92C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| N03 | C04 | sing | 1.39Å | 1.43Å | |
| N03 | C01 | sing | 1.34Å | 1.42Å | |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| O02 | C01 | doub | 1.22Å | 1.23Å | |
| C01 | C11 | sing | 1.47Å | 1.47Å | |
| C07 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | CL8 | sing | 1.74Å | 1.76Å | |
| C10 | C11 | sing | 1.48Å | 1.49Å | |
| C10 | C09 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.34Å | |
| C12 | C13 | sing | 1.47Å | 1.48Å | |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N16 | sing | 1.34Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| N16 | N15 | sing | 1.40Å | 1.36Å | Aromatic |
| C14 | N15 | doub | 1.30Å | 1.37Å | Aromatic |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 120.2° | 120.2° |
| C05 | C06 | C07 | 117.5° | 120.6° |
| C06 | C05 | H2 | 119.9° | 120.0° |
| C05 | C06 | H3 | 121.2° | 119.7° |
| C05 | C04 | N03 | 130.5° | 131.7° |
| C05 | C04 | C10 | 121.5° | 119.1° |
| C04 | C05 | H2 | 119.9° | 119.9° |
| C04 | N03 | C01 | 109.1° | 111.4° |
| N03 | C04 | C10 | 108.0° | 109.2° |
| C04 | N03 | H12 | 125.5° | 124.2° |
| N03 | C01 | O02 | 120.5° | 126.0° |
| N03 | C01 | C11 | 109.7° | 108.0° |
| C01 | N03 | H12 | 125.5° | 124.4° |
| C06 | C07 | C09 | 122.6° | 120.1° |
| C06 | C07 | CL8 | 118.1° | 119.9° |
| C07 | C06 | H3 | 121.2° | 119.7° |
| C04 | C10 | C11 | 109.3° | 106.4° |
| C04 | C10 | C09 | 117.0° | 120.4° |
| O02 | C01 | C11 | 129.8° | 126.0° |
| C01 | C11 | C10 | 104.0° | 105.0° |
| C01 | C11 | C12 | 124.4° | 127.5° |
| C09 | C07 | CL8 | 119.3° | 120.0° |
| C07 | C09 | C10 | 121.1° | 119.7° |
| C07 | C09 | H4 | 119.5° | 120.2° |
| C11 | C10 | C09 | 133.7° | 133.2° |
| C10 | C11 | C12 | 131.5° | 127.5° |
| C10 | C09 | H4 | 119.4° | 120.1° |
| C11 | C12 | C13 | 133.8° | 120.0° |
| C11 | C12 | H5 | 113.1° | 120.0° |
| C12 | C13 | C18 | 129.8° | 126.5° |
| C12 | C13 | C14 | 126.2° | 126.5° |
| C13 | C12 | H5 | 113.1° | 120.0° |
| C13 | C18 | N16 | 108.3° | 107.3° |
| C18 | C13 | C14 | 104.0° | 107.0° |
| C13 | C18 | H11 | 125.8° | 126.3° |
| C18 | N16 | C17 | 126.7° | 125.7° |
| C18 | N16 | N15 | 110.5° | 108.6° |
| N16 | C18 | H11 | 125.8° | 126.3° |
| C13 | C14 | N15 | 111.4° | 108.0° |
| C13 | C14 | H7 | 124.3° | 126.0° |
| C17 | N16 | N15 | 122.8° | 125.7° |
| N16 | C17 | H8 | 109.5° | 109.4° |
| N16 | C17 | H9 | 109.4° | 109.4° |
| N16 | C17 | H10 | 109.5° | 109.5° |
| N16 | N15 | C14 | 105.8° | 109.0° |
| N15 | C14 | H7 | 124.3° | 126.0° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H10 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H2 | 180.0° | 180.0° |
| C06 | C05 | C04 | N03 | 179.8° | 179.5° |
| C05 | C06 | C07 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C10 | 0.4° | 0.0° |
| C05 | C06 | C07 | C09 | 0.2° | 0.2° |
| C05 | C06 | C07 | CL8 | 179.9° | 180.0° |
| C05 | C04 | N03 | C10 | 179.5° | 179.6° |
| C05 | C04 | N03 | C01 | 179.8° | 180.0° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C05 | C04 | C10 | C11 | 178.7° | 180.0° |
| C05 | C04 | C10 | C09 | 0.0° | 0.2° |
| C04 | C05 | C06 | H3 | 179.8° | 180.0° |
| C05 | C04 | N03 | H12 | 0.2° | 0.5° |
| C04 | N03 | C01 | H12 | 180.0° | 179.5° |
| C04 | N03 | C01 | O02 | 179.9° | 179.8° |
| C04 | N03 | C01 | C11 | 1.4° | 0.3° |
| N03 | C04 | C10 | C11 | 0.8° | 0.4° |
| N03 | C04 | C10 | C09 | 179.6° | 179.8° |
| N03 | C04 | C05 | H2 | 0.2° | 0.5° |
| C01 | N03 | C04 | C10 | 0.4° | 0.4° |
| N03 | C01 | O02 | C11 | 178.4° | 180.0° |
| N03 | C01 | C11 | C10 | 1.8° | 0.0° |
| N03 | C01 | C11 | C12 | 178.4° | 180.0° |
| C06 | C07 | C09 | CL8 | 179.6° | 179.7° |
| C06 | C07 | C09 | C10 | 0.6° | 0.4° |
| C07 | C06 | C05 | H2 | 179.7° | 180.0° |
| C06 | C07 | C09 | H4 | 179.4° | 179.7° |
| C04 | C10 | C11 | C01 | 1.6° | 0.2° |
| C04 | C10 | C09 | C07 | 0.4° | 0.4° |
| C04 | C10 | C11 | C09 | 178.4° | 179.8° |
| C04 | C10 | C11 | C12 | 177.8° | 179.8° |
| C10 | C04 | C05 | H2 | 179.6° | 180.0° |
| C04 | C10 | C09 | H4 | 179.6° | 179.8° |
| C10 | C04 | N03 | H12 | 179.7° | 179.9° |
| O02 | C01 | C11 | C10 | 179.7° | 180.0° |
| O02 | C01 | C11 | C12 | 3.1° | 0.0° |
| O02 | C01 | N03 | H12 | 0.1° | 0.2° |
| C01 | C11 | C10 | C12 | 176.2° | 180.0° |
| C01 | C11 | C10 | C09 | 179.9° | 180.0° |
| C01 | C11 | C12 | C13 | 20.7° | 8.1° |
| C01 | C11 | C12 | H5 | 159.3° | 171.9° |
| C11 | C01 | N03 | H12 | 178.6° | 179.8° |
| C07 | C09 | C10 | C11 | 178.8° | 179.9° |
| C07 | C09 | C10 | H4 | 180.0° | 179.9° |
| C09 | C07 | C06 | H3 | 179.8° | 179.8° |
| CL8 | C07 | C09 | C10 | 179.8° | 179.8° |
| CL8 | C07 | C06 | H3 | 0.1° | 0.0° |
| CL8 | C07 | C09 | H4 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 163.8° | 171.9° |
| C11 | C10 | C09 | H4 | 1.2° | 0.0° |
| C10 | C11 | C12 | H5 | 16.2° | 8.1° |
| C09 | C10 | C11 | C12 | 3.7° | 0.0° |
| C11 | C12 | C13 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C18 | 21.5° | 33.6° |
| C11 | C12 | C13 | C14 | 162.0° | 146.7° |
| C12 | C13 | C18 | C14 | 177.1° | 179.8° |
| C12 | C13 | C18 | N16 | 178.0° | 180.0° |
| C12 | C13 | C14 | N15 | 178.4° | 180.0° |
| C12 | C13 | C14 | H7 | 1.6° | 0.1° |
| C12 | C13 | C18 | H11 | 2.0° | 0.0° |
| C13 | C18 | N16 | H11 | 180.0° | 180.0° |
| C13 | C18 | N16 | C17 | 179.6° | 180.0° |
| C13 | C18 | N16 | N15 | 0.4° | 0.2° |
| C18 | C13 | C14 | N15 | 1.2° | 0.2° |
| C18 | C13 | C12 | H5 | 158.5° | 146.5° |
| C18 | C13 | C14 | H7 | 178.8° | 179.8° |
| N16 | C18 | C13 | C14 | 1.0° | 0.2° |
| C18 | N16 | C17 | N15 | 179.9° | 179.8° |
| C18 | N16 | N15 | C14 | 0.3° | 0.0° |
| C18 | N16 | C17 | H8 | 179.9° | 90.1° |
| C18 | N16 | C17 | H9 | 59.9° | 150.0° |
| C18 | N16 | C17 | H10 | 60.0° | 30.0° |
| C13 | C14 | N15 | N16 | 1.0° | 0.1° |
| C13 | C14 | N15 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | H5 | 18.0° | 33.3° |
| C14 | C13 | C18 | H11 | 179.1° | 179.8° |
| C17 | N16 | N15 | C14 | 179.6° | 179.8° |
| N16 | C17 | H8 | H9 | 120.0° | 119.9° |
| N16 | C17 | H8 | H10 | 120.0° | 120.0° |
| N16 | C17 | H9 | H10 | 120.0° | 120.0° |
| C17 | N16 | C18 | H11 | 0.4° | 0.1° |
| N16 | N15 | C14 | H7 | 179.0° | 179.9° |
| N15 | N16 | C17 | H8 | 0.0° | 90.2° |
| N15 | N16 | C17 | H9 | 120.0° | 29.8° |
| N15 | N16 | C17 | H10 | 120.0° | 149.8° |
| N15 | N16 | C18 | H11 | 179.6° | 179.9° |
| H2 | C05 | C06 | H3 | 0.3° | 0.0° |
| H8 | C17 | H9 | H10 | 120.0° | 120.1° |
