JH7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C09 | sing | 1.39Å | 1.37Å | Aromatic |
| C09 | N08 | sing | 1.40Å | 1.36Å | |
| C04 | C05 | sing | 1.40Å | 1.49Å | |
| C04 | C03 | doub | 1.37Å | 1.31Å | |
| O06 | C05 | doub | 1.22Å | 1.19Å | |
| C05 | N07 | sing | 1.35Å | 1.40Å | |
| N08 | C03 | sing | 1.37Å | 1.36Å | |
| C03 | N02 | sing | 1.37Å | 1.42Å | |
| N07 | N02 | sing | 1.40Å | 1.35Å | |
| N02 | C01 | sing | 1.47Å | 1.38Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 118.7° | 120.1° |
| C12 | C11 | C10 | 120.4° | 120.1° |
| C12 | C11 | H111 | 119.8° | 120.0° |
| C11 | C12 | H121 | 120.6° | 119.9° |
| C12 | C13 | C14 | 120.9° | 120.1° |
| C12 | C13 | H131 | 119.5° | 119.9° |
| C13 | C12 | H121 | 120.6° | 119.9° |
| C11 | C10 | C09 | 120.9° | 119.9° |
| C11 | C10 | H101 | 119.5° | 120.0° |
| C10 | C11 | H111 | 119.8° | 120.0° |
| C13 | C14 | C09 | 120.7° | 119.9° |
| C14 | C13 | H131 | 119.5° | 120.0° |
| C13 | C14 | H141 | 119.7° | 120.1° |
| C10 | C09 | C14 | 118.2° | 119.9° |
| C10 | C09 | N08 | 120.6° | 120.1° |
| C09 | C10 | H101 | 119.6° | 120.0° |
| C14 | C09 | N08 | 121.1° | 120.0° |
| C09 | C14 | H141 | 119.6° | 120.0° |
| C09 | N08 | C03 | 130.3° | 120.1° |
| C09 | N08 | H081 | 114.8° | 119.9° |
| C05 | C04 | C03 | 110.6° | 108.0° |
| C04 | C05 | O06 | 132.9° | 126.0° |
| C04 | C05 | N07 | 102.4° | 108.0° |
| C05 | C04 | H041 | 124.7° | 126.0° |
| C04 | C03 | N08 | 127.5° | 126.0° |
| C04 | C03 | N02 | 107.4° | 108.0° |
| C03 | C04 | H041 | 124.6° | 126.0° |
| O06 | C05 | N07 | 124.6° | 126.0° |
| C05 | N07 | N02 | 110.5° | 108.0° |
| C05 | N07 | H071 | 124.7° | 126.0° |
| N08 | C03 | N02 | 124.9° | 126.0° |
| C03 | N08 | H081 | 114.8° | 120.0° |
| C03 | N02 | N07 | 108.9° | 107.9° |
| C03 | N02 | C01 | 128.7° | 126.1° |
| N07 | N02 | C01 | 122.3° | 126.0° |
| N02 | N07 | H071 | 124.7° | 125.9° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.2° |
| C12 | C11 | C10 | C09 | 2.5° | 0.0° |
| C12 | C11 | C10 | H101 | 177.5° | 179.7° |
| C11 | C12 | C13 | H131 | 179.4° | 179.7° |
| C13 | C12 | C11 | C10 | 2.5° | 0.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.5° |
| C12 | C13 | C14 | C09 | 1.3° | 0.5° |
| C13 | C12 | C11 | H111 | 177.5° | 180.0° |
| C12 | C13 | C14 | H141 | 178.7° | 180.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.6° |
| C11 | C10 | C09 | C14 | 0.6° | 0.3° |
| C11 | C10 | C09 | N08 | 177.2° | 179.7° |
| C10 | C11 | C12 | H121 | 177.5° | 180.0° |
| C13 | C14 | C09 | C10 | 1.3° | 0.5° |
| C13 | C14 | C09 | H141 | 180.0° | 179.5° |
| C13 | C14 | C09 | N08 | 179.1° | 179.5° |
| C14 | C13 | C12 | H121 | 179.4° | 179.8° |
| C10 | C09 | C14 | N08 | 177.8° | 180.0° |
| C10 | C09 | N08 | C03 | 21.4° | 173.3° |
| C10 | C09 | N08 | H081 | 158.6° | 6.8° |
| C09 | C10 | C11 | H111 | 177.5° | 179.9° |
| C10 | C09 | C14 | H141 | 178.7° | 180.0° |
| C14 | C09 | N08 | C03 | 160.8° | 6.7° |
| C14 | C09 | C10 | H101 | 179.4° | 179.9° |
| C09 | C14 | C13 | H131 | 178.7° | 180.0° |
| C14 | C09 | N08 | H081 | 19.2° | 173.2° |
| C09 | N08 | C03 | C04 | 46.2° | 122.5° |
| C09 | N08 | C03 | H081 | 180.0° | 179.9° |
| C09 | N08 | C03 | N02 | 139.5° | 57.5° |
| N08 | C09 | C10 | H101 | 2.8° | 0.1° |
| N08 | C09 | C14 | H141 | 0.9° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 179.7° |
| C04 | C05 | O06 | N07 | 175.9° | 179.6° |
| C05 | C04 | C03 | N08 | 175.6° | 179.9° |
| C05 | C04 | C03 | N02 | 0.4° | 0.0° |
| C04 | C05 | N07 | N02 | 2.2° | 0.5° |
| C04 | C05 | N07 | H071 | 177.8° | 179.9° |
| C03 | C04 | C05 | O06 | 177.6° | 180.0° |
| C03 | C04 | C05 | N07 | 1.0° | 0.3° |
| C04 | C03 | N08 | N02 | 174.4° | 179.9° |
| C04 | C03 | N02 | N07 | 1.8° | 0.3° |
| C04 | C03 | N02 | C01 | 179.2° | 180.0° |
| C04 | C03 | N08 | H081 | 133.8° | 57.5° |
| O06 | C05 | N07 | N02 | 179.1° | 179.9° |
| O06 | C05 | C04 | H041 | 2.4° | 0.4° |
| O06 | C05 | N07 | H071 | 0.8° | 0.3° |
| C05 | N07 | N02 | C03 | 2.6° | 0.5° |
| C05 | N07 | N02 | H071 | 180.0° | 179.6° |
| C05 | N07 | N02 | C01 | 178.4° | 179.8° |
| N07 | C05 | C04 | H041 | 178.9° | 180.0° |
| N08 | C03 | N02 | N07 | 177.2° | 179.8° |
| N08 | C03 | N02 | C01 | 3.9° | 0.1° |
| N08 | C03 | C04 | H041 | 4.4° | 0.3° |
| C03 | N02 | N07 | C01 | 179.1° | 179.7° |
| C03 | N02 | C01 | H013 | 180.0° | 85.0° |
| C03 | N02 | C01 | H011 | 60.0° | 155.0° |
| C03 | N02 | C01 | H012 | 60.0° | 35.0° |
| N02 | C03 | C04 | H041 | 179.6° | 179.7° |
| C03 | N02 | N07 | H071 | 177.4° | 179.9° |
| N02 | C03 | N08 | H081 | 40.5° | 122.6° |
| N07 | N02 | C01 | H013 | 1.2° | 95.4° |
| N07 | N02 | C01 | H011 | 118.8° | 24.6° |
| N07 | N02 | C01 | H012 | 121.1° | 144.6° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | N02 | N07 | H071 | 1.7° | 0.3° |
| H101 | C10 | C11 | H111 | 2.5° | 0.3° |
| H131 | C13 | C12 | H121 | 0.6° | 0.3° |
| H131 | C13 | C14 | H141 | 1.3° | 0.5° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 2.5° | 0.1° |
