NET
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.55Å | |
| N1 | C3 | sing | 1.47Å | 1.57Å | |
| N1 | C5 | sing | 1.47Å | 1.56Å | |
| N1 | C7 | sing | 1.47Å | 1.56Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C3 | 112.4° | 109.5° |
| C1 | N1 | C5 | 105.9° | 109.5° |
| C1 | N1 | C7 | 110.3° | 109.5° |
| N1 | C1 | C2 | 113.0° | 109.5° |
| N1 | C1 | H11 | 110.9° | 109.5° |
| N1 | C1 | H12 | 110.9° | 109.5° |
| C3 | N1 | C5 | 111.4° | 109.5° |
| C3 | N1 | C7 | 108.3° | 109.5° |
| N1 | C3 | C4 | 112.8° | 109.5° |
| N1 | C3 | H31 | 111.1° | 109.5° |
| N1 | C3 | H32 | 111.0° | 109.5° |
| C5 | N1 | C7 | 108.6° | 109.5° |
| N1 | C5 | C6 | 111.7° | 109.5° |
| N1 | C5 | H51 | 111.4° | 109.5° |
| N1 | C5 | H52 | 111.4° | 109.5° |
| N1 | C7 | C8 | 108.7° | 109.5° |
| N1 | C7 | H71 | 112.5° | 109.5° |
| N1 | C7 | H72 | 112.5° | 109.5° |
| C2 | C1 | H11 | 111.0° | 109.4° |
| C2 | C1 | H12 | 110.9° | 109.4° |
| C1 | C2 | H21 | 113.0° | 109.5° |
| C1 | C2 | H22 | 110.9° | 109.5° |
| C1 | C2 | H23 | 110.9° | 109.5° |
| H11 | C1 | H12 | 99.4° | 109.5° |
| H21 | C2 | H22 | 111.0° | 109.5° |
| H21 | C2 | H23 | 111.0° | 109.5° |
| H22 | C2 | H23 | 99.4° | 109.4° |
| C4 | C3 | H31 | 111.0° | 109.4° |
| C4 | C3 | H32 | 111.0° | 109.4° |
| C3 | C4 | H41 | 112.7° | 109.5° |
| C3 | C4 | H42 | 111.0° | 109.5° |
| C3 | C4 | H43 | 111.0° | 109.4° |
| H31 | C3 | H32 | 99.3° | 109.5° |
| H41 | C4 | H42 | 111.0° | 109.5° |
| H41 | C4 | H43 | 111.0° | 109.5° |
| H42 | C4 | H43 | 99.4° | 109.5° |
| C6 | C5 | H51 | 111.4° | 109.4° |
| C6 | C5 | H52 | 111.3° | 109.4° |
| C5 | C6 | H61 | 111.7° | 109.5° |
| C5 | C6 | H62 | 111.4° | 109.5° |
| C5 | C6 | H63 | 111.4° | 109.5° |
| H51 | C5 | H52 | 99.0° | 109.5° |
| H61 | C6 | H62 | 111.4° | 109.4° |
| H61 | C6 | H63 | 111.4° | 109.5° |
| H62 | C6 | H63 | 98.9° | 109.5° |
| C8 | C7 | H71 | 112.5° | 109.4° |
| C8 | C7 | H72 | 112.5° | 109.4° |
| C7 | C8 | H81 | 108.7° | 109.5° |
| C7 | C8 | H82 | 112.4° | 109.5° |
| C7 | C8 | H83 | 112.5° | 109.5° |
| H71 | C7 | H72 | 98.0° | 109.5° |
| H81 | C8 | H82 | 112.6° | 109.5° |
| H81 | C8 | H83 | 112.5° | 109.4° |
| H82 | C8 | H83 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C3 | C5 | 118.6° | 120.0° |
| C1 | N1 | C3 | C7 | 122.0° | 120.0° |
| C1 | N1 | C5 | C7 | 118.4° | 120.0° |
| N1 | C1 | C2 | H11 | 125.2° | 120.0° |
| N1 | C1 | C2 | H12 | 125.3° | 120.0° |
| N1 | C1 | H11 | H12 | 116.8° | 120.0° |
| N1 | C1 | C2 | H21 | 180.0° | 180.0° |
| N1 | C1 | C2 | H22 | 54.7° | 60.0° |
| N1 | C1 | C2 | H23 | 54.7° | 60.0° |
| C1 | N1 | C3 | C4 | 46.1° | 60.0° |
| C1 | N1 | C3 | H31 | 79.2° | 60.0° |
| C1 | N1 | C3 | H32 | 171.3° | 180.0° |
| C1 | N1 | C5 | C6 | 167.7° | 60.0° |
| C1 | N1 | C5 | H51 | 67.0° | 180.0° |
| C1 | N1 | C5 | H52 | 42.6° | 60.0° |
| C1 | N1 | C7 | C8 | 75.7° | 180.0° |
| C1 | N1 | C7 | H71 | 159.1° | 60.0° |
| C1 | N1 | C7 | H72 | 49.6° | 60.0° |
| C3 | N1 | C5 | C7 | 119.2° | 120.0° |
| C3 | N1 | C1 | C2 | 56.0° | 60.0° |
| C3 | N1 | C1 | H11 | 69.3° | 180.0° |
| C3 | N1 | C1 | H12 | 178.7° | 60.0° |
| N1 | C3 | C4 | H31 | 125.3° | 120.0° |
| N1 | C3 | C4 | H32 | 125.3° | 120.0° |
| N1 | C3 | H31 | H32 | 116.9° | 120.0° |
| N1 | C3 | C4 | H41 | 180.0° | 180.0° |
| N1 | C3 | C4 | H42 | 54.8° | 60.0° |
| N1 | C3 | C4 | H43 | 54.7° | 60.0° |
| C3 | N1 | C5 | C6 | 45.3° | 180.0° |
| C3 | N1 | C5 | H51 | 170.6° | 60.0° |
| C3 | N1 | C5 | H52 | 79.9° | 60.0° |
| C3 | N1 | C7 | C8 | 160.9° | 60.0° |
| C3 | N1 | C7 | H71 | 35.7° | 180.0° |
| C3 | N1 | C7 | H72 | 73.8° | 60.0° |
| C5 | N1 | C1 | C2 | 177.8° | 60.0° |
| C5 | N1 | C1 | H11 | 52.5° | 60.0° |
| C5 | N1 | C1 | H12 | 57.0° | 180.0° |
| C5 | N1 | C3 | C4 | 72.5° | 180.0° |
| C5 | N1 | C3 | H31 | 162.2° | 60.0° |
| C5 | N1 | C3 | H32 | 52.8° | 60.0° |
| N1 | C5 | C6 | H51 | 125.3° | 120.0° |
| N1 | C5 | C6 | H52 | 125.2° | 120.0° |
| N1 | C5 | H51 | H52 | 117.3° | 120.0° |
| N1 | C5 | C6 | H61 | 180.0° | 60.0° |
| N1 | C5 | C6 | H62 | 54.7° | 60.0° |
| N1 | C5 | C6 | H63 | 54.7° | 180.0° |
| C5 | N1 | C7 | C8 | 39.9° | 60.0° |
| C5 | N1 | C7 | H71 | 85.4° | 60.0° |
| C5 | N1 | C7 | H72 | 165.2° | 180.0° |
| C7 | N1 | C1 | C2 | 64.9° | 180.0° |
| C7 | N1 | C1 | H11 | 169.8° | 60.0° |
| C7 | N1 | C1 | H12 | 60.3° | 60.0° |
| C7 | N1 | C3 | C4 | 168.1° | 60.0° |
| C7 | N1 | C3 | H31 | 42.9° | 180.0° |
| C7 | N1 | C3 | H32 | 66.6° | 60.0° |
| C7 | N1 | C5 | C6 | 73.9° | 60.0° |
| C7 | N1 | C5 | H51 | 51.4° | 60.0° |
| C7 | N1 | C5 | H52 | 161.0° | 180.0° |
| N1 | C7 | C8 | H71 | 125.2° | 120.0° |
| N1 | C7 | C8 | H72 | 125.3° | 120.0° |
| N1 | C7 | H71 | H72 | 118.4° | 120.1° |
| N1 | C7 | C8 | H81 | 180.0° | 60.0° |
| N1 | C7 | C8 | H82 | 54.7° | 180.0° |
| N1 | C7 | C8 | H83 | 54.7° | 60.0° |
| C2 | C1 | H11 | H12 | 116.8° | 119.9° |
| C1 | C2 | H21 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H23 | 125.2° | 120.0° |
| C1 | C2 | H22 | H23 | 116.7° | 120.0° |
| H11 | C1 | C2 | H21 | 54.8° | 60.0° |
| H11 | C1 | C2 | H22 | 179.9° | 60.1° |
| H11 | C1 | C2 | H23 | 70.5° | 180.0° |
| H12 | C1 | C2 | H21 | 54.7° | 60.0° |
| H12 | C1 | C2 | H22 | 70.6° | 180.0° |
| H12 | C1 | C2 | H23 | 180.0° | 60.0° |
| H21 | C2 | H22 | H23 | 116.8° | 120.0° |
| C4 | C3 | H31 | H32 | 116.8° | 119.9° |
| C3 | C4 | H41 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H43 | 125.3° | 120.0° |
| C3 | C4 | H42 | H43 | 116.9° | 120.0° |
| H31 | C3 | C4 | H41 | 54.7° | 60.0° |
| H31 | C3 | C4 | H42 | 179.9° | 180.0° |
| H31 | C3 | C4 | H43 | 70.6° | 60.0° |
| H32 | C3 | C4 | H41 | 54.7° | 60.0° |
| H32 | C3 | C4 | H42 | 70.5° | 60.0° |
| H32 | C3 | C4 | H43 | 180.0° | 180.0° |
| H41 | C4 | H42 | H43 | 117.0° | 120.0° |
| C6 | C5 | H51 | H52 | 117.3° | 119.9° |
| C5 | C6 | H61 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H63 | 125.3° | 120.1° |
| C5 | C6 | H62 | H63 | 117.3° | 120.0° |
| H51 | C5 | C6 | H61 | 54.8° | 180.0° |
| H51 | C5 | C6 | H62 | 180.0° | 60.1° |
| H51 | C5 | C6 | H63 | 70.5° | 60.0° |
| H52 | C5 | C6 | H61 | 54.8° | 60.0° |
| H52 | C5 | C6 | H62 | 70.5° | 180.0° |
| H52 | C5 | C6 | H63 | 180.0° | 60.0° |
| H61 | C6 | H62 | H63 | 117.3° | 120.0° |
| C8 | C7 | H71 | H72 | 118.5° | 119.9° |
| C7 | C8 | H81 | H82 | 125.3° | 120.1° |
| C7 | C8 | H81 | H83 | 125.2° | 120.0° |
| C7 | C8 | H82 | H83 | 118.4° | 120.0° |
| H71 | C7 | C8 | H81 | 54.7° | 60.0° |
| H71 | C7 | C8 | H82 | 179.9° | 60.0° |
| H71 | C7 | C8 | H83 | 70.5° | 180.0° |
| H72 | C7 | C8 | H81 | 54.8° | 180.0° |
| H72 | C7 | C8 | H82 | 70.6° | 60.0° |
| H72 | C7 | C8 | H83 | 180.0° | 60.1° |
| H81 | C8 | H82 | H83 | 118.5° | 119.9° |
