| C7 | C3 | C4 | 119.6° | 119.3° |
| C2 | C3 | C4 | 120.3° | 119.2° |
| C3 | C2 | C1 | 119.9° | 120.7° |
| C3 | C2 | HC2 | 120.0° | 120.5° |
| C3 | C4 | C5 | 119.1° | 119.3° |
| C3 | C4 | C10 | 120.1° | 119.3° |
| C1 | C2 | HC2 | 120.0° | 118.8° |
| C2 | C1 | C6 | 120.2° | 120.0° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C6 | C1 | H1 | 119.9° | 120.1° |
| C1 | C6 | C5 | 120.5° | 120.0° |
| C1 | C6 | H6 | 119.7° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C6 | C5 | C4 | 119.9° | 120.7° |
| C6 | C5 | H5 | 120.0° | 118.8° |
| C4 | C5 | H5 | 120.1° | 120.5° |
| C5 | C4 | C10 | 120.8° | 121.4° |
| C4 | C10 | C9 | 119.9° | 120.0° |
| C4 | C10 | H10 | 120.0° | 120.1° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C10 | C9 | C11 | 120.8° | 119.3° |
| C9 | C11 | CG | 110.8° | 115.9° |
| C9 | C11 | H111 | 109.0° | 108.2° |
| C9 | C11 | H112 | 108.7° | 108.8° |
| CG | C11 | H111 | 109.0° | 109.5° |
| CG | C11 | H112 | 108.7° | 108.9° |
| C11 | CG | CD | 110.0° | 110.7° |
| C11 | CG | CB | 110.4° | 112.4° |
| C11 | CG | HG | 108.9° | 107.1° |
| H111 | C11 | H112 | 110.5° | 105.0° |
| CD | CG | CB | 110.5° | 111.6° |
| CD | CG | HG | 108.7° | 107.1° |
| CG | CD | OE1 | 119.5° | 125.1° |
| CG | CD | OE2 | 122.1° | 112.2° |
| CB | CG | HG | 108.3° | 107.7° |
| CG | CB | CA | 118.3° | 114.7° |
| CG | CB | HB3 | 106.7° | 109.5° |
| CG | CB | HB2 | 104.6° | 109.2° |
| OE1 | CD | OE2 | 118.3° | 122.8° |
| CD | OE2 | HE2 | 109.5° | 115.3° |
| CA | CB | HB3 | 106.6° | 108.6° |
| CA | CB | HB2 | 104.6° | 108.8° |
| CB | CA | N | 109.8° | 111.8° |
| CB | CA | C | 108.2° | 109.6° |
| CB | CA | H15 | 110.9° | 111.5° |
| HB3 | CB | HB2 | 116.6° | 105.7° |
| N | CA | C | 111.9° | 107.4° |
| N | CA | H15 | 107.2° | 108.3° |
| CA | N | H | 109.5° | 117.9° |
| CA | N | H2 | 109.5° | 118.0° |
| C | CA | H15 | 108.8° | 108.0° |
| CA | C | O | 117.1° | 126.3° |
| CA | C | OXT | 121.8° | 110.3° |
| H | N | H2 | 109.4° | 122.7° |
| O | C | OXT | 121.1° | 123.3° |
| C | OXT | HXT | 109.5° | 111.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C3 | H7 | 180.0° | 179.9° |
| C8 | C7 | C3 | C2 | 179.9° | 180.0° |
| C8 | C7 | C3 | C4 | 0.1° | 0.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C7 | C8 | C9 | C11 | 179.7° | 180.0° |
| C9 | C8 | C7 | C3 | 0.2° | 0.0° |
| C9 | C8 | C7 | H7 | 179.8° | 179.9° |
| C8 | C9 | C10 | C4 | 0.4° | 0.0° |
| C8 | C9 | C10 | C11 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C8 | C9 | C11 | CG | 68.1° | 90.0° |
| C8 | C9 | C11 | H111 | 52.0° | 146.6° |
| C8 | C9 | C11 | H112 | 172.5° | 33.1° |
| H8 | C8 | C7 | C3 | 179.8° | 179.9° |
| H8 | C8 | C7 | H7 | 0.2° | 0.0° |
| H8 | C8 | C9 | C10 | 179.5° | 180.0° |
| H8 | C8 | C9 | C11 | 0.3° | 0.0° |
| C7 | C3 | C2 | C4 | 180.0° | 179.9° |
| C7 | C3 | C2 | C1 | 180.0° | 180.0° |
| C7 | C3 | C2 | HC2 | 0.0° | 0.0° |
| C7 | C3 | C4 | C5 | 179.9° | 180.0° |
| C7 | C3 | C4 | C10 | 0.1° | 0.0° |
| H7 | C7 | C3 | C2 | 0.1° | 0.1° |
| H7 | C7 | C3 | C4 | 179.9° | 180.0° |
| C3 | C2 | C1 | HC2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C10 | 179.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C4 | C3 | C2 | HC2 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | C10 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C10 | C9 | 0.1° | 0.0° |
| C3 | C4 | C10 | H10 | 179.8° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| HC2 | C2 | C1 | C6 | 180.0° | 180.0° |
| HC2 | C2 | C1 | H1 | 0.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| H1 | C1 | C6 | C5 | 180.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C10 | 179.8° | 180.0° |
| H6 | C6 | C5 | C4 | 180.0° | 180.0° |
| H6 | C6 | C5 | H5 | 0.0° | 0.0° |
| C5 | C4 | C10 | C9 | 179.6° | 180.0° |
| C5 | C4 | C10 | H10 | 0.4° | 0.0° |
| H5 | C5 | C4 | C10 | 0.2° | 0.0° |
| C4 | C10 | C9 | H10 | 180.0° | 180.0° |
| C4 | C10 | C9 | C11 | 179.7° | 179.9° |
| C10 | C9 | C11 | CG | 112.1° | 90.0° |
| C10 | C9 | C11 | H111 | 127.9° | 33.4° |
| C10 | C9 | C11 | H112 | 7.4° | 146.9° |
| H10 | C10 | C9 | C11 | 0.3° | 0.0° |
| C9 | C11 | CG | H111 | 120.0° | 122.7° |
| C9 | C11 | CG | H112 | 119.5° | 123.0° |
| C9 | C11 | H111 | H112 | 119.5° | 116.0° |
| C9 | C11 | CG | CD | 131.2° | 76.4° |
| C9 | C11 | CG | CB | 106.6° | 158.1° |
| C9 | C11 | CG | HG | 12.2° | 40.0° |
| CG | C11 | H111 | H112 | 119.5° | 116.8° |
| C11 | CG | CD | CB | 122.1° | 126.0° |
| C11 | CG | CD | HG | 119.1° | 116.4° |
| C11 | CG | CB | HG | 119.1° | 117.7° |
| C11 | CG | CD | OE1 | 103.7° | 63.6° |
| C11 | CG | CD | OE2 | 76.6° | 117.1° |
| C11 | CG | CB | CA | 179.6° | 177.3° |
| C11 | CG | CB | HB3 | 60.4° | 54.9° |
| C11 | CG | CB | HB2 | 63.7° | 60.4° |
| H111 | C11 | CG | CD | 11.2° | 46.3° |
| H111 | C11 | CG | CB | 133.4° | 79.2° |
| H111 | C11 | CG | HG | 107.8° | 162.7° |
| H112 | C11 | CG | CD | 109.3° | 160.6° |
| H112 | C11 | CG | CB | 12.9° | 35.1° |
| H112 | C11 | CG | HG | 131.7° | 83.0° |
| CD | CG | CB | HG | 119.0° | 117.2° |
| CG | CD | OE1 | OE2 | 179.8° | 179.2° |
| CG | CD | OE2 | HE2 | 179.7° | 179.3° |
| CD | CG | CB | CA | 57.7° | 57.7° |
| CD | CG | CB | HB3 | 177.7° | 180.0° |
| CD | CG | CB | HB2 | 58.2° | 64.7° |
| CB | CG | CD | OE1 | 134.2° | 62.4° |
| CB | CG | CD | OE2 | 45.5° | 116.9° |
| CG | CB | CA | HB3 | 120.0° | 122.9° |
| CG | CB | CA | HB2 | 115.9° | 122.6° |
| CG | CB | HB3 | HB2 | 116.4° | 117.5° |
| CG | CB | CA | N | 48.9° | 63.8° |
| CG | CB | CA | C | 171.2° | 177.2° |
| CG | CB | CA | H15 | 69.5° | 57.6° |
| HG | CG | CD | OE1 | 15.4° | 180.0° |
| HG | CG | CD | OE2 | 164.3° | 0.7° |
| HG | CG | CB | CA | 61.3° | 59.5° |
| HG | CG | CB | HB3 | 58.7° | 62.8° |
| HG | CG | CB | HB2 | 177.2° | 178.1° |
| OE1 | CD | OE2 | HE2 | 0.0° | 0.0° |
| CA | CB | HB3 | HB2 | 116.4° | 116.6° |
| CB | CA | N | C | 120.2° | 120.3° |
| CB | CA | N | H15 | 120.6° | 123.3° |
| CB | CA | C | H15 | 120.6° | 121.7° |
| CB | CA | N | H | 75.6° | 146.9° |
| CB | CA | N | H2 | 164.5° | 46.5° |
| CB | CA | C | O | 105.4° | 118.3° |
| CB | CA | C | OXT | 73.9° | 62.1° |
| HB3 | CB | CA | N | 71.1° | 59.1° |
| HB3 | CB | CA | C | 51.2° | 60.0° |
| HB3 | CB | CA | H15 | 170.5° | 179.5° |
| HB2 | CB | CA | N | 164.7° | 173.6° |
| HB2 | CB | CA | C | 72.9° | 54.6° |
| HB2 | CB | CA | H15 | 46.4° | 64.9° |
| N | CA | C | H15 | 118.3° | 116.6° |
| CA | N | H | H2 | 120.0° | 165.9° |
| N | CA | C | O | 15.7° | 3.4° |
| N | CA | C | OXT | 165.0° | 176.2° |
| C | CA | N | H | 44.6° | 92.8° |
| C | CA | N | H2 | 75.3° | 73.8° |
| CA | C | O | OXT | 179.4° | 179.6° |
| CA | C | OXT | HXT | 179.3° | 179.6° |
| H15 | CA | N | H | 163.8° | 23.7° |
| H15 | CA | N | H2 | 43.9° | 169.8° |
| H15 | CA | C | O | 133.9° | 120.0° |
| H15 | CA | C | OXT | 46.7° | 59.6° |
| O | C | OXT | HXT | 0.0° | 0.0° |
