82I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N11 | sing | 1.47Å | 1.46Å | |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| N11 | C16 | sing | 1.35Å | 1.37Å | |
| N11 | N10 | sing | 1.40Å | 1.37Å | |
| C16 | C18 | sing | 1.40Å | 1.44Å | |
| N10 | C08 | doub | 1.30Å | 1.30Å | |
| C18 | CL1 | sing | 1.74Å | 1.73Å | |
| C18 | C07 | doub | 1.38Å | 1.39Å | |
| C08 | C07 | sing | 1.41Å | 1.43Å | |
| C07 | N05 | sing | 1.39Å | 1.34Å | |
| N05 | C01 | sing | 1.46Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| N05 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N11 | C16 | 119.3° | 119.7° |
| C12 | N11 | N10 | 114.8° | 119.7° |
| N11 | C12 | H5 | 109.5° | 109.5° |
| N11 | C12 | H6 | 109.5° | 109.5° |
| N11 | C12 | H7 | 109.5° | 109.5° |
| O17 | C16 | N11 | 121.2° | 120.2° |
| O17 | C16 | C18 | 125.0° | 120.3° |
| C16 | N11 | N10 | 125.9° | 120.6° |
| N11 | C16 | C18 | 113.8° | 119.6° |
| N11 | N10 | C08 | 117.8° | 121.0° |
| C16 | C18 | CL1 | 116.9° | 120.4° |
| C16 | C18 | C07 | 123.0° | 119.0° |
| N10 | C08 | C07 | 124.8° | 120.4° |
| N10 | C08 | H4 | 117.6° | 119.7° |
| CL1 | C18 | C07 | 120.1° | 120.5° |
| C18 | C07 | C08 | 114.6° | 119.4° |
| C18 | C07 | N05 | 123.8° | 120.3° |
| C08 | C07 | N05 | 121.5° | 120.3° |
| C07 | C08 | H4 | 117.6° | 119.8° |
| C07 | N05 | C01 | 124.0° | 120.0° |
| C07 | N05 | H9 | 105.7° | 120.0° |
| N05 | C01 | H1 | 109.5° | 109.5° |
| N05 | C01 | H2 | 109.5° | 109.5° |
| N05 | C01 | H3 | 109.4° | 109.4° |
| C01 | N05 | H9 | 105.7° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.4° | 109.5° |
| H5 | C12 | H7 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N11 | C16 | O17 | 0.7° | 0.2° |
| C12 | N11 | C16 | N10 | 178.7° | 179.8° |
| C12 | N11 | C16 | C18 | 179.1° | 179.9° |
| C12 | N11 | N10 | C08 | 180.0° | 179.8° |
| N11 | C12 | H5 | H6 | 120.0° | 120.0° |
| N11 | C12 | H5 | H7 | 120.0° | 120.0° |
| N11 | C12 | H6 | H7 | 120.0° | 120.0° |
| O17 | C16 | N11 | C18 | 179.8° | 179.8° |
| O17 | C16 | N11 | N10 | 179.4° | 180.0° |
| O17 | C16 | C18 | CL1 | 0.1° | 0.2° |
| O17 | C16 | C18 | C07 | 178.8° | 179.8° |
| C16 | N11 | N10 | C08 | 1.2° | 0.0° |
| N11 | C16 | C18 | CL1 | 179.9° | 180.0° |
| N11 | C16 | C18 | C07 | 1.4° | 0.5° |
| C16 | N11 | C12 | H5 | 178.9° | 90.0° |
| C16 | N11 | C12 | H6 | 58.9° | 150.0° |
| C16 | N11 | C12 | H7 | 61.2° | 30.0° |
| N10 | N11 | C16 | C18 | 0.4° | 0.2° |
| N11 | N10 | C08 | C07 | 0.3° | 0.0° |
| N11 | N10 | C08 | H4 | 179.7° | 180.0° |
| N10 | N11 | C12 | H5 | 0.0° | 89.8° |
| N10 | N11 | C12 | H6 | 120.0° | 30.2° |
| N10 | N11 | C12 | H7 | 120.0° | 150.2° |
| C16 | C18 | CL1 | C07 | 178.8° | 179.5° |
| C16 | C18 | C07 | C08 | 2.1° | 0.5° |
| C16 | C18 | C07 | N05 | 179.4° | 179.8° |
| N10 | C08 | C07 | C18 | 1.3° | 0.2° |
| N10 | C08 | C07 | H4 | 180.0° | 180.0° |
| N10 | C08 | C07 | N05 | 178.6° | 180.0° |
| CL1 | C18 | C07 | C08 | 179.2° | 180.0° |
| CL1 | C18 | C07 | N05 | 1.9° | 0.2° |
| C18 | C07 | C08 | N05 | 177.3° | 179.8° |
| C18 | C07 | N05 | C01 | 175.6° | 179.8° |
| C18 | C07 | C08 | H4 | 178.7° | 179.7° |
| C18 | C07 | N05 | H9 | 62.4° | 0.3° |
| C08 | C07 | N05 | C01 | 1.5° | 0.0° |
| C08 | C07 | N05 | H9 | 120.5° | 180.0° |
| C07 | N05 | C01 | H9 | 122.0° | 180.0° |
| C07 | N05 | C01 | H1 | 180.0° | 60.0° |
| C07 | N05 | C01 | H2 | 60.0° | 60.0° |
| C07 | N05 | C01 | H3 | 60.0° | 180.0° |
| N05 | C07 | C08 | H4 | 1.4° | 0.0° |
| N05 | C01 | H1 | H2 | 120.0° | 120.0° |
| N05 | C01 | H1 | H3 | 120.0° | 120.0° |
| N05 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N05 | H9 | 58.0° | 120.0° |
| H2 | C01 | N05 | H9 | 178.0° | 120.0° |
| H3 | C01 | N05 | H9 | 62.0° | 0.0° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
