8H6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C26 | C20 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C3 | C15 | sing | 1.53Å | 1.53Å | |
| C3 | C14 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.51Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.47Å | |
| S13 | C19 | sing | 1.71Å | 1.64Å | |
| S13 | C12 | sing | 1.81Å | 1.74Å | |
| C21 | O25 | doub | 1.21Å | 1.24Å | |
| C4 | O16 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C19 | O24 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C7 | N6 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C5 | N6 | sing | 1.35Å | 1.30Å | |
| C5 | O17 | doub | 1.21Å | 1.19Å | |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| N10 | C9 | sing | 1.35Å | 1.24Å | |
| C9 | C8 | sing | 1.51Å | 1.54Å | |
| C9 | O18 | doub | 1.21Å | 1.23Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| N10 | H17 | sing | 0.97Å | 1.00Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 110.7° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.1° |
| O1 | C2 | H6 | 109.2° | 109.4° |
| O1 | C2 | H7 | 109.2° | 109.5° |
| C2 | C3 | C15 | 103.9° | 109.5° |
| C2 | C3 | C14 | 109.7° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.5° |
| C3 | C2 | H6 | 109.1° | 109.5° |
| C3 | C2 | H7 | 109.2° | 109.5° |
| C26 | C20 | C21 | 111.3° | 109.5° |
| C26 | C20 | C19 | 110.2° | 109.5° |
| C26 | C20 | H22 | 107.8° | 109.5° |
| C20 | C26 | H23 | 109.5° | 109.5° |
| C20 | C26 | H24 | 109.4° | 109.5° |
| C20 | C26 | H25 | 109.5° | 109.5° |
| C23 | C22 | C21 | 105.6° | 109.5° |
| C23 | C22 | H26 | 110.4° | 109.5° |
| C23 | C22 | H27 | 110.4° | 109.4° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.4° |
| C15 | C3 | C14 | 109.5° | 109.5° |
| C15 | C3 | C4 | 112.1° | 109.5° |
| C3 | C15 | H3 | 109.5° | 109.4° |
| C3 | C15 | H4 | 109.5° | 109.4° |
| C3 | C15 | H5 | 109.5° | 109.5° |
| C14 | C3 | C4 | 109.5° | 109.5° |
| C3 | C14 | H8 | 109.5° | 109.5° |
| C3 | C14 | H9 | 109.5° | 109.5° |
| C3 | C14 | H10 | 109.5° | 109.4° |
| C3 | C4 | O16 | 106.3° | 109.5° |
| C3 | C4 | C5 | 117.1° | 109.5° |
| C3 | C4 | H2 | 108.6° | 109.5° |
| C21 | C20 | C19 | 110.4° | 109.5° |
| C20 | C21 | C22 | 112.8° | 120.0° |
| C20 | C21 | O25 | 123.9° | 120.0° |
| C21 | C20 | H22 | 108.4° | 109.5° |
| C20 | C19 | S13 | 115.4° | 120.0° |
| C20 | C19 | O24 | 122.6° | 120.0° |
| C19 | C20 | H22 | 108.7° | 109.4° |
| C22 | C21 | O25 | 122.2° | 120.0° |
| C21 | C22 | H26 | 110.4° | 109.5° |
| C21 | C22 | H27 | 110.4° | 109.5° |
| C19 | S13 | C12 | 111.0° | 100.0° |
| S13 | C19 | O24 | 122.0° | 120.0° |
| S13 | C12 | C11 | 107.2° | 109.5° |
| S13 | C12 | H20 | 110.0° | 109.5° |
| S13 | C12 | H21 | 110.1° | 109.5° |
| O16 | C4 | C5 | 105.5° | 109.5° |
| O16 | C4 | H2 | 110.4° | 109.5° |
| C4 | O16 | H11 | 109.5° | 114.0° |
| C4 | C5 | N6 | 125.6° | 120.0° |
| C4 | C5 | O17 | 115.9° | 120.0° |
| C5 | C4 | H2 | 108.9° | 109.5° |
| C12 | C11 | N10 | 107.2° | 109.5° |
| C12 | C11 | H18 | 110.1° | 109.4° |
| C12 | C11 | H19 | 110.0° | 109.5° |
| C11 | C12 | H20 | 110.0° | 109.4° |
| C11 | C12 | H21 | 110.0° | 109.5° |
| N6 | C7 | C8 | 107.6° | 109.4° |
| C7 | N6 | C5 | 135.1° | 120.0° |
| C7 | N6 | H12 | 112.5° | 120.0° |
| N6 | C7 | H13 | 109.9° | 109.5° |
| N6 | C7 | H14 | 109.9° | 109.5° |
| C7 | C8 | C9 | 116.8° | 109.4° |
| C8 | C7 | H13 | 110.0° | 109.5° |
| C8 | C7 | H14 | 110.0° | 109.5° |
| C7 | C8 | H15 | 107.6° | 109.5° |
| C7 | C8 | H16 | 107.6° | 109.5° |
| N6 | C5 | O17 | 117.1° | 120.0° |
| C5 | N6 | H12 | 112.5° | 120.0° |
| C11 | N10 | C9 | 126.1° | 119.9° |
| C11 | N10 | H17 | 117.0° | 120.0° |
| N10 | C11 | H18 | 110.1° | 109.5° |
| N10 | C11 | H19 | 110.0° | 109.5° |
| N10 | C9 | C8 | 114.4° | 120.0° |
| N10 | C9 | O18 | 118.3° | 120.0° |
| C9 | N10 | H17 | 117.0° | 120.0° |
| C8 | C9 | O18 | 124.4° | 120.0° |
| C9 | C8 | H15 | 107.6° | 109.5° |
| C9 | C8 | H16 | 107.6° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.4° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C2 | H7 | 109.4° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H13 | C7 | H14 | 109.4° | 109.5° |
| H15 | C8 | H16 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H25 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H6 | 120.2° | 120.0° |
| O1 | C2 | C3 | H7 | 120.2° | 120.0° |
| O1 | C2 | C3 | C15 | 177.4° | 60.0° |
| O1 | C2 | C3 | C14 | 65.7° | 60.0° |
| O1 | C2 | C3 | C4 | 56.2° | 180.0° |
| O1 | C2 | H6 | H7 | 119.4° | 119.9° |
| C2 | C3 | C15 | C14 | 117.2° | 120.0° |
| C2 | C3 | C15 | C4 | 121.1° | 120.0° |
| C2 | C3 | C14 | C4 | 123.2° | 120.0° |
| C2 | C3 | C4 | O16 | 102.6° | 65.4° |
| C2 | C3 | C4 | C5 | 139.9° | 54.6° |
| C3 | C2 | O1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H2 | 16.1° | 174.7° |
| C2 | C3 | C15 | H3 | 180.0° | 173.0° |
| C2 | C3 | C15 | H4 | 60.0° | 53.0° |
| C2 | C3 | C15 | H5 | 60.0° | 67.0° |
| C3 | C2 | H6 | H7 | 119.4° | 120.0° |
| C2 | C3 | C14 | H8 | 180.0° | 56.8° |
| C2 | C3 | C14 | H9 | 60.0° | 63.2° |
| C2 | C3 | C14 | H10 | 60.0° | 176.8° |
| C26 | C20 | C21 | C19 | 122.7° | 120.0° |
| C26 | C20 | C21 | H22 | 118.4° | 120.0° |
| C26 | C20 | C19 | H22 | 117.9° | 120.0° |
| C26 | C20 | C21 | C22 | 91.5° | 90.0° |
| C26 | C20 | C19 | S13 | 12.7° | 60.0° |
| C26 | C20 | C21 | O25 | 76.6° | 90.0° |
| C26 | C20 | C19 | O24 | 169.4° | 120.0° |
| C20 | C26 | H23 | H24 | 120.0° | 120.0° |
| C20 | C26 | H23 | H25 | 120.0° | 120.0° |
| C20 | C26 | H24 | H25 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 50.8° | 180.0° |
| C23 | C22 | C21 | H26 | 119.4° | 120.0° |
| C23 | C22 | C21 | H27 | 119.4° | 120.0° |
| C23 | C22 | C21 | O25 | 117.5° | 0.0° |
| C23 | C22 | H26 | H27 | 121.8° | 119.9° |
| C22 | C23 | H28 | H29 | 120.0° | 120.1° |
| C22 | C23 | H28 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C15 | C3 | C14 | C4 | 123.3° | 120.0° |
| C15 | C3 | C4 | O16 | 13.8° | 174.6° |
| C15 | C3 | C4 | C5 | 103.8° | 65.4° |
| C15 | C3 | C4 | H2 | 132.5° | 54.6° |
| C3 | C15 | H3 | H4 | 120.0° | 119.9° |
| C3 | C15 | H3 | H5 | 120.0° | 120.0° |
| C3 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C3 | C2 | H6 | 57.2° | 180.0° |
| C15 | C3 | C2 | H7 | 62.4° | 60.0° |
| C15 | C3 | C14 | H8 | 66.6° | 63.2° |
| C15 | C3 | C14 | H9 | 53.5° | 176.8° |
| C15 | C3 | C14 | H10 | 173.4° | 56.9° |
| C14 | C3 | C4 | O16 | 135.5° | 54.7° |
| C14 | C3 | C4 | C5 | 17.9° | 174.6° |
| C14 | C3 | C4 | H2 | 105.8° | 65.3° |
| C14 | C3 | C15 | H3 | 62.8° | 67.0° |
| C14 | C3 | C15 | H4 | 177.1° | 173.0° |
| C14 | C3 | C15 | H5 | 57.2° | 53.0° |
| C14 | C3 | C2 | H6 | 174.2° | 60.0° |
| C14 | C3 | C2 | H7 | 54.6° | 180.0° |
| C3 | C14 | H8 | H9 | 120.0° | 120.0° |
| C3 | C14 | H8 | H10 | 120.0° | 120.0° |
| C3 | C14 | H9 | H10 | 120.0° | 119.9° |
| C3 | C4 | O16 | C5 | 125.0° | 120.0° |
| C3 | C4 | O16 | H2 | 117.5° | 120.0° |
| C3 | C4 | C5 | H2 | 123.6° | 120.0° |
| C3 | C4 | C5 | N6 | 83.8° | 73.9° |
| C3 | C4 | C5 | O17 | 82.1° | 106.1° |
| C4 | C3 | C15 | H3 | 59.0° | 53.0° |
| C4 | C3 | C15 | H4 | 61.1° | 67.0° |
| C4 | C3 | C15 | H5 | 178.9° | 173.0° |
| C4 | C3 | C2 | H6 | 64.0° | 60.0° |
| C4 | C3 | C2 | H7 | 176.4° | 60.0° |
| C4 | C3 | C14 | H8 | 56.8° | 176.8° |
| C4 | C3 | C14 | H9 | 176.8° | 56.8° |
| C4 | C3 | C14 | H10 | 63.2° | 63.1° |
| C3 | C4 | O16 | H11 | 109.1° | 60.0° |
| C21 | C20 | C19 | H22 | 118.8° | 120.0° |
| C20 | C21 | C22 | O25 | 168.3° | 180.0° |
| C21 | C20 | C19 | S13 | 136.0° | 180.0° |
| C21 | C20 | C19 | O24 | 46.1° | 0.0° |
| C21 | C20 | C26 | H23 | 180.0° | 180.0° |
| C21 | C20 | C26 | H24 | 60.0° | 60.0° |
| C21 | C20 | C26 | H25 | 60.0° | 60.0° |
| C20 | C21 | C22 | H26 | 170.3° | 60.0° |
| C20 | C21 | C22 | H27 | 68.5° | 60.0° |
| C19 | C20 | C21 | C22 | 145.8° | 150.0° |
| C20 | C19 | S13 | O24 | 177.8° | 180.0° |
| C20 | C19 | S13 | C12 | 168.8° | 180.0° |
| C19 | C20 | C21 | O25 | 46.1° | 30.0° |
| C19 | C20 | C26 | H23 | 57.2° | 60.0° |
| C19 | C20 | C26 | H24 | 177.2° | 180.0° |
| C19 | C20 | C26 | H25 | 62.8° | 60.0° |
| C22 | C21 | C20 | H22 | 26.9° | 30.1° |
| C21 | C22 | H26 | H27 | 121.8° | 120.0° |
| C21 | C22 | C23 | H28 | 180.0° | 180.0° |
| C21 | C22 | C23 | H29 | 60.0° | 60.0° |
| C21 | C22 | C23 | H30 | 60.0° | 60.0° |
| C19 | S13 | C12 | C11 | 73.5° | 180.0° |
| C19 | S13 | C12 | H20 | 166.8° | 60.0° |
| C19 | S13 | C12 | H21 | 46.1° | 60.0° |
| S13 | C19 | C20 | H22 | 105.2° | 60.0° |
| C12 | S13 | C19 | O24 | 9.1° | 0.0° |
| S13 | C12 | C11 | H20 | 119.6° | 120.0° |
| S13 | C12 | C11 | H21 | 119.7° | 120.0° |
| S13 | C12 | C11 | N10 | 127.9° | 180.0° |
| S13 | C12 | C11 | H18 | 112.4° | 60.0° |
| S13 | C12 | C11 | H19 | 8.3° | 60.0° |
| S13 | C12 | H20 | H21 | 121.1° | 120.0° |
| O25 | C21 | C20 | H22 | 165.0° | 150.0° |
| O25 | C21 | C22 | H26 | 1.9° | 120.0° |
| O25 | C21 | C22 | H27 | 123.1° | 120.0° |
| O16 | C4 | C5 | H2 | 118.5° | 120.0° |
| O16 | C4 | C5 | N6 | 158.3° | 166.1° |
| O16 | C4 | C5 | O17 | 35.9° | 13.9° |
| C4 | C5 | N6 | C7 | 57.7° | 175.0° |
| C4 | C5 | N6 | O17 | 165.7° | 180.0° |
| C5 | C4 | O16 | H11 | 15.9° | 60.0° |
| C4 | C5 | N6 | H12 | 122.3° | 5.0° |
| O24 | C19 | C20 | H22 | 72.7° | 120.0° |
| C12 | C11 | N10 | H18 | 119.7° | 120.0° |
| C12 | C11 | N10 | H19 | 119.6° | 120.0° |
| C12 | C11 | N10 | C9 | 49.6° | 180.0° |
| C12 | C11 | N10 | H17 | 130.4° | 0.0° |
| C12 | C11 | H18 | H19 | 121.0° | 120.0° |
| C11 | C12 | H20 | H21 | 121.0° | 120.0° |
| N6 | C7 | C8 | H13 | 119.7° | 120.0° |
| N6 | C7 | C8 | H14 | 119.7° | 120.0° |
| C7 | N6 | C5 | H12 | 180.0° | 180.0° |
| C7 | N6 | C5 | O17 | 136.6° | 4.9° |
| N6 | C7 | C8 | C9 | 171.3° | 180.0° |
| N6 | C7 | H13 | H14 | 120.8° | 120.0° |
| N6 | C7 | C8 | H15 | 67.7° | 60.0° |
| N6 | C7 | C8 | H16 | 50.2° | 60.0° |
| C8 | C7 | N6 | C5 | 76.8° | 180.0° |
| C7 | C8 | C9 | N10 | 115.9° | 180.0° |
| C7 | C8 | C9 | H15 | 121.1° | 120.0° |
| C7 | C8 | C9 | H16 | 121.1° | 120.0° |
| C7 | C8 | C9 | O18 | 83.7° | 0.0° |
| C8 | C7 | N6 | H12 | 103.2° | 0.0° |
| C8 | C7 | H13 | H14 | 120.9° | 120.0° |
| C7 | C8 | H15 | H16 | 116.7° | 120.1° |
| N6 | C5 | C4 | H2 | 39.8° | 46.1° |
| C5 | N6 | C7 | H13 | 163.5° | 60.0° |
| C5 | N6 | C7 | H14 | 42.9° | 60.0° |
| O17 | C5 | C4 | H2 | 154.3° | 133.9° |
| O17 | C5 | N6 | H12 | 43.4° | 175.1° |
| C11 | N10 | C9 | H17 | 180.0° | 180.0° |
| C11 | N10 | C9 | C8 | 165.1° | 180.0° |
| C11 | N10 | C9 | O18 | 3.4° | 0.0° |
| N10 | C11 | H18 | H19 | 121.1° | 120.0° |
| N10 | C11 | C12 | H20 | 8.3° | 60.0° |
| N10 | C11 | C12 | H21 | 112.4° | 60.0° |
| N10 | C9 | C8 | O18 | 160.4° | 180.0° |
| N10 | C9 | C8 | H15 | 5.2° | 60.0° |
| N10 | C9 | C8 | H16 | 123.1° | 60.0° |
| C9 | N10 | C11 | H18 | 70.1° | 60.0° |
| C9 | N10 | C11 | H19 | 169.2° | 60.0° |
| C9 | C8 | C7 | H13 | 51.5° | 60.0° |
| C9 | C8 | C7 | H14 | 69.0° | 60.0° |
| C9 | C8 | H15 | H16 | 116.7° | 120.0° |
| C8 | C9 | N10 | H17 | 14.8° | 0.0° |
| O18 | C9 | C8 | H15 | 155.2° | 120.0° |
| O18 | C9 | C8 | H16 | 37.3° | 120.0° |
| O18 | C9 | N10 | H17 | 176.6° | 180.0° |
| H1 | O1 | C2 | H6 | 59.8° | 60.0° |
| H1 | O1 | C2 | H7 | 59.8° | 59.9° |
| H2 | C4 | O16 | H11 | 133.3° | 180.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.1° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H12 | N6 | C7 | H13 | 16.6° | 120.0° |
| H12 | N6 | C7 | H14 | 137.1° | 120.0° |
| H13 | C7 | C8 | H15 | 172.6° | NaN° |
| H13 | C7 | C8 | H16 | 69.5° | 60.0° |
| H14 | C7 | C8 | H15 | 52.0° | 60.0° |
| H14 | C7 | C8 | H16 | 169.9° | 180.0° |
| H17 | N10 | C11 | H18 | 109.9° | 120.0° |
| H17 | N10 | C11 | H19 | 10.8° | 120.0° |
| H18 | C11 | C12 | H20 | 127.9° | 180.0° |
| H18 | C11 | C12 | H21 | 7.3° | 60.0° |
| H19 | C11 | C12 | H20 | 111.4° | 60.0° |
| H19 | C11 | C12 | H21 | 127.9° | 180.0° |
| H22 | C20 | C26 | H23 | 61.2° | 60.0° |
| H22 | C20 | C26 | H24 | 58.8° | 60.0° |
| H22 | C20 | C26 | H25 | 178.8° | 179.9° |
| H23 | C26 | H24 | H25 | 120.0° | 120.0° |
| H26 | C22 | C23 | H28 | 60.6° | 59.9° |
| H26 | C22 | C23 | H29 | 59.4° | 180.0° |
| H26 | C22 | C23 | H30 | 179.4° | 60.1° |
| H27 | C22 | C23 | H28 | 60.6° | 60.0° |
| H27 | C22 | C23 | H29 | 179.4° | 60.0° |
| H27 | C22 | C23 | H30 | 59.4° | 180.0° |
| H28 | C23 | H29 | H30 | 120.0° | 120.0° |
