H6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N13 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.54Å | 1.51Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C12 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | sing | 1.55Å | 1.51Å | |
| C12 | C17 | sing | 1.55Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | O09 | sing | 1.43Å | 1.42Å | |
| O09 | C08 | sing | 1.43Å | 1.43Å | |
| CL | C02 | sing | 1.74Å | 1.73Å | |
| C20 | C21 | sing | 1.45Å | 1.40Å | Aromatic |
| C20 | C18 | doub | 1.32Å | 1.37Å | Aromatic |
| N29 | C21 | doub | 1.34Å | 1.36Å | Aromatic |
| N29 | C28 | sing | 1.31Å | 1.35Å | Aromatic |
| C08 | C18 | sing | 1.51Å | 1.51Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C02 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | S19 | sing | 1.75Å | 1.76Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | S19 | sing | 1.76Å | 1.79Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.45Å | Aromatic |
| C27 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.49Å | |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C24 | O26 | sing | 1.35Å | 1.32Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| O26 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C15 | C16 | 105.0° | 107.2° |
| C15 | N13 | C14 | 110.0° | 111.0° |
| C15 | N13 | C12 | 106.8° | 108.5° |
| N13 | C15 | H14 | 110.6° | 109.9° |
| N13 | C15 | H15 | 110.6° | 109.9° |
| C15 | C16 | C17 | 105.0° | 103.0° |
| C16 | C15 | H14 | 110.6° | 109.9° |
| C16 | C15 | H15 | 110.6° | 109.9° |
| C15 | C16 | H16 | 110.6° | 110.7° |
| C15 | C16 | H17 | 110.6° | 110.7° |
| C14 | N13 | C12 | 114.1° | 111.0° |
| N13 | C14 | H11 | 109.5° | 109.4° |
| N13 | C14 | H12 | 109.5° | 109.5° |
| N13 | C14 | H13 | 109.5° | 109.5° |
| N13 | C12 | C17 | 106.0° | 104.8° |
| N13 | C12 | C11 | 108.9° | 110.4° |
| N13 | C12 | H10 | 109.4° | 110.5° |
| C16 | C17 | C12 | 105.9° | 101.6° |
| C17 | C16 | H16 | 110.6° | 110.7° |
| C17 | C16 | H17 | 110.6° | 110.8° |
| C16 | C17 | H18 | 110.4° | 111.0° |
| C16 | C17 | H19 | 110.3° | 111.0° |
| C17 | C12 | C11 | 114.9° | 110.4° |
| C17 | C12 | H10 | 108.7° | 110.4° |
| C12 | C17 | H18 | 110.4° | 111.0° |
| C12 | C17 | H19 | 110.4° | 111.0° |
| C12 | C11 | C10 | 114.6° | 109.5° |
| C12 | C11 | H8 | 108.1° | 109.4° |
| C12 | C11 | H9 | 108.2° | 109.5° |
| C11 | C12 | H10 | 109.0° | 110.3° |
| C11 | C10 | O09 | 109.7° | 109.5° |
| C11 | C10 | H6 | 109.4° | 109.5° |
| C11 | C10 | H7 | 109.4° | 109.5° |
| C10 | C11 | H8 | 108.2° | 109.5° |
| C10 | C11 | H9 | 108.2° | 109.5° |
| C10 | O09 | C08 | 113.3° | 114.0° |
| O09 | C10 | H6 | 109.4° | 109.5° |
| O09 | C10 | H7 | 109.4° | 109.4° |
| O09 | C08 | C18 | 112.1° | 109.5° |
| O09 | C08 | C07 | 111.8° | 109.5° |
| O09 | C08 | H5 | 107.6° | 109.5° |
| CL | C02 | C07 | 121.0° | 120.0° |
| CL | C02 | C03 | 118.3° | 120.0° |
| C21 | C20 | C18 | 116.0° | 115.0° |
| C20 | C21 | N29 | 123.2° | 129.1° |
| C20 | C21 | C22 | 114.0° | 111.6° |
| C21 | C20 | H20 | 122.0° | 122.5° |
| C20 | C18 | C08 | 128.9° | 124.3° |
| C20 | C18 | S19 | 109.2° | 111.4° |
| C18 | C20 | H20 | 122.0° | 122.5° |
| C21 | N29 | C28 | 118.5° | 122.6° |
| N29 | C21 | C22 | 122.7° | 119.3° |
| N29 | C28 | C27 | 123.1° | 121.6° |
| N29 | C28 | H22 | 118.5° | 119.2° |
| C18 | C08 | C07 | 111.6° | 109.5° |
| C08 | C18 | S19 | 121.9° | 124.3° |
| C18 | C08 | H5 | 106.7° | 109.5° |
| C08 | C07 | C02 | 123.7° | 120.0° |
| C08 | C07 | C06 | 118.6° | 120.0° |
| C07 | C08 | H5 | 106.7° | 109.4° |
| C07 | C02 | C03 | 120.7° | 120.0° |
| C02 | C07 | C06 | 117.7° | 120.0° |
| C02 | C03 | C04 | 120.5° | 120.0° |
| C02 | C03 | H1 | 119.7° | 120.0° |
| C21 | C22 | S19 | 108.2° | 109.8° |
| C21 | C22 | C23 | 118.1° | 119.3° |
| C18 | S19 | C22 | 92.6° | 92.1° |
| C28 | C27 | C23 | 119.9° | 119.0° |
| C28 | C27 | H21 | 120.0° | 120.5° |
| C27 | C28 | H22 | 118.5° | 119.2° |
| C07 | C06 | C05 | 121.5° | 120.0° |
| C07 | C06 | H4 | 119.3° | 120.0° |
| C03 | C04 | C05 | 119.6° | 120.0° |
| C04 | C03 | H1 | 119.8° | 120.0° |
| C03 | C04 | H2 | 120.2° | 120.0° |
| C06 | C05 | C04 | 120.0° | 120.1° |
| C06 | C05 | H3 | 120.0° | 119.9° |
| C05 | C06 | H4 | 119.2° | 120.0° |
| S19 | C22 | C23 | 133.6° | 130.9° |
| C22 | C23 | C27 | 117.7° | 118.3° |
| C22 | C23 | C24 | 122.1° | 120.9° |
| C27 | C23 | C24 | 120.2° | 120.8° |
| C23 | C27 | H21 | 120.1° | 120.5° |
| C05 | C04 | H2 | 120.2° | 120.1° |
| C04 | C05 | H3 | 120.0° | 120.0° |
| C23 | C24 | O25 | 121.2° | 120.0° |
| C23 | C24 | O26 | 119.4° | 120.0° |
| O25 | C24 | O26 | 119.4° | 120.0° |
| C24 | O26 | H23 | 109.5° | 117.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.4° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.4° | 110.0° |
| H16 | C16 | H17 | 109.5° | 110.7° |
| H18 | C17 | H19 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C15 | C16 | H14 | 119.3° | 119.4° |
| N13 | C15 | C16 | H15 | 119.3° | 119.4° |
| C15 | N13 | C14 | C12 | 120.0° | 120.8° |
| N13 | C15 | C16 | C17 | 31.5° | 22.2° |
| C15 | N13 | C12 | C17 | 22.8° | 24.1° |
| C15 | N13 | C12 | C11 | 146.8° | 143.0° |
| C15 | N13 | C12 | H10 | 94.2° | 94.8° |
| C15 | N13 | C14 | H11 | 180.0° | 65.2° |
| C15 | N13 | C14 | H12 | 60.0° | 174.8° |
| C15 | N13 | C14 | H13 | 60.0° | 54.8° |
| N13 | C15 | H14 | H15 | 122.1° | 121.1° |
| N13 | C15 | C16 | H16 | 150.8° | 96.1° |
| N13 | C15 | C16 | H17 | 87.7° | 140.7° |
| C16 | C15 | N13 | C14 | 158.3° | 123.3° |
| C16 | C15 | N13 | C12 | 33.9° | 1.0° |
| C15 | C16 | C17 | H16 | 119.3° | 118.4° |
| C15 | C16 | C17 | H17 | 119.3° | 118.4° |
| C15 | C16 | C17 | C12 | 17.3° | 35.6° |
| C16 | C15 | H14 | H15 | 122.0° | 121.2° |
| C15 | C16 | H16 | H17 | 122.1° | 123.2° |
| C15 | C16 | C17 | H18 | 102.1° | 82.5° |
| C15 | C16 | C17 | H19 | 136.7° | 153.7° |
| C14 | N13 | C12 | C17 | 144.5° | 146.4° |
| C14 | N13 | C12 | C11 | 91.4° | 94.8° |
| C14 | N13 | C12 | H10 | 27.6° | 27.5° |
| N13 | C14 | H11 | H12 | 120.0° | 120.0° |
| N13 | C14 | H11 | H13 | 120.0° | 120.0° |
| N13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | N13 | C15 | H14 | 39.0° | 117.3° |
| C14 | N13 | C15 | H15 | 82.4° | 3.8° |
| N13 | C12 | C17 | C16 | 2.8° | 37.1° |
| N13 | C12 | C17 | C11 | 120.2° | 118.8° |
| N13 | C12 | C17 | H10 | 117.4° | 119.0° |
| N13 | C12 | C11 | H10 | 119.2° | 122.4° |
| N13 | C12 | C11 | C10 | 149.0° | 70.1° |
| N13 | C12 | C11 | H8 | 28.2° | 49.8° |
| N13 | C12 | C11 | H9 | 90.2° | 169.8° |
| C12 | N13 | C14 | H11 | 60.0° | 55.6° |
| C12 | N13 | C14 | H12 | 180.0° | 64.3° |
| C12 | N13 | C14 | H13 | 60.0° | 175.6° |
| C12 | N13 | C15 | H14 | 85.4° | 120.4° |
| C12 | N13 | C15 | H15 | 153.2° | 118.4° |
| N13 | C12 | C17 | H18 | 122.3° | 81.0° |
| N13 | C12 | C17 | H19 | 116.6° | 155.1° |
| C16 | C17 | C12 | H18 | 119.4° | 118.1° |
| C16 | C17 | C12 | H19 | 119.4° | 118.1° |
| C16 | C17 | C12 | C11 | 123.0° | 155.9° |
| C16 | C17 | C12 | H10 | 114.6° | 81.9° |
| C17 | C16 | C15 | H14 | 87.8° | 97.1° |
| C17 | C16 | C15 | H15 | 150.8° | 141.7° |
| C17 | C16 | H16 | H17 | 122.1° | 123.2° |
| C16 | C17 | H18 | H19 | 121.7° | 123.8° |
| C17 | C12 | C11 | H10 | 122.2° | 122.2° |
| C17 | C12 | C11 | C10 | 30.4° | 174.5° |
| C17 | C12 | C11 | H8 | 90.4° | 65.6° |
| C17 | C12 | C11 | H9 | 151.2° | 54.4° |
| C12 | C17 | C16 | H16 | 136.6° | 82.7° |
| C12 | C17 | C16 | H17 | 102.0° | 154.0° |
| C12 | C17 | H18 | H19 | 121.7° | 123.9° |
| C12 | C11 | C10 | H8 | 120.8° | 120.0° |
| C12 | C11 | C10 | H9 | 120.8° | 120.1° |
| C12 | C11 | C10 | O09 | 58.8° | 174.5° |
| C12 | C11 | C10 | H6 | 61.2° | 65.4° |
| C12 | C11 | C10 | H7 | 178.9° | 54.6° |
| C12 | C11 | H8 | H9 | 117.6° | 120.0° |
| C11 | C12 | C17 | H18 | 117.5° | 37.8° |
| C11 | C12 | C17 | H19 | 3.6° | 86.0° |
| C11 | C10 | O09 | H6 | 120.0° | 120.0° |
| C11 | C10 | O09 | H7 | 120.1° | 120.0° |
| C11 | C10 | O09 | C08 | 149.6° | 180.0° |
| C11 | C10 | H6 | H7 | 119.9° | 120.0° |
| C10 | C11 | H8 | H9 | 117.7° | 120.0° |
| C10 | C11 | C12 | H10 | 91.8° | 52.2° |
| C10 | O09 | C08 | C18 | 76.8° | 150.0° |
| C10 | O09 | C08 | C07 | 157.0° | 90.0° |
| C10 | O09 | C08 | H5 | 40.2° | 30.0° |
| O09 | C10 | H6 | H7 | 119.9° | 120.0° |
| O09 | C10 | C11 | H8 | 179.6° | 65.5° |
| O09 | C10 | C11 | H9 | 62.0° | 54.5° |
| O09 | C08 | C18 | C20 | 6.5° | 145.3° |
| O09 | C08 | C18 | C07 | 126.3° | 120.0° |
| O09 | C08 | C18 | H5 | 117.6° | 120.1° |
| O09 | C08 | C07 | H5 | 117.4° | 120.0° |
| O09 | C08 | C07 | C02 | 48.1° | 155.0° |
| O09 | C08 | C18 | S19 | 174.2° | 35.0° |
| O09 | C08 | C07 | C06 | 133.2° | 25.0° |
| C08 | O09 | C10 | H6 | 90.4° | 60.0° |
| C08 | O09 | C10 | H7 | 29.5° | 60.0° |
| CL | C02 | C07 | C08 | 1.0° | 0.3° |
| CL | C02 | C07 | C03 | 179.4° | 179.7° |
| CL | C02 | C07 | C06 | 179.7° | 179.8° |
| CL | C02 | C03 | C04 | 179.9° | 179.7° |
| CL | C02 | C03 | H1 | 0.1° | 0.3° |
| C21 | C20 | C18 | H20 | 180.0° | 180.0° |
| C20 | C21 | N29 | C22 | 179.8° | 180.0° |
| C20 | C21 | N29 | C28 | 179.9° | 180.0° |
| C21 | C20 | C18 | C08 | 179.9° | 180.0° |
| C21 | C20 | C18 | S19 | 0.5° | 0.3° |
| C20 | C21 | C22 | S19 | 0.0° | 0.3° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C18 | C20 | C21 | N29 | 179.8° | 180.0° |
| C20 | C18 | C08 | S19 | 179.3° | 179.7° |
| C20 | C18 | C08 | C07 | 119.9° | 94.7° |
| C18 | C20 | C21 | C22 | 0.3° | 0.0° |
| C20 | C18 | S19 | C22 | 0.4° | 0.4° |
| C20 | C18 | C08 | H5 | 124.0° | 25.2° |
| C21 | N29 | C28 | C27 | 0.0° | 0.0° |
| N29 | C21 | C22 | S19 | 179.9° | 179.7° |
| N29 | C21 | C22 | C23 | 0.0° | 0.0° |
| N29 | C21 | C20 | H20 | 0.2° | 0.1° |
| C21 | N29 | C28 | H22 | 180.0° | 180.0° |
| C28 | N29 | C21 | C22 | 0.1° | 0.0° |
| N29 | C28 | C27 | H22 | 180.0° | 179.9° |
| N29 | C28 | C27 | C23 | 0.1° | 0.0° |
| N29 | C28 | C27 | H21 | 179.9° | 180.0° |
| C18 | C08 | C07 | H5 | 116.1° | 120.0° |
| C18 | C08 | C07 | C02 | 78.4° | 85.0° |
| C18 | C08 | C07 | C06 | 100.3° | 95.0° |
| C08 | C18 | S19 | C22 | 179.8° | 179.9° |
| C08 | C18 | C20 | H20 | 0.1° | 0.0° |
| C08 | C07 | C02 | C06 | 178.8° | 179.9° |
| C08 | C07 | C02 | C03 | 179.6° | 180.0° |
| C07 | C08 | C18 | S19 | 59.5° | 85.0° |
| C08 | C07 | C06 | C05 | 179.5° | 179.9° |
| C08 | C07 | C06 | H4 | 0.5° | 0.0° |
| C07 | C02 | C03 | C04 | 0.5° | 0.0° |
| C02 | C07 | C06 | C05 | 0.7° | 0.1° |
| C07 | C02 | C03 | H1 | 179.5° | 180.0° |
| C02 | C07 | C06 | H4 | 179.3° | 180.0° |
| C02 | C07 | C08 | H5 | 165.5° | 35.0° |
| C03 | C02 | C07 | C06 | 0.8° | 0.1° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| C21 | C22 | S19 | C18 | 0.2° | 0.3° |
| C21 | C22 | S19 | C23 | 179.8° | 179.7° |
| C21 | C22 | C23 | C27 | 0.1° | 0.1° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C22 | C21 | C20 | H20 | 179.7° | 180.0° |
| C18 | S19 | C22 | C23 | 180.0° | 179.9° |
| S19 | C18 | C08 | H5 | 56.6° | 155.1° |
| S19 | C18 | C20 | H20 | 179.5° | 179.8° |
| C28 | C27 | C23 | C22 | 0.2° | 0.0° |
| C28 | C27 | C23 | H21 | 180.0° | 180.0° |
| C28 | C27 | C23 | C24 | 179.7° | 180.0° |
| C07 | C06 | C05 | H4 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.2° | 0.1° |
| C07 | C06 | C05 | H3 | 179.8° | 180.0° |
| C06 | C07 | C08 | H5 | 15.8° | 145.1° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | H3 | 179.8° | 180.0° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | H2 | 179.8° | 180.0° |
| S19 | C22 | C23 | C27 | 179.9° | 179.6° |
| S19 | C22 | C23 | C24 | 0.5° | 0.3° |
| C22 | C23 | C27 | C24 | 179.6° | 180.0° |
| C22 | C23 | C24 | O25 | 157.6° | 0.1° |
| C22 | C23 | C24 | O26 | 21.6° | 180.0° |
| C22 | C23 | C27 | H21 | 179.8° | 180.0° |
| C27 | C23 | C24 | O25 | 21.9° | 180.0° |
| C27 | C23 | C24 | O26 | 158.8° | 0.0° |
| C23 | C27 | C28 | H22 | 179.9° | 180.0° |
| C05 | C04 | C03 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | H4 | 179.8° | 180.0° |
| C23 | C24 | O25 | O26 | 179.3° | 180.0° |
| C24 | C23 | C27 | H21 | 0.3° | 0.0° |
| C23 | C24 | O26 | H23 | 179.3° | 180.0° |
| O25 | C24 | O26 | H23 | 0.0° | 0.0° |
| H1 | C03 | C04 | H2 | 0.1° | 0.0° |
| H2 | C04 | C05 | H3 | 0.2° | 0.0° |
| H3 | C05 | C06 | H4 | 0.2° | 0.0° |
| H6 | C10 | C11 | H8 | 59.5° | 54.5° |
| H6 | C10 | C11 | H9 | 178.0° | 174.5° |
| H7 | C10 | C11 | H8 | 60.4° | 174.5° |
| H7 | C10 | C11 | H9 | 58.1° | 65.5° |
| H8 | C11 | C12 | H10 | 147.4° | 172.2° |
| H9 | C11 | C12 | H10 | 29.0° | 67.8° |
| H10 | C12 | C17 | H18 | 4.8° | 160.0° |
| H10 | C12 | C17 | H19 | 126.0° | 36.2° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | C16 | H16 | 31.5° | 144.5° |
| H14 | C15 | C16 | H17 | 152.9° | 21.3° |
| H15 | C15 | C16 | H16 | 89.9° | 23.3° |
| H15 | C15 | C16 | H17 | 31.6° | 99.9° |
| H16 | C16 | C17 | H18 | 17.1° | 159.1° |
| H16 | C16 | C17 | H19 | 104.0° | 35.4° |
| H17 | C16 | C17 | H18 | 138.6° | 35.9° |
| H17 | C16 | C17 | H19 | 17.4° | 87.8° |
| H21 | C27 | C28 | H22 | 0.1° | 0.0° |
