N6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | S3 | sing | 1.81Å | 1.78Å | |
| O5 | S3 | doub | 1.42Å | 1.43Å | |
| S3 | N6 | sing | 1.66Å | 1.61Å | |
| S3 | O4 | doub | 1.42Å | 1.44Å | |
| N6 | C7 | sing | 1.46Å | 1.47Å | |
| C15 | N14 | doub | 1.30Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.46Å | 1.35Å | Aromatic |
| N14 | N12 | sing | 1.40Å | 1.36Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.41Å | 1.37Å | Aromatic |
| C17 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| N12 | C11 | sing | 1.37Å | 1.35Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C15 | H26 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | S3 | 111.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.4° | 109.5° |
| C1 | C2 | H20 | 109.0° | 109.5° |
| C1 | C2 | H28 | 109.0° | 109.5° |
| C2 | S3 | O5 | 108.3° | 110.5° |
| C2 | S3 | N6 | 107.5° | 104.5° |
| C2 | S3 | O4 | 107.5° | 110.6° |
| S3 | C2 | H20 | 109.0° | 109.5° |
| S3 | C2 | H28 | 109.0° | 109.5° |
| O5 | S3 | N6 | 107.5° | 104.3° |
| O5 | S3 | O4 | 120.0° | 121.0° |
| N6 | S3 | O4 | 105.5° | 104.2° |
| S3 | N6 | C7 | 119.5° | 120.0° |
| S3 | N6 | H21 | 106.9° | 120.0° |
| N6 | C7 | C8 | 112.7° | 109.5° |
| N6 | C7 | H22 | 108.6° | 109.4° |
| N6 | C7 | H23 | 108.7° | 109.5° |
| C7 | N6 | H21 | 106.9° | 120.0° |
| N14 | C15 | C16 | 111.6° | 107.8° |
| C15 | N14 | N12 | 105.3° | 110.1° |
| N14 | C15 | H26 | 124.2° | 126.2° |
| C15 | C16 | C17 | 135.0° | 134.0° |
| C15 | C16 | C11 | 106.0° | 106.3° |
| C16 | C15 | H26 | 124.2° | 126.1° |
| N14 | N12 | C11 | 109.9° | 109.1° |
| N14 | N12 | H13 | 125.1° | 125.4° |
| C17 | C16 | C11 | 118.9° | 119.7° |
| C16 | C17 | C8 | 120.8° | 119.6° |
| C16 | C17 | H27 | 119.6° | 120.3° |
| C16 | C11 | N12 | 107.1° | 106.8° |
| C16 | C11 | C10 | 121.3° | 119.4° |
| C17 | C8 | C7 | 120.0° | 119.7° |
| C17 | C8 | C9 | 119.0° | 120.6° |
| C8 | C17 | H27 | 119.6° | 120.1° |
| N12 | C11 | C10 | 131.6° | 133.8° |
| C11 | N12 | H13 | 125.0° | 125.5° |
| C11 | C10 | C9 | 119.3° | 119.9° |
| C11 | C10 | H25 | 120.3° | 120.1° |
| C7 | C8 | C9 | 121.0° | 119.7° |
| C8 | C7 | H22 | 108.7° | 109.4° |
| C8 | C7 | H23 | 108.7° | 109.5° |
| C8 | C9 | C10 | 120.7° | 120.8° |
| C8 | C9 | H24 | 119.7° | 119.6° |
| C9 | C10 | H25 | 120.4° | 120.1° |
| C10 | C9 | H24 | 119.7° | 119.6° |
| H1 | C1 | H18 | 109.4° | 109.4° |
| H1 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H20 | C2 | H28 | 109.5° | 109.4° |
| H22 | C7 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | S3 | H20 | 120.2° | 120.0° |
| C1 | C2 | S3 | H28 | 120.3° | 120.0° |
| C1 | C2 | S3 | O5 | 143.8° | 68.4° |
| C1 | C2 | S3 | N6 | 100.3° | 180.0° |
| C1 | C2 | S3 | O4 | 12.8° | 68.4° |
| C2 | C1 | H1 | H18 | 120.0° | 120.0° |
| C2 | C1 | H1 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C1 | C2 | H20 | H28 | 119.2° | 120.0° |
| C2 | S3 | O5 | N6 | 115.9° | 111.8° |
| C2 | S3 | O5 | O4 | 123.8° | 131.6° |
| C2 | S3 | N6 | O4 | 114.4° | 116.1° |
| C2 | S3 | N6 | C7 | 124.2° | 64.9° |
| S3 | C2 | C1 | H1 | 180.0° | 60.0° |
| S3 | C2 | C1 | H18 | 60.0° | 180.0° |
| S3 | C2 | C1 | H19 | 60.0° | 60.0° |
| S3 | C2 | H20 | H28 | 119.2° | 120.0° |
| C2 | S3 | N6 | H21 | 2.8° | 114.9° |
| O5 | S3 | N6 | O4 | 129.2° | 127.8° |
| O5 | S3 | N6 | C7 | 119.4° | 179.0° |
| O5 | S3 | C2 | H20 | 96.0° | 51.7° |
| O5 | S3 | C2 | H28 | 23.5° | 171.6° |
| O5 | S3 | N6 | H21 | 119.2° | 1.1° |
| S3 | N6 | C7 | H21 | 121.4° | 179.9° |
| S3 | N6 | C7 | C8 | 106.4° | 165.0° |
| N6 | S3 | C2 | H20 | 19.9° | 60.0° |
| N6 | S3 | C2 | H28 | 139.4° | 60.0° |
| S3 | N6 | C7 | H22 | 133.1° | 45.1° |
| S3 | N6 | C7 | H23 | 14.1° | 74.9° |
| O4 | S3 | N6 | C7 | 9.7° | 51.2° |
| O4 | S3 | C2 | H20 | 133.0° | 171.6° |
| O4 | S3 | C2 | H28 | 107.5° | 51.6° |
| O4 | S3 | N6 | H21 | 111.7° | 128.9° |
| N6 | C7 | C8 | C17 | 75.2° | 90.2° |
| N6 | C7 | C8 | H22 | 120.5° | 119.9° |
| N6 | C7 | C8 | H23 | 120.5° | 120.1° |
| N6 | C7 | C8 | C9 | 104.8° | 90.1° |
| N6 | C7 | H22 | H23 | 118.5° | 120.0° |
| N14 | C15 | C16 | H26 | 180.0° | 179.6° |
| N14 | C15 | C16 | C17 | 179.9° | 179.6° |
| N14 | C15 | C16 | C11 | 0.0° | 0.3° |
| C15 | N14 | N12 | C11 | 0.0° | 0.4° |
| C15 | N14 | N12 | H13 | 180.0° | 179.5° |
| C16 | C15 | N14 | N12 | 0.0° | 0.4° |
| C15 | C16 | C17 | C11 | 179.9° | 179.9° |
| C15 | C16 | C17 | C8 | 179.9° | 179.9° |
| C15 | C16 | C11 | N12 | 0.0° | 0.0° |
| C15 | C16 | C11 | C10 | 180.0° | 179.8° |
| C15 | C16 | C17 | H27 | 0.1° | 0.1° |
| N14 | N12 | C11 | C16 | 0.0° | 0.2° |
| N14 | N12 | C11 | H13 | 180.0° | 179.9° |
| N14 | N12 | C11 | C10 | 180.0° | 180.0° |
| N12 | N14 | C15 | H26 | 180.0° | 180.0° |
| C16 | C17 | C8 | H27 | 180.0° | 180.0° |
| C17 | C16 | C11 | N12 | 180.0° | 179.9° |
| C17 | C16 | C11 | C10 | 0.1° | 0.3° |
| C16 | C17 | C8 | C7 | 180.0° | 180.0° |
| C16 | C17 | C8 | C9 | 0.0° | 0.3° |
| C17 | C16 | C15 | H26 | 0.1° | 0.1° |
| C11 | C16 | C17 | C8 | 0.0° | 0.0° |
| C16 | C11 | N12 | C10 | 179.9° | 179.7° |
| C16 | C11 | C10 | C9 | 0.1° | 0.3° |
| C16 | C11 | C10 | H25 | 179.9° | 179.7° |
| C11 | C16 | C15 | H26 | 180.0° | 179.9° |
| C16 | C11 | N12 | H13 | 180.0° | 179.7° |
| C11 | C16 | C17 | H27 | 180.0° | 180.0° |
| C17 | C8 | C7 | C9 | 179.9° | 179.7° |
| C17 | C8 | C9 | C10 | 0.0° | 0.3° |
| C17 | C8 | C7 | H22 | 45.3° | 29.7° |
| C17 | C8 | C7 | H23 | 164.3° | 149.7° |
| C17 | C8 | C9 | H24 | 180.0° | 179.7° |
| N12 | C11 | C10 | C9 | 179.9° | 180.0° |
| N12 | C11 | C10 | H25 | 0.1° | 0.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C11 | C10 | C9 | H25 | 180.0° | 180.0° |
| C11 | C10 | C9 | H24 | 179.9° | 180.0° |
| C10 | C11 | N12 | H13 | 0.1° | 0.1° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C8 | C7 | H22 | H23 | 118.5° | 120.0° |
| C8 | C7 | N6 | H21 | 15.0° | 15.1° |
| C7 | C8 | C9 | H24 | 0.1° | 0.0° |
| C7 | C8 | C17 | H27 | 0.1° | 0.0° |
| C8 | C9 | C10 | H24 | 180.0° | 179.9° |
| C9 | C8 | C7 | H22 | 134.8° | 150.0° |
| C9 | C8 | C7 | H23 | 15.7° | 30.0° |
| C8 | C9 | C10 | H25 | 179.9° | 180.0° |
| C9 | C8 | C17 | H27 | 180.0° | 179.7° |
| H1 | C1 | H18 | H19 | 120.0° | 120.1° |
| H1 | C1 | C2 | H20 | 59.7° | 179.9° |
| H1 | C1 | C2 | H28 | 59.8° | 60.0° |
| H18 | C1 | C2 | H20 | 60.2° | 60.0° |
| H18 | C1 | C2 | H28 | 179.8° | 59.9° |
| H19 | C1 | C2 | H20 | 179.8° | 60.0° |
| H19 | C1 | C2 | H28 | 60.2° | 179.9° |
| H22 | C7 | N6 | H21 | 105.5° | 135.0° |
| H23 | C7 | N6 | H21 | 135.5° | 105.0° |
| H25 | C10 | C9 | H24 | 0.1° | 0.0° |
