CHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C4 | C3 | sing | 1.53Å | 1.57Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN11 | 116.9° | 106.7° |
| C1 | N1 | HN12 | 109.5° | 106.7° |
| N1 | C1 | C2 | 117.0° | 109.5° |
| N1 | C1 | H11 | 109.5° | 109.4° |
| N1 | C1 | H12 | 109.5° | 109.5° |
| HN11 | N1 | HN12 | 109.5° | 106.7° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C1 | C2 | C7 | 111.9° | 109.5° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C1 | C2 | H21 | 108.1° | 109.5° |
| H11 | C1 | H12 | 100.6° | 109.4° |
| C7 | C2 | C3 | 113.9° | 109.5° |
| C7 | C2 | H21 | 105.3° | 109.4° |
| C2 | C7 | C6 | 115.2° | 109.5° |
| C2 | C7 | H71 | 110.1° | 109.6° |
| C2 | C7 | H72 | 110.1° | 109.5° |
| C3 | C2 | H21 | 105.8° | 109.4° |
| C2 | C3 | C4 | 114.5° | 109.5° |
| C2 | C3 | H31 | 110.4° | 109.4° |
| C2 | C3 | H32 | 110.4° | 109.5° |
| C6 | C7 | H71 | 110.1° | 109.5° |
| C6 | C7 | H72 | 110.1° | 109.4° |
| C7 | C6 | C5 | 108.8° | 109.5° |
| C7 | C6 | H61 | 112.4° | 109.4° |
| C7 | C6 | H62 | 112.5° | 109.5° |
| H71 | C7 | H72 | 100.2° | 109.4° |
| C5 | C6 | H61 | 112.5° | 109.5° |
| C5 | C6 | H62 | 112.5° | 109.5° |
| C6 | C5 | C4 | 106.6° | 109.5° |
| C6 | C5 | N2 | 114.2° | 109.5° |
| C6 | C5 | H51 | 109.5° | 109.4° |
| H61 | C6 | H62 | 98.0° | 109.5° |
| C4 | C5 | N2 | 112.6° | 109.5° |
| C4 | C5 | H51 | 111.1° | 109.5° |
| C5 | C4 | C3 | 108.2° | 109.4° |
| C5 | C4 | H41 | 112.7° | 109.5° |
| C5 | C4 | H42 | 112.7° | 109.5° |
| N2 | C5 | H51 | 103.0° | 109.5° |
| C5 | N2 | HN21 | 114.1° | 106.7° |
| C5 | N2 | HN22 | 110.5° | 106.7° |
| C3 | C4 | H41 | 112.7° | 109.5° |
| C3 | C4 | H42 | 112.7° | 109.5° |
| C4 | C3 | H31 | 110.4° | 109.5° |
| C4 | C3 | H32 | 110.4° | 109.5° |
| H41 | C4 | H42 | 97.7° | 109.5° |
| H31 | C3 | H32 | 99.9° | 109.4° |
| HN21 | N2 | HN22 | 110.6° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | HN11 | HN12 | 125.2° | 113.8° |
| N1 | C1 | C2 | H11 | 125.3° | 120.0° |
| N1 | C1 | C2 | H12 | 125.3° | 120.0° |
| N1 | C1 | H11 | H12 | 115.3° | 119.9° |
| N1 | C1 | C2 | C7 | 68.2° | 179.9° |
| N1 | C1 | C2 | C3 | 60.5° | 60.0° |
| N1 | C1 | C2 | H21 | 176.3° | 60.0° |
| HN11 | N1 | C1 | C2 | 180.0° | 66.2° |
| HN11 | N1 | C1 | H11 | 54.8° | 53.8° |
| HN11 | N1 | C1 | H12 | 54.7° | 173.8° |
| HN12 | N1 | C1 | C2 | 54.7° | 180.0° |
| HN12 | N1 | C1 | H11 | 180.0° | 60.0° |
| HN12 | N1 | C1 | H12 | 70.6° | 59.9° |
| C2 | C1 | H11 | H12 | 115.2° | 120.0° |
| C1 | C2 | C7 | C3 | 127.4° | 120.1° |
| C1 | C2 | C7 | H21 | 117.2° | 120.0° |
| C1 | C2 | C3 | H21 | 117.2° | 120.0° |
| C1 | C2 | C7 | C6 | 163.4° | 180.0° |
| C1 | C2 | C7 | H71 | 71.4° | 59.9° |
| C1 | C2 | C7 | H72 | 38.1° | 60.0° |
| C1 | C2 | C3 | C4 | 164.4° | 180.0° |
| C1 | C2 | C3 | H31 | 39.2° | 60.0° |
| C1 | C2 | C3 | H32 | 70.3° | 59.9° |
| H11 | C1 | C2 | C7 | 166.5° | 59.9° |
| H11 | C1 | C2 | C3 | 64.8° | 180.0° |
| H11 | C1 | C2 | H21 | 51.0° | 60.0° |
| H12 | C1 | C2 | C7 | 57.1° | 60.0° |
| H12 | C1 | C2 | C3 | 174.2° | 60.0° |
| H12 | C1 | C2 | H21 | 58.4° | 180.0° |
| C7 | C2 | C3 | H21 | 115.1° | 119.9° |
| C2 | C7 | C6 | H71 | 125.2° | 120.1° |
| C2 | C7 | C6 | H72 | 125.3° | 120.0° |
| C2 | C7 | H71 | H72 | 115.9° | 120.0° |
| C2 | C7 | C6 | C5 | 52.1° | 60.0° |
| C2 | C7 | C6 | H61 | 73.2° | 60.0° |
| C2 | C7 | C6 | H62 | 177.4° | 180.0° |
| C7 | C2 | C3 | C4 | 36.8° | 60.0° |
| C7 | C2 | C3 | H31 | 88.5° | 60.1° |
| C7 | C2 | C3 | H32 | 162.0° | 179.9° |
| C3 | C2 | C7 | C6 | 36.0° | 59.9° |
| C3 | C2 | C7 | H71 | 161.2° | 180.0° |
| C3 | C2 | C7 | H72 | 89.3° | 60.0° |
| C2 | C3 | C4 | C5 | 53.4° | 60.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.2° | 120.1° |
| C2 | C3 | C4 | H41 | 71.9° | 60.0° |
| C2 | C3 | C4 | H42 | 178.7° | 180.0° |
| C2 | C3 | H31 | H32 | 116.2° | 119.9° |
| H21 | C2 | C7 | C6 | 79.4° | 60.0° |
| H21 | C2 | C7 | H71 | 45.8° | 60.1° |
| H21 | C2 | C7 | H72 | 155.3° | 180.0° |
| H21 | C2 | C3 | C4 | 78.3° | 60.0° |
| H21 | C2 | C3 | H31 | 156.4° | 180.0° |
| H21 | C2 | C3 | H32 | 46.9° | 60.1° |
| C6 | C7 | H71 | H72 | 116.0° | 119.9° |
| C7 | C6 | C5 | H61 | 125.3° | 119.9° |
| C7 | C6 | C5 | H62 | 125.3° | 120.0° |
| C7 | C6 | H61 | H62 | 118.4° | 120.0° |
| C7 | C6 | C5 | C4 | 68.1° | 60.0° |
| C7 | C6 | C5 | N2 | 167.0° | 60.1° |
| C7 | C6 | C5 | H51 | 52.1° | 180.0° |
| H71 | C7 | C6 | C5 | 177.3° | 179.9° |
| H71 | C7 | C6 | H61 | 52.0° | 60.1° |
| H71 | C7 | C6 | H62 | 57.4° | 59.9° |
| H72 | C7 | C6 | C5 | 73.2° | 60.1° |
| H72 | C7 | C6 | H61 | 161.5° | 179.9° |
| H72 | C7 | C6 | H62 | 52.1° | 59.9° |
| C5 | C6 | H61 | H62 | 118.4° | 120.0° |
| C6 | C5 | C4 | N2 | 125.9° | 120.0° |
| C6 | C5 | C4 | H51 | 119.2° | 120.0° |
| C6 | C5 | N2 | H51 | 118.6° | 120.0° |
| C6 | C5 | C4 | C3 | 68.9° | 60.0° |
| C6 | C5 | C4 | H41 | 56.4° | 60.0° |
| C6 | C5 | C4 | H42 | 165.9° | 180.0° |
| C6 | C5 | N2 | HN21 | 180.0° | 180.0° |
| C6 | C5 | N2 | HN22 | 54.7° | 66.3° |
| H61 | C6 | C5 | C4 | 57.2° | 59.9° |
| H61 | C6 | C5 | N2 | 67.8° | 180.0° |
| H61 | C6 | C5 | H51 | 177.4° | 60.0° |
| H62 | C6 | C5 | C4 | 166.6° | 180.0° |
| H62 | C6 | C5 | N2 | 41.7° | 59.9° |
| H62 | C6 | C5 | H51 | 73.1° | 60.0° |
| C4 | C5 | N2 | H51 | 119.7° | 120.0° |
| C5 | C4 | C3 | H41 | 125.3° | 120.0° |
| C5 | C4 | C3 | H42 | 125.3° | 120.0° |
| C5 | C4 | H41 | H42 | 118.6° | 120.0° |
| C5 | C4 | C3 | H31 | 71.8° | 60.0° |
| C5 | C4 | C3 | H32 | 178.6° | 179.9° |
| C4 | C5 | N2 | HN21 | 58.3° | 60.0° |
| C4 | C5 | N2 | HN22 | 176.4° | 173.7° |
| N2 | C5 | C4 | C3 | 165.2° | 60.0° |
| N2 | C5 | C4 | H41 | 69.5° | 180.0° |
| N2 | C5 | C4 | H42 | 40.0° | 60.0° |
| C5 | N2 | HN21 | HN22 | 125.3° | 113.8° |
| H51 | C5 | C4 | C3 | 50.3° | 180.0° |
| H51 | C5 | C4 | H41 | 175.6° | 60.0° |
| H51 | C5 | C4 | H42 | 75.0° | 60.0° |
| H51 | C5 | N2 | HN21 | 61.5° | 60.1° |
| H51 | C5 | N2 | HN22 | 63.9° | 53.7° |
| C3 | C4 | H41 | H42 | 118.6° | 120.1° |
| C4 | C3 | H31 | H32 | 116.2° | 120.0° |
| H41 | C4 | C3 | H31 | 162.9° | 180.0° |
| H41 | C4 | C3 | H32 | 53.4° | 60.1° |
| H42 | C4 | C3 | H31 | 53.4° | 60.0° |
| H42 | C4 | C3 | H32 | 56.1° | 59.9° |
