66N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C34 | sing | 1.35Å | 1.33Å | |
| O3 | C34 | doub | 1.21Å | 1.24Å | |
| C34 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | N11 | sing | 1.47Å | 1.45Å | |
| N11 | H1 | sing | 1.01Å | 1.00Å | |
| N11 | H2 | sing | 1.01Å | 1.00Å | |
| C33 | H4 | sing | 1.09Å | 1.10Å | |
| C35 | H5 | sing | 1.09Å | 1.10Å | |
| C35 | H6 | sing | 1.09Å | 1.10Å | |
| C35 | H7 | sing | 1.09Å | 1.10Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C34 | O3 | 123.0° | 119.9° |
| N12 | C34 | C33 | 116.6° | 120.0° |
| C34 | N12 | H8 | 120.0° | 120.0° |
| C34 | N12 | H9 | 120.0° | 120.0° |
| O3 | C34 | C33 | 120.4° | 120.0° |
| C34 | C33 | C35 | 109.9° | 109.5° |
| C34 | C33 | N11 | 109.9° | 109.5° |
| C34 | C33 | H4 | 108.6° | 109.5° |
| C35 | C33 | N11 | 110.2° | 109.5° |
| C35 | C33 | H4 | 108.6° | 109.4° |
| C33 | C35 | H5 | 109.5° | 109.5° |
| C33 | C35 | H6 | 109.4° | 109.4° |
| C33 | C35 | H7 | 109.5° | 109.5° |
| C33 | N11 | H1 | 109.5° | 111.0° |
| C33 | N11 | H2 | 109.5° | 111.0° |
| N11 | C33 | H4 | 109.6° | 109.4° |
| H1 | N11 | H2 | 109.5° | 111.0° |
| H5 | C35 | H6 | 109.5° | 109.5° |
| H5 | C35 | H7 | 109.5° | 109.4° |
| H6 | C35 | H7 | 109.5° | 109.4° |
| H8 | N12 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C34 | O3 | C33 | 178.2° | 180.0° |
| N12 | C34 | C33 | C35 | 49.2° | 60.0° |
| N12 | C34 | C33 | N11 | 72.2° | 180.0° |
| N12 | C34 | C33 | H4 | 167.8° | 60.0° |
| C34 | N12 | H8 | H9 | 180.0° | 179.9° |
| O3 | C34 | C33 | C35 | 132.5° | 120.0° |
| O3 | C34 | C33 | N11 | 106.1° | 0.0° |
| O3 | C34 | C33 | H4 | 13.9° | 120.0° |
| O3 | C34 | N12 | H8 | 0.0° | 0.0° |
| O3 | C34 | N12 | H9 | 180.0° | 179.9° |
| C34 | C33 | C35 | N11 | 121.2° | 120.0° |
| C34 | C33 | C35 | H4 | 118.7° | 120.0° |
| C34 | C33 | N11 | H4 | 119.3° | 120.0° |
| C34 | C33 | N11 | H1 | 180.0° | 180.0° |
| C34 | C33 | N11 | H2 | 60.0° | 56.0° |
| C34 | C33 | C35 | H5 | 180.0° | 179.9° |
| C34 | C33 | C35 | H6 | 60.0° | 60.0° |
| C34 | C33 | C35 | H7 | 60.0° | 60.0° |
| C33 | C34 | N12 | H8 | 178.2° | 180.0° |
| C33 | C34 | N12 | H9 | 1.8° | 0.0° |
| C35 | C33 | N11 | H4 | 119.4° | 119.9° |
| C35 | C33 | N11 | H1 | 58.8° | 60.0° |
| C35 | C33 | N11 | H2 | 178.8° | 176.1° |
| C33 | C35 | H5 | H6 | 120.0° | 120.0° |
| C33 | C35 | H5 | H7 | 120.0° | 120.0° |
| C33 | C35 | H6 | H7 | 119.9° | 120.0° |
| C33 | N11 | H1 | H2 | 120.0° | 124.0° |
| N11 | C33 | C35 | H5 | 58.8° | 60.0° |
| N11 | C33 | C35 | H6 | 61.3° | 60.1° |
| N11 | C33 | C35 | H7 | 178.8° | 180.0° |
| H1 | N11 | C33 | H4 | 60.7° | 60.0° |
| H2 | N11 | C33 | H4 | 59.4° | 64.0° |
| H4 | C33 | C35 | H5 | 61.3° | 59.9° |
| H4 | C33 | C35 | H6 | 178.7° | 180.0° |
| H4 | C33 | C35 | H7 | 58.7° | 60.0° |
| H5 | C35 | H6 | H7 | 120.0° | 120.0° |
