N93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C8 | sing | 1.74Å | 1.72Å | |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| CL | C6 | sing | 1.74Å | 1.74Å | |
| C9 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C | N | sing | 1.47Å | 1.45Å | |
| N | C10 | sing | 1.38Å | 1.30Å | |
| C10 | N2 | sing | 1.36Å | 1.31Å | Aromatic |
| C10 | N4 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C15 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | C15 | doub | 1.41Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C14 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.36Å | Aromatic |
| C14 | CL2 | sing | 1.74Å | 1.73Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C8 | C7 | 118.7° | 120.0° |
| CL1 | C8 | C9 | 118.7° | 120.0° |
| C7 | C8 | C9 | 122.6° | 120.0° |
| C8 | C7 | C6 | 117.3° | 120.0° |
| C8 | C7 | H17 | 121.4° | 120.1° |
| C8 | C9 | C4 | 119.6° | 120.0° |
| C8 | C9 | H16 | 120.2° | 120.0° |
| C7 | C6 | CL | 118.4° | 120.0° |
| C7 | C6 | C5 | 122.1° | 119.9° |
| C6 | C7 | H17 | 121.3° | 120.0° |
| CL | C6 | C5 | 119.5° | 120.1° |
| C9 | C4 | C5 | 118.8° | 120.0° |
| C9 | C4 | C3 | 119.0° | 120.0° |
| C4 | C9 | H16 | 120.2° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.1° |
| C6 | C5 | H18 | 120.3° | 119.9° |
| C5 | C4 | C3 | 122.2° | 120.0° |
| C4 | C5 | H18 | 120.2° | 120.0° |
| C4 | C3 | N1 | 114.9° | 109.5° |
| C4 | C3 | H14 | 108.1° | 109.5° |
| C4 | C3 | H15 | 108.1° | 109.5° |
| C3 | N1 | C2 | 114.8° | 111.0° |
| C3 | N1 | H12 | 108.1° | 111.0° |
| N1 | C3 | H14 | 108.1° | 109.5° |
| N1 | C3 | H15 | 108.1° | 109.4° |
| N1 | C2 | C1 | 108.9° | 109.5° |
| N1 | C2 | H10 | 109.6° | 109.4° |
| N1 | C2 | H11 | 109.6° | 109.5° |
| C2 | N1 | H12 | 108.1° | 111.0° |
| C2 | C1 | N | 115.7° | 109.5° |
| C2 | C1 | H8 | 107.9° | 109.5° |
| C2 | C1 | H9 | 107.9° | 109.5° |
| C1 | C2 | H10 | 109.6° | 109.5° |
| C1 | C2 | H11 | 109.6° | 109.5° |
| C1 | N | C | 117.0° | 120.0° |
| C1 | N | C10 | 122.3° | 120.0° |
| N | C1 | H8 | 107.9° | 109.5° |
| N | C1 | H9 | 107.9° | 109.4° |
| C | N | C10 | 120.6° | 120.0° |
| N | C | H5 | 109.5° | 109.5° |
| N | C | H6 | 109.4° | 109.5° |
| N | C | H7 | 109.5° | 109.5° |
| N | C10 | N2 | 127.5° | 125.1° |
| N | C10 | N4 | 120.6° | 125.0° |
| N2 | C10 | N4 | 111.9° | 109.9° |
| C10 | N2 | C11 | 104.1° | 107.1° |
| C10 | N2 | H3 | 127.9° | 126.4° |
| C10 | N4 | C15 | 106.9° | 109.7° |
| N2 | C11 | C15 | 111.2° | 106.3° |
| N2 | C11 | C12 | 130.7° | 134.2° |
| C11 | N2 | H3 | 128.0° | 126.4° |
| N4 | C15 | C11 | 106.0° | 106.9° |
| N4 | C15 | N3 | 127.7° | 133.1° |
| C15 | C11 | C12 | 117.6° | 119.5° |
| C11 | C15 | N3 | 126.0° | 120.0° |
| C11 | C12 | C13 | 118.8° | 118.3° |
| C11 | C12 | H2 | 120.6° | 120.9° |
| C15 | N3 | C14 | 115.0° | 121.5° |
| C12 | C13 | C14 | 117.3° | 119.4° |
| C12 | C13 | H1 | 121.3° | 120.3° |
| C13 | C12 | H2 | 120.6° | 120.9° |
| N3 | C14 | C13 | 125.3° | 121.4° |
| N3 | C14 | CL2 | 115.4° | 119.4° |
| C13 | C14 | CL2 | 119.3° | 119.3° |
| C14 | C13 | H1 | 121.4° | 120.3° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.4° | 109.4° |
| H6 | C | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C8 | C7 | C9 | 179.7° | 179.9° |
| CL1 | C8 | C7 | C6 | 179.9° | 180.0° |
| CL1 | C8 | C9 | C4 | 178.9° | 180.0° |
| CL1 | C8 | C9 | H16 | 1.0° | 0.1° |
| CL1 | C8 | C7 | H17 | 0.1° | 0.1° |
| C8 | C7 | C6 | H17 | 180.0° | 179.9° |
| C8 | C7 | C6 | CL | 176.5° | 180.0° |
| C7 | C8 | C9 | C4 | 0.8° | 0.1° |
| C8 | C7 | C6 | C5 | 1.3° | 0.0° |
| C7 | C8 | C9 | H16 | 179.2° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.1° |
| C8 | C9 | C4 | H16 | 180.0° | 179.8° |
| C8 | C9 | C4 | C5 | 1.1° | 0.1° |
| C8 | C9 | C4 | C3 | 178.7° | 179.8° |
| C9 | C8 | C7 | H17 | 179.6° | 180.0° |
| C7 | C6 | CL | C5 | 177.9° | 180.0° |
| C7 | C6 | C5 | C4 | 1.0° | 0.0° |
| C7 | C6 | C5 | H18 | 178.9° | 179.7° |
| CL | C6 | C5 | C4 | 176.8° | 180.0° |
| CL | C6 | C7 | H17 | 3.5° | 0.1° |
| CL | C6 | C5 | H18 | 3.2° | 0.3° |
| C9 | C4 | C5 | C6 | 0.2° | 0.1° |
| C9 | C4 | C5 | C3 | 179.8° | 179.6° |
| C9 | C4 | C3 | N1 | 93.3° | 89.7° |
| C9 | C4 | C3 | H14 | 27.4° | 150.3° |
| C9 | C4 | C3 | H15 | 145.9° | 30.3° |
| C9 | C4 | C5 | H18 | 179.8° | 179.7° |
| C6 | C5 | C4 | H18 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 179.6° | 179.7° |
| C5 | C6 | C7 | H17 | 178.6° | 179.9° |
| C5 | C4 | C3 | N1 | 86.5° | 90.0° |
| C5 | C4 | C3 | H14 | 152.7° | 30.1° |
| C5 | C4 | C3 | H15 | 34.3° | 150.1° |
| C5 | C4 | C9 | H16 | 178.9° | 180.0° |
| C4 | C3 | N1 | H14 | 120.8° | 120.0° |
| C4 | C3 | N1 | H15 | 120.8° | 120.0° |
| C4 | C3 | N1 | C2 | 82.9° | 180.0° |
| C4 | C3 | N1 | H12 | 156.3° | 56.1° |
| C4 | C3 | H14 | H15 | 117.5° | 120.0° |
| C3 | C4 | C9 | H16 | 1.2° | 0.4° |
| C3 | C4 | C5 | H18 | 0.4° | 0.0° |
| C3 | N1 | C2 | H12 | 120.8° | 123.9° |
| C3 | N1 | C2 | C1 | 179.6° | 180.0° |
| C3 | N1 | C2 | H10 | 59.7° | 60.0° |
| C3 | N1 | C2 | H11 | 60.5° | 60.0° |
| N1 | C3 | H14 | H15 | 117.5° | 120.0° |
| N1 | C2 | C1 | H10 | 119.9° | 119.9° |
| N1 | C2 | C1 | H11 | 119.9° | 120.0° |
| N1 | C2 | C1 | N | 177.5° | 180.0° |
| N1 | C2 | C1 | H8 | 61.6° | 60.0° |
| N1 | C2 | C1 | H9 | 56.6° | 60.0° |
| N1 | C2 | H10 | H11 | 120.3° | 120.0° |
| C2 | N1 | C3 | H14 | 37.9° | 60.0° |
| C2 | N1 | C3 | H15 | 156.3° | 60.0° |
| C2 | C1 | N | H8 | 120.9° | 120.0° |
| C2 | C1 | N | H9 | 120.9° | 120.0° |
| C2 | C1 | N | C | 84.0° | 90.0° |
| C2 | C1 | N | C10 | 99.4° | 90.0° |
| C2 | C1 | H8 | H9 | 117.2° | 120.1° |
| C1 | C2 | H10 | H11 | 120.3° | 120.0° |
| C1 | C2 | N1 | H12 | 59.6° | 56.0° |
| C1 | N | C | C10 | 176.6° | 180.0° |
| C1 | N | C10 | N2 | 0.9° | 180.0° |
| C1 | N | C10 | N4 | 178.0° | 0.0° |
| C1 | N | C | H5 | 180.0° | 90.0° |
| C1 | N | C | H6 | 60.0° | 30.0° |
| C1 | N | C | H7 | 60.0° | 150.0° |
| N | C1 | H8 | H9 | 117.1° | 119.9° |
| N | C1 | C2 | H10 | 57.6° | 60.0° |
| N | C1 | C2 | H11 | 62.6° | 60.0° |
| C | N | C10 | N2 | 177.3° | 0.0° |
| C | N | C10 | N4 | 1.6° | 180.0° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| N | C | H5 | H7 | 120.0° | 120.0° |
| N | C | H6 | H7 | 120.0° | 120.0° |
| C | N | C1 | H8 | 36.9° | 30.0° |
| C | N | C1 | H9 | 155.0° | 150.0° |
| N | C10 | N2 | N4 | 179.0° | 180.0° |
| N | C10 | N2 | C11 | 179.0° | 179.9° |
| N | C10 | N4 | C15 | 179.0° | 179.9° |
| N | C10 | N2 | H3 | 1.0° | 0.0° |
| C10 | N | C | H5 | 3.4° | 90.0° |
| C10 | N | C | H6 | 123.4° | 150.1° |
| C10 | N | C | H7 | 116.6° | 30.0° |
| C10 | N | C1 | H8 | 139.6° | 149.9° |
| C10 | N | C1 | H9 | 21.5° | 30.0° |
| C10 | N2 | C11 | H3 | 180.0° | 180.0° |
| N2 | C10 | N4 | C15 | 0.0° | 0.0° |
| C10 | N2 | C11 | C15 | 0.1° | 0.0° |
| C10 | N2 | C11 | C12 | 172.1° | 179.6° |
| N4 | C10 | N2 | C11 | 0.0° | 0.0° |
| C10 | N4 | C15 | C11 | 0.1° | 0.0° |
| C10 | N4 | C15 | N3 | 173.2° | 179.9° |
| N4 | C10 | N2 | H3 | 180.0° | 180.0° |
| N2 | C11 | C15 | N4 | 0.2° | 0.0° |
| N2 | C11 | C15 | C12 | 173.4° | 179.7° |
| N2 | C11 | C15 | N3 | 173.4° | 179.9° |
| N2 | C11 | C12 | C13 | 172.3° | 179.9° |
| N2 | C11 | C12 | H2 | 7.7° | 0.1° |
| N4 | C15 | C11 | N3 | 173.2° | 180.0° |
| N4 | C15 | C11 | C12 | 173.2° | 179.7° |
| N4 | C15 | N3 | C14 | 172.2° | 180.0° |
| C15 | C11 | C12 | C13 | 0.5° | 0.3° |
| C11 | C15 | N3 | C14 | 0.4° | 0.1° |
| C15 | C11 | C12 | H2 | 179.5° | 179.7° |
| C15 | C11 | N2 | H3 | 179.9° | 180.0° |
| C12 | C11 | C15 | N3 | 0.0° | 0.3° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H1 | 179.6° | 180.0° |
| C12 | C11 | N2 | H3 | 7.9° | 0.4° |
| C15 | N3 | C14 | C13 | 0.5° | 0.3° |
| C15 | N3 | C14 | CL2 | 177.9° | 180.0° |
| C12 | C13 | C14 | N3 | 0.2° | 0.3° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | CL2 | 178.3° | 180.0° |
| N3 | C14 | C13 | CL2 | 178.4° | 179.7° |
| N3 | C14 | C13 | H1 | 179.8° | 179.7° |
| C14 | C13 | C12 | H2 | 179.6° | 180.0° |
| CL2 | C14 | C13 | H1 | 1.7° | 0.0° |
| H1 | C13 | C12 | H2 | 0.4° | 0.0° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
| H8 | C1 | C2 | H10 | 178.5° | 180.0° |
| H8 | C1 | C2 | H11 | 58.3° | 60.0° |
| H9 | C1 | C2 | H10 | 63.3° | 59.9° |
| H9 | C1 | C2 | H11 | 176.5° | 180.0° |
| H10 | C2 | N1 | H12 | 179.5° | 64.0° |
| H11 | C2 | N1 | H12 | 60.3° | 176.1° |
| H12 | N1 | C3 | H14 | 82.9° | 64.0° |
| H12 | N1 | C3 | H15 | 35.6° | 176.0° |
