K6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C15 | sing | 1.40Å | 1.44Å | |
| C15 | N14 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C18 | C16 | sing | 1.51Å | 1.53Å | |
| N14 | N13 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.39Å | Aromatic |
| N07 | C06 | doub | 1.30Å | 1.22Å | |
| S01 | C05 | sing | 1.75Å | 1.72Å | Aromatic |
| S01 | C02 | sing | 1.76Å | 1.79Å | Aromatic |
| N13 | C17 | sing | 1.36Å | 1.31Å | Aromatic |
| N13 | C12 | sing | 1.40Å | 1.35Å | |
| C06 | C05 | sing | 1.47Å | 1.54Å | |
| C06 | N08 | sing | 1.38Å | 1.47Å | |
| C05 | C04 | doub | 1.34Å | 1.42Å | Aromatic |
| C12 | C02 | doub | 1.40Å | 1.44Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C09 | doub | 1.42Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.36Å | 1.44Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| N07 | H9 | sing | 0.97Å | 1.00Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å | |
| N08 | H11 | sing | 0.97Å | 1.00Å | |
| N19 | H12 | sing | 0.97Å | 1.00Å | |
| N19 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C15 | N14 | 127.2° | 125.9° |
| N19 | C15 | C16 | 124.9° | 125.9° |
| C15 | N19 | H12 | 109.5° | 120.0° |
| C15 | N19 | H13 | 109.5° | 120.0° |
| N14 | C15 | C16 | 107.9° | 108.2° |
| C15 | N14 | N13 | 108.2° | 108.2° |
| C15 | C16 | C18 | 126.3° | 126.0° |
| C15 | C16 | C17 | 106.9° | 107.9° |
| C18 | C16 | C17 | 126.8° | 126.1° |
| C16 | C18 | H6 | 109.5° | 109.4° |
| C16 | C18 | H7 | 109.4° | 109.4° |
| C16 | C18 | H8 | 109.5° | 109.5° |
| N14 | N13 | C17 | 109.3° | 108.0° |
| N14 | N13 | C12 | 126.6° | 126.0° |
| C16 | C17 | N13 | 107.7° | 107.8° |
| C16 | C17 | H2 | 126.1° | 126.1° |
| N07 | C06 | C05 | 121.8° | 120.0° |
| N07 | C06 | N08 | 120.8° | 120.0° |
| C06 | N07 | H9 | 112.0° | 120.0° |
| C05 | S01 | C02 | 95.4° | 91.7° |
| S01 | C05 | C06 | 127.9° | 124.7° |
| S01 | C05 | C04 | 106.4° | 110.7° |
| S01 | C02 | C12 | 134.0° | 130.6° |
| S01 | C02 | C03 | 107.9° | 109.6° |
| C17 | N13 | C12 | 124.1° | 126.0° |
| N13 | C17 | H2 | 126.2° | 126.1° |
| N13 | C12 | C02 | 119.3° | 120.0° |
| N13 | C12 | C11 | 119.6° | 120.0° |
| C05 | C06 | N08 | 117.4° | 119.9° |
| C06 | C05 | C04 | 125.7° | 124.6° |
| C06 | N08 | H10 | 120.0° | 120.0° |
| C06 | N08 | H11 | 120.0° | 120.0° |
| C05 | C04 | C03 | 116.5° | 115.5° |
| C05 | C04 | H3 | 121.7° | 122.3° |
| C02 | C12 | C11 | 121.1° | 120.1° |
| C12 | C02 | C03 | 118.1° | 119.8° |
| C12 | C11 | C10 | 120.9° | 120.1° |
| C12 | C11 | H5 | 119.6° | 120.0° |
| C02 | C03 | C04 | 113.8° | 112.5° |
| C02 | C03 | C09 | 121.3° | 118.7° |
| C04 | C03 | C09 | 124.8° | 128.8° |
| C03 | C04 | H3 | 121.8° | 122.2° |
| C11 | C10 | C09 | 118.8° | 120.8° |
| C11 | C10 | H1 | 120.6° | 119.7° |
| C10 | C11 | H5 | 119.6° | 119.9° |
| C03 | C09 | C10 | 119.8° | 120.6° |
| C03 | C09 | H4 | 120.1° | 119.7° |
| C09 | C10 | H1 | 120.6° | 119.6° |
| C10 | C09 | H4 | 120.1° | 119.7° |
| H6 | C18 | H7 | 109.5° | 109.4° |
| H6 | C18 | H8 | 109.4° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H10 | N08 | H11 | 120.0° | 120.0° |
| H12 | N19 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C15 | N14 | C16 | 179.4° | 179.7° |
| N19 | C15 | C16 | C18 | 0.3° | 0.3° |
| N19 | C15 | N14 | N13 | 179.8° | 179.7° |
| N19 | C15 | C16 | C17 | 179.5° | 179.7° |
| C15 | N19 | H12 | H13 | 120.0° | 180.0° |
| N14 | C15 | C16 | C18 | 179.7° | 180.0° |
| N14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | N14 | N13 | C17 | 0.6° | 0.0° |
| C15 | N14 | N13 | C12 | 179.0° | 179.9° |
| N14 | C15 | N19 | H12 | 0.0° | 0.1° |
| N14 | C15 | N19 | H13 | 120.0° | 180.0° |
| C15 | C16 | C18 | C17 | 179.7° | 179.9° |
| C16 | C15 | N14 | N13 | 0.4° | 0.0° |
| C15 | C16 | C17 | N13 | 0.3° | 0.0° |
| C15 | C16 | C17 | H2 | 179.7° | 179.9° |
| C15 | C16 | C18 | H6 | 90.1° | 90.1° |
| C15 | C16 | C18 | H7 | 149.8° | 150.0° |
| C15 | C16 | C18 | H8 | 29.9° | 29.9° |
| C16 | C15 | N19 | H12 | 179.3° | 179.7° |
| C16 | C15 | N19 | H13 | 60.7° | 0.3° |
| C18 | C16 | C17 | N13 | 180.0° | 180.0° |
| C18 | C16 | C17 | H2 | 0.0° | 0.0° |
| C16 | C18 | H6 | H7 | 120.0° | 119.9° |
| C16 | C18 | H6 | H8 | 120.0° | 120.0° |
| C16 | C18 | H7 | H8 | 120.0° | 120.1° |
| N14 | N13 | C17 | C16 | 0.6° | 0.0° |
| N14 | N13 | C17 | C12 | 179.7° | 180.0° |
| N14 | N13 | C12 | C02 | 30.6° | 0.0° |
| N14 | N13 | C12 | C11 | 149.4° | 179.7° |
| N14 | N13 | C17 | H2 | 179.4° | 179.9° |
| C16 | C17 | N13 | H2 | 180.0° | 179.9° |
| C16 | C17 | N13 | C12 | 179.1° | 180.0° |
| C17 | C16 | C18 | H6 | 90.2° | 89.9° |
| C17 | C16 | C18 | H7 | 29.8° | 30.0° |
| C17 | C16 | C18 | H8 | 149.8° | 150.0° |
| N07 | C06 | C05 | S01 | 3.5° | 179.4° |
| N07 | C06 | C05 | N08 | 178.0° | 179.9° |
| N07 | C06 | C05 | C04 | 177.0° | 0.1° |
| N07 | C06 | N08 | H10 | 178.0° | 179.9° |
| N07 | C06 | N08 | H11 | 2.0° | 0.0° |
| S01 | C05 | C06 | C04 | 179.5° | 179.5° |
| S01 | C05 | C06 | N08 | 174.5° | 0.5° |
| C05 | S01 | C02 | C12 | 180.0° | 180.0° |
| C05 | S01 | C02 | C03 | 0.7° | 0.7° |
| S01 | C05 | C04 | C03 | 0.4° | 0.6° |
| S01 | C05 | C04 | H3 | 179.7° | 179.4° |
| S01 | C02 | C12 | N13 | 0.4° | 0.8° |
| C02 | S01 | C05 | C06 | 179.8° | 179.8° |
| C02 | S01 | C05 | C04 | 0.2° | 0.7° |
| S01 | C02 | C12 | C03 | 179.2° | 179.3° |
| S01 | C02 | C12 | C11 | 179.7° | 179.6° |
| S01 | C02 | C03 | C04 | 1.0° | 0.5° |
| S01 | C02 | C03 | C09 | 179.7° | 180.0° |
| C17 | N13 | C12 | C02 | 149.8° | 180.0° |
| C17 | N13 | C12 | C11 | 30.2° | 0.4° |
| N13 | C12 | C02 | C11 | 179.9° | 179.6° |
| N13 | C12 | C02 | C03 | 179.6° | 180.0° |
| N13 | C12 | C11 | C10 | 179.5° | 179.7° |
| C12 | N13 | C17 | H2 | 0.9° | 0.0° |
| N13 | C12 | C11 | H5 | 0.5° | 0.3° |
| C06 | C05 | C04 | C03 | 179.3° | 179.9° |
| C06 | C05 | C04 | H3 | 0.7° | 0.1° |
| C05 | C06 | N07 | H9 | 177.9° | 180.0° |
| C05 | C06 | N08 | H10 | 0.0° | 0.0° |
| C05 | C06 | N08 | H11 | 180.0° | 179.9° |
| N08 | C06 | C05 | C04 | 5.0° | 180.0° |
| N08 | C06 | N07 | H9 | 0.0° | 0.1° |
| C06 | N08 | H10 | H11 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 1.0° | 0.0° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | C09 | 179.8° | 179.4° |
| C12 | C02 | C03 | C04 | 179.5° | 179.9° |
| C02 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C02 | C03 | C09 | 0.3° | 0.6° |
| C02 | C12 | C11 | H5 | 179.5° | 180.0° |
| C11 | C12 | C02 | C03 | 0.5° | 0.3° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.4° | 0.0° |
| C12 | C11 | C10 | H1 | 179.6° | 179.8° |
| C02 | C03 | C04 | C09 | 179.2° | 179.4° |
| C02 | C03 | C09 | C10 | 0.2° | 0.5° |
| C02 | C03 | C04 | H3 | 179.0° | 180.0° |
| C02 | C03 | C09 | H4 | 179.8° | 179.4° |
| C04 | C03 | C09 | C10 | 179.4° | 179.9° |
| C04 | C03 | C09 | H4 | 0.6° | 0.0° |
| C11 | C10 | C09 | C03 | 0.3° | 0.2° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | H4 | 179.7° | 179.7° |
| C03 | C09 | C10 | H4 | 180.0° | 179.9° |
| C03 | C09 | C10 | H1 | 179.7° | 180.0° |
| C09 | C03 | C04 | H3 | 0.1° | 0.6° |
| C09 | C10 | C11 | H5 | 179.6° | 180.0° |
| H1 | C10 | C09 | H4 | 0.3° | 0.1° |
| H1 | C10 | C11 | H5 | 0.4° | 0.3° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
