NT6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C | sing | 1.38Å | 1.38Å | Aromatic |
| CL | C | sing | 1.74Å | 1.73Å | |
| N1 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | N | sing | 1.39Å | 1.40Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C5 | sing | 1.53Å | 1.54Å | |
| N | C4 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.73Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | C10 | sing | 1.53Å | 1.54Å | |
| C4 | O | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C15 | C | 122.6° | 120.8° |
| C15 | N1 | C3 | 118.0° | 121.7° |
| N1 | C15 | H12 | 118.7° | 119.6° |
| C15 | C | CL | 119.7° | 120.3° |
| C15 | C | C1 | 118.8° | 119.2° |
| C | C15 | H12 | 118.7° | 119.6° |
| CL | C | C1 | 121.4° | 120.4° |
| N1 | C3 | N | 111.5° | 119.7° |
| N1 | C3 | C2 | 123.3° | 120.6° |
| C | C1 | C2 | 119.8° | 118.5° |
| C | C1 | CL1 | 121.0° | 120.7° |
| N | C3 | C2 | 125.2° | 119.7° |
| C3 | N | C4 | 128.8° | 120.0° |
| C3 | N | H2 | 115.6° | 120.0° |
| C3 | C2 | C1 | 117.4° | 119.1° |
| C3 | C2 | H1 | 121.3° | 120.4° |
| C12 | C13 | C7 | 109.5° | 109.4° |
| C13 | C12 | C14 | 109.4° | 109.5° |
| C13 | C12 | C11 | 109.7° | 109.5° |
| C13 | C12 | H7 | 109.5° | 109.5° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.4° |
| C13 | C7 | C6 | 109.5° | 109.5° |
| C13 | C7 | C8 | 109.7° | 109.5° |
| C7 | C13 | H8 | 109.5° | 109.5° |
| C7 | C13 | H9 | 109.5° | 109.4° |
| C13 | C7 | H15 | 109.5° | 109.4° |
| C14 | C12 | C11 | 109.4° | 109.5° |
| C12 | C14 | C5 | 110.0° | 109.5° |
| C14 | C12 | H7 | 109.4° | 109.5° |
| C12 | C14 | H10 | 109.4° | 109.4° |
| C12 | C14 | H11 | 109.3° | 109.5° |
| C12 | C11 | C9 | 109.6° | 109.5° |
| C12 | C11 | H5 | 109.4° | 109.5° |
| C12 | C11 | H6 | 109.4° | 109.5° |
| C11 | C12 | H7 | 109.5° | 109.4° |
| C14 | C5 | C6 | 108.8° | 109.5° |
| C14 | C5 | C4 | 108.7° | 109.5° |
| C14 | C5 | C10 | 109.0° | 109.5° |
| C5 | C14 | H10 | 109.3° | 109.5° |
| C5 | C14 | H11 | 109.3° | 109.5° |
| N | C4 | C5 | 114.5° | 120.0° |
| N | C4 | O | 124.1° | 120.0° |
| C4 | N | H2 | 115.6° | 120.0° |
| C2 | C1 | CL1 | 119.2° | 120.7° |
| C1 | C2 | H1 | 121.3° | 120.5° |
| C11 | C9 | C8 | 109.5° | 109.4° |
| C11 | C9 | C10 | 109.5° | 109.5° |
| C9 | C11 | H5 | 109.4° | 109.4° |
| C9 | C11 | H6 | 109.5° | 109.4° |
| C11 | C9 | H18 | 109.4° | 109.5° |
| C6 | C7 | C8 | 109.4° | 109.5° |
| C7 | C6 | C5 | 109.9° | 109.5° |
| C7 | C6 | H13 | 109.4° | 109.5° |
| C7 | C6 | H14 | 109.4° | 109.5° |
| C6 | C7 | H15 | 109.3° | 109.5° |
| C7 | C8 | C9 | 109.6° | 109.5° |
| C8 | C7 | H15 | 109.4° | 109.5° |
| C7 | C8 | H16 | 109.4° | 109.4° |
| C7 | C8 | H17 | 109.4° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.5° |
| C6 | C5 | C10 | 108.8° | 109.5° |
| C5 | C6 | H13 | 109.3° | 109.5° |
| C5 | C6 | H14 | 109.4° | 109.4° |
| C4 | C5 | C10 | 111.4° | 109.4° |
| C5 | C4 | O | 121.3° | 120.0° |
| C5 | C10 | C9 | 109.8° | 109.5° |
| C5 | C10 | H3 | 109.4° | 109.5° |
| C5 | C10 | H4 | 109.4° | 109.5° |
| C8 | C9 | C10 | 109.4° | 109.5° |
| C9 | C8 | H16 | 109.4° | 109.5° |
| C9 | C8 | H17 | 109.5° | 109.4° |
| C8 | C9 | H18 | 109.5° | 109.5° |
| C9 | C10 | H3 | 109.4° | 109.4° |
| C9 | C10 | H4 | 109.4° | 109.5° |
| C10 | C9 | H18 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.4° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.4° | 109.4° |
| H16 | C8 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C15 | C | H12 | 180.0° | 179.7° |
| N1 | C15 | C | CL | 175.4° | 180.0° |
| N1 | C15 | C | C1 | 1.8° | 0.0° |
| C15 | N1 | C3 | N | 177.8° | 180.0° |
| C15 | N1 | C3 | C2 | 1.3° | 0.5° |
| C15 | C | CL | C1 | 177.1° | 180.0° |
| C | C15 | N1 | C3 | 0.2° | 0.2° |
| C15 | C | C1 | C2 | 1.8° | 0.0° |
| C15 | C | C1 | CL1 | 177.5° | 179.8° |
| CL | C | C1 | C2 | 175.2° | 180.0° |
| CL | C | C1 | CL1 | 5.4° | 0.2° |
| CL | C | C15 | H12 | 4.7° | 0.3° |
| N1 | C3 | N | C2 | 179.1° | 179.6° |
| N1 | C3 | N | C4 | 179.2° | 5.6° |
| N1 | C3 | C2 | C1 | 1.2° | 0.5° |
| N1 | C3 | C2 | H1 | 178.8° | 179.5° |
| N1 | C3 | N | H2 | 0.8° | 174.4° |
| C3 | N1 | C15 | H12 | 179.8° | 179.9° |
| C | C1 | C2 | C3 | 0.4° | 0.2° |
| C | C1 | C2 | CL1 | 179.4° | 179.7° |
| C | C1 | C2 | H1 | 179.6° | 179.8° |
| C1 | C | C15 | H12 | 178.2° | 179.7° |
| C3 | N | C4 | H2 | 180.0° | 180.0° |
| N | C3 | C2 | C1 | 177.8° | 180.0° |
| C3 | N | C4 | C5 | 178.9° | 174.9° |
| C3 | N | C4 | O | 2.1° | 5.1° |
| N | C3 | C2 | H1 | 2.2° | 0.0° |
| C2 | C3 | N | C4 | 1.7° | 174.9° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | CL1 | 178.9° | 180.0° |
| C2 | C3 | N | H2 | 178.3° | 5.2° |
| C12 | C13 | C7 | H8 | 120.0° | 120.0° |
| C12 | C13 | C7 | H9 | 120.0° | 119.9° |
| C13 | C12 | C14 | C11 | 120.1° | 120.0° |
| C13 | C12 | C14 | H7 | 120.0° | 120.0° |
| C13 | C12 | C11 | H7 | 120.2° | 120.0° |
| C13 | C12 | C14 | C5 | 60.2° | 60.0° |
| C13 | C12 | C11 | C9 | 59.7° | 60.0° |
| C12 | C13 | C7 | C6 | 60.4° | 60.0° |
| C12 | C13 | C7 | C8 | 59.7° | 60.0° |
| C13 | C12 | C11 | H5 | 60.4° | 60.0° |
| C13 | C12 | C11 | H6 | 179.7° | 180.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C12 | C14 | H10 | 179.8° | 180.0° |
| C13 | C12 | C14 | H11 | 59.9° | 60.0° |
| C12 | C13 | C7 | H15 | 179.8° | 180.0° |
| C7 | C13 | C12 | C14 | 60.3° | 60.0° |
| C7 | C13 | C12 | C11 | 59.6° | 60.0° |
| C13 | C7 | C6 | C8 | 120.2° | 120.0° |
| C13 | C7 | C6 | H15 | 119.9° | 119.9° |
| C13 | C7 | C8 | H15 | 120.1° | 120.0° |
| C13 | C7 | C6 | C5 | 60.1° | 60.0° |
| C13 | C7 | C8 | C9 | 59.8° | 60.0° |
| C7 | C13 | C12 | H7 | 179.8° | 180.0° |
| C7 | C13 | H8 | H9 | 120.0° | 120.0° |
| C13 | C7 | C6 | H13 | 60.0° | 180.0° |
| C13 | C7 | C6 | H14 | 179.8° | 60.0° |
| C13 | C7 | C8 | H16 | 179.8° | 180.0° |
| C13 | C7 | C8 | H17 | 60.2° | 60.0° |
| C14 | C12 | C11 | H7 | 119.8° | 120.0° |
| C12 | C14 | C5 | H10 | 120.1° | 120.0° |
| C12 | C14 | C5 | H11 | 120.1° | 120.0° |
| C14 | C12 | C11 | C9 | 60.3° | 60.0° |
| C12 | C14 | C5 | C6 | 59.3° | 60.0° |
| C12 | C14 | C5 | C4 | 179.3° | 180.0° |
| C12 | C14 | C5 | C10 | 59.2° | 60.0° |
| C14 | C12 | C11 | H5 | 179.7° | 180.0° |
| C14 | C12 | C11 | H6 | 59.7° | 60.0° |
| C14 | C12 | C13 | H8 | 59.7° | 60.0° |
| C14 | C12 | C13 | H9 | 179.7° | 180.0° |
| C12 | C14 | H10 | H11 | 119.8° | 120.0° |
| C11 | C12 | C14 | C5 | 60.0° | 60.0° |
| C12 | C11 | C9 | H5 | 120.0° | 120.0° |
| C12 | C11 | C9 | H6 | 120.0° | 120.0° |
| C12 | C11 | C9 | C8 | 59.6° | 60.0° |
| C12 | C11 | C9 | C10 | 60.4° | 60.0° |
| C12 | C11 | H5 | H6 | 119.9° | 120.1° |
| C11 | C12 | C13 | H8 | 179.7° | 179.9° |
| C11 | C12 | C13 | H9 | 60.4° | 59.9° |
| C11 | C12 | C14 | H10 | 60.1° | 60.0° |
| C11 | C12 | C14 | H11 | 180.0° | 180.0° |
| C12 | C11 | C9 | H18 | 179.7° | 180.0° |
| C14 | C5 | C4 | N | 22.5° | 180.0° |
| C14 | C5 | C6 | C7 | 59.2° | 60.0° |
| C14 | C5 | C6 | C4 | 119.1° | 120.0° |
| C14 | C5 | C6 | C10 | 118.6° | 120.1° |
| C14 | C5 | C4 | C10 | 120.1° | 120.0° |
| C14 | C5 | C4 | O | 158.4° | 0.0° |
| C14 | C5 | C10 | C9 | 59.0° | 60.0° |
| C14 | C5 | C10 | H3 | 61.0° | 60.0° |
| C14 | C5 | C10 | H4 | 179.1° | 180.0° |
| C5 | C14 | C12 | H7 | 179.9° | 180.0° |
| C5 | C14 | H10 | H11 | 119.7° | 120.1° |
| C14 | C5 | C6 | H13 | 60.9° | 180.0° |
| C14 | C5 | C6 | H14 | 179.2° | 60.0° |
| N | C4 | C5 | C6 | 96.6° | 60.0° |
| N | C4 | C5 | O | 179.1° | 180.0° |
| N | C4 | C5 | C10 | 142.6° | 60.0° |
| CL1 | C1 | C2 | H1 | 1.1° | 0.0° |
| C11 | C9 | C8 | C7 | 59.7° | 60.0° |
| C11 | C9 | C10 | C5 | 59.9° | 60.0° |
| C11 | C9 | C8 | C10 | 120.1° | 120.0° |
| C11 | C9 | C8 | H18 | 120.0° | 120.1° |
| C11 | C9 | C10 | H18 | 119.9° | 120.0° |
| C11 | C9 | C10 | H3 | 60.2° | 60.0° |
| C11 | C9 | C10 | H4 | 180.0° | 180.0° |
| C9 | C11 | H5 | H6 | 120.0° | 119.9° |
| C9 | C11 | C12 | H7 | 179.8° | 180.0° |
| C11 | C9 | C8 | H16 | 179.7° | 180.0° |
| C11 | C9 | C8 | H17 | 60.3° | 60.1° |
| C6 | C7 | C8 | H15 | 119.8° | 120.1° |
| C7 | C6 | C5 | H13 | 120.1° | 120.0° |
| C7 | C6 | C5 | H14 | 120.1° | 120.0° |
| C7 | C6 | C5 | C4 | 178.2° | 180.0° |
| C7 | C6 | C5 | C10 | 59.5° | 60.0° |
| C6 | C7 | C8 | C9 | 60.3° | 60.0° |
| C6 | C7 | C13 | H8 | 59.7° | 60.0° |
| C6 | C7 | C13 | H9 | 179.6° | 180.0° |
| C7 | C6 | H13 | H14 | 119.8° | 120.0° |
| C6 | C7 | C8 | H16 | 59.7° | 60.0° |
| C6 | C7 | C8 | H17 | 179.7° | 180.0° |
| C8 | C7 | C6 | C5 | 60.1° | 60.0° |
| C7 | C8 | C9 | H16 | 120.0° | 120.0° |
| C7 | C8 | C9 | H17 | 120.0° | 120.1° |
| C7 | C8 | C9 | C10 | 60.4° | 60.0° |
| C8 | C7 | C13 | H8 | 179.7° | 180.0° |
| C8 | C7 | C13 | H9 | 60.3° | 60.0° |
| C8 | C7 | C6 | H13 | 179.8° | 60.0° |
| C8 | C7 | C6 | H14 | 59.9° | 180.0° |
| C7 | C8 | H16 | H17 | 119.9° | 120.0° |
| C7 | C8 | C9 | H18 | 179.7° | 179.9° |
| C6 | C5 | C4 | C10 | 120.8° | 120.0° |
| C6 | C5 | C4 | O | 82.4° | 120.0° |
| C6 | C5 | C10 | C9 | 59.4° | 60.0° |
| C6 | C5 | C10 | H3 | 179.5° | 180.0° |
| C6 | C5 | C10 | H4 | 60.6° | 60.0° |
| C6 | C5 | C14 | H10 | 179.4° | 180.0° |
| C6 | C5 | C14 | H11 | 60.8° | 60.0° |
| C5 | C6 | H13 | H14 | 119.8° | 120.0° |
| C5 | C6 | C7 | H15 | 180.0° | 180.0° |
| C4 | C5 | C10 | C9 | 179.0° | 180.0° |
| C5 | C4 | N | H2 | 1.1° | 5.1° |
| C4 | C5 | C10 | H3 | 58.9° | 60.0° |
| C4 | C5 | C10 | H4 | 61.0° | 60.0° |
| C4 | C5 | C14 | H10 | 60.6° | 60.0° |
| C4 | C5 | C14 | H11 | 59.2° | 60.0° |
| C4 | C5 | C6 | H13 | 58.2° | 60.0° |
| C4 | C5 | C6 | H14 | 61.7° | 60.0° |
| C10 | C5 | C4 | O | 38.3° | 120.0° |
| C5 | C10 | C9 | C8 | 60.2° | 60.0° |
| C5 | C10 | C9 | H3 | 120.1° | 120.0° |
| C5 | C10 | C9 | H4 | 120.1° | 120.1° |
| C5 | C10 | H3 | H4 | 119.9° | 120.1° |
| C10 | C5 | C14 | H10 | 60.9° | 59.9° |
| C10 | C5 | C14 | H11 | 179.3° | 180.0° |
| C10 | C5 | C6 | H13 | 179.5° | 60.0° |
| C10 | C5 | C6 | H14 | 60.6° | 180.0° |
| C5 | C10 | C9 | H18 | 179.8° | 180.0° |
| O | C4 | N | H2 | 177.9° | 174.9° |
| C8 | C9 | C10 | H18 | 120.0° | 120.0° |
| C8 | C9 | C10 | H3 | 179.7° | 180.0° |
| C8 | C9 | C10 | H4 | 59.9° | 60.1° |
| C8 | C9 | C11 | H5 | 60.4° | 60.1° |
| C8 | C9 | C11 | H6 | 179.6° | 180.0° |
| C9 | C8 | C7 | H15 | 179.9° | 180.0° |
| C9 | C8 | H16 | H17 | 120.0° | 119.9° |
| C9 | C10 | H3 | H4 | 119.8° | 119.9° |
| C10 | C9 | C11 | H5 | 179.6° | 180.0° |
| C10 | C9 | C11 | H6 | 59.6° | 60.0° |
| C10 | C9 | C8 | H16 | 59.6° | 60.0° |
| C10 | C9 | C8 | H17 | 179.7° | 180.0° |
| H3 | C10 | C9 | H18 | 59.7° | 60.0° |
| H4 | C10 | C9 | H18 | 60.1° | 59.9° |
| H5 | C11 | C12 | H7 | 59.8° | 60.0° |
| H5 | C11 | C9 | H18 | 59.7° | 60.0° |
| H6 | C11 | C12 | H7 | 60.1° | 60.0° |
| H6 | C11 | C9 | H18 | 60.3° | 60.0° |
| H7 | C12 | C13 | H8 | 60.2° | 60.0° |
| H7 | C12 | C13 | H9 | 59.8° | 60.1° |
| H7 | C12 | C14 | H10 | 59.8° | 60.0° |
| H7 | C12 | C14 | H11 | 60.1° | 60.0° |
| H8 | C13 | C7 | H15 | 60.2° | 60.0° |
| H9 | C13 | C7 | H15 | 59.8° | 60.0° |
| H13 | C6 | C7 | H15 | 60.0° | 60.0° |
| H14 | C6 | C7 | H15 | 59.9° | 60.0° |
| H15 | C7 | C8 | H16 | 60.1° | 60.0° |
| H15 | C7 | C8 | H17 | 59.9° | 59.9° |
| H16 | C8 | C9 | H18 | 60.3° | 60.0° |
| H17 | C8 | C9 | H18 | 59.7° | 60.0° |
