284
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C6 | sing | 1.39Å | 1.38Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.50Å | 1.54Å | |
| C5 | C6 | doub | 1.32Å | 1.54Å | |
| C6 | N7 | sing | 1.39Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N7 | H71A | sing | 0.97Å | 1.00Å | |
| N7 | H72A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 124.5° | 118.8° |
| N1 | C2 | C3 | 110.8° | 107.7° |
| C2 | N1 | H1 | 104.8° | 120.6° |
| N1 | C2 | H21 | 109.0° | 109.8° |
| N1 | C2 | H22 | 108.7° | 109.8° |
| N1 | C6 | C5 | 120.2° | 121.8° |
| N1 | C6 | N7 | 119.3° | 119.1° |
| C6 | N1 | H1 | 104.8° | 120.6° |
| C2 | C3 | C4 | 111.1° | 108.6° |
| C3 | C2 | H21 | 109.0° | 109.8° |
| C3 | C2 | H22 | 108.7° | 109.9° |
| C2 | C3 | H31 | 108.9° | 109.6° |
| C2 | C3 | H32 | 108.6° | 109.6° |
| C3 | C4 | C7 | 108.9° | 109.3° |
| C3 | C4 | C5 | 112.4° | 110.3° |
| C4 | C3 | H31 | 108.9° | 109.6° |
| C4 | C3 | H32 | 108.5° | 109.6° |
| C3 | C4 | H4 | 107.6° | 109.3° |
| C7 | C4 | C5 | 108.5° | 109.3° |
| C7 | C4 | H4 | 111.5° | 109.4° |
| C4 | C7 | H71 | 109.5° | 109.4° |
| C4 | C7 | H72 | 109.5° | 109.5° |
| C4 | C7 | H73 | 109.5° | 109.5° |
| C4 | C5 | C6 | 115.0° | 122.7° |
| C5 | C4 | H4 | 107.9° | 109.2° |
| C4 | C5 | H5 | 122.5° | 118.6° |
| C5 | C6 | N7 | 120.4° | 119.1° |
| C6 | C5 | H5 | 122.5° | 118.7° |
| C6 | N7 | H71A | 109.5° | 120.0° |
| C6 | N7 | H72A | 109.5° | 120.0° |
| H21 | C2 | H22 | 110.5° | 109.8° |
| H31 | C3 | H32 | 110.8° | 109.8° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H71A | N7 | H72A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | H1 | 120.0° | 179.8° |
| N1 | C2 | C3 | H21 | 120.0° | 119.5° |
| N1 | C2 | C3 | H22 | 119.4° | 119.6° |
| N1 | C2 | C3 | C4 | 53.4° | 61.3° |
| C2 | N1 | C6 | C5 | 0.7° | 13.4° |
| C2 | N1 | C6 | N7 | 179.7° | 166.7° |
| N1 | C2 | H21 | H22 | 119.4° | 120.8° |
| N1 | C2 | C3 | H31 | 66.5° | 58.4° |
| N1 | C2 | C3 | H32 | 172.7° | 179.0° |
| C6 | N1 | C2 | C3 | 25.8° | 43.9° |
| N1 | C6 | C5 | C4 | 1.4° | 0.4° |
| N1 | C6 | C5 | N7 | 179.0° | 179.9° |
| C6 | N1 | C2 | H21 | 145.8° | 163.4° |
| C6 | N1 | C2 | H22 | 93.7° | 75.8° |
| N1 | C6 | C5 | H5 | 178.6° | 179.6° |
| N1 | C6 | N7 | H71A | 95.8° | 0.1° |
| N1 | C6 | N7 | H72A | 144.3° | 180.0° |
| C2 | C3 | C4 | H31 | 120.0° | 119.8° |
| C2 | C3 | C4 | H32 | 119.3° | 119.7° |
| C2 | C3 | C4 | C7 | 176.9° | 170.0° |
| C2 | C3 | C4 | C5 | 56.6° | 49.8° |
| C3 | C2 | N1 | H1 | 145.8° | 136.4° |
| C3 | C2 | H21 | H22 | 119.5° | 120.9° |
| C2 | C3 | H31 | H32 | 119.4° | 120.4° |
| C2 | C3 | C4 | H4 | 62.1° | 70.3° |
| C3 | C4 | C7 | C5 | 122.7° | 120.8° |
| C3 | C4 | C7 | H4 | 118.5° | 119.7° |
| C3 | C4 | C5 | H4 | 118.5° | 120.2° |
| C3 | C4 | C5 | C6 | 29.7° | 20.1° |
| C4 | C3 | C2 | H21 | 173.5° | 179.2° |
| C4 | C3 | C2 | H22 | 66.0° | 58.2° |
| C4 | C3 | H31 | H32 | 119.3° | 120.4° |
| C3 | C4 | C7 | H71 | 9.1° | 60.1° |
| C3 | C4 | C7 | H72 | 129.1° | 180.0° |
| C3 | C4 | C7 | H73 | 110.9° | 59.9° |
| C3 | C4 | C5 | H5 | 150.2° | 159.9° |
| C7 | C4 | C5 | H4 | 121.0° | 119.6° |
| C7 | C4 | C5 | C6 | 150.3° | 140.3° |
| C7 | C4 | C3 | H31 | 56.9° | 50.2° |
| C7 | C4 | C3 | H32 | 63.8° | 70.3° |
| C4 | C7 | H71 | H72 | 120.0° | 119.9° |
| C4 | C7 | H71 | H73 | 120.0° | 120.0° |
| C4 | C7 | H72 | H73 | 120.0° | 120.1° |
| C7 | C4 | C5 | H5 | 29.7° | 39.7° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N7 | 177.6° | 179.6° |
| C5 | C4 | C3 | H31 | 63.4° | 70.0° |
| C5 | C4 | C3 | H32 | 175.9° | 169.5° |
| C5 | C4 | C7 | H71 | 131.8° | 179.1° |
| C5 | C4 | C7 | H72 | 108.2° | 59.2° |
| C5 | C4 | C7 | H73 | 11.8° | 60.9° |
| C5 | C6 | N1 | H1 | 119.4° | 166.9° |
| C6 | C5 | C4 | H4 | 88.7° | 100.1° |
| C5 | C6 | N7 | H71A | 85.2° | 180.0° |
| C5 | C6 | N7 | H72A | 34.7° | 0.1° |
| N7 | C6 | N1 | H1 | 59.6° | 13.1° |
| N7 | C6 | C5 | H5 | 2.4° | 0.4° |
| C6 | N7 | H71A | H72A | 120.0° | 179.9° |
| H1 | N1 | C2 | H21 | 94.2° | 16.8° |
| H1 | N1 | C2 | H22 | 26.3° | 104.0° |
| H21 | C2 | C3 | H31 | 53.5° | 61.1° |
| H21 | C2 | C3 | H32 | 67.2° | 59.5° |
| H22 | C2 | C3 | H31 | 174.0° | 178.0° |
| H22 | C2 | C3 | H32 | 53.3° | 61.4° |
| H31 | C3 | C4 | H4 | 177.9° | 170.0° |
| H32 | C3 | C4 | H4 | 57.2° | 49.4° |
| H4 | C4 | C7 | H71 | 109.5° | 59.6° |
| H4 | C4 | C7 | H72 | 10.6° | 60.3° |
| H4 | C4 | C7 | H73 | 130.5° | 179.6° |
| H4 | C4 | C5 | H5 | 91.3° | 80.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
