D6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N20 | sing | 1.47Å | 1.46Å | |
| N20 | C22 | sing | 1.47Å | 1.45Å | |
| N20 | C19 | sing | 1.47Å | 1.44Å | |
| S10 | C11 | sing | 1.76Å | 1.81Å | |
| S10 | C09 | sing | 1.82Å | 1.79Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.38Å | |
| O02 | C01 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | N17 | sing | 1.46Å | 1.47Å | |
| C08 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N17 | sing | 1.40Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.35Å | Aromatic |
| N17 | C23 | sing | 1.34Å | 1.49Å | |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C09 | C25 | sing | 1.54Å | 1.55Å | |
| C23 | O24 | doub | 1.21Å | 1.20Å | |
| C23 | C25 | sing | 1.50Å | 1.54Å | |
| C25 | O26 | sing | 1.45Å | 1.41Å | |
| O26 | C27 | sing | 1.34Å | 1.40Å | |
| O29 | C27 | doub | 1.21Å | 1.18Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.08Å | 1.08Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C07 | H17 | sing | 1.08Å | 1.08Å | |
| C08 | H18 | sing | 1.08Å | 1.08Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N20 | C22 | 112.8° | 111.0° |
| C21 | N20 | C19 | 110.5° | 111.0° |
| N20 | C21 | H3 | 109.5° | 109.5° |
| N20 | C21 | H4 | 109.5° | 109.5° |
| N20 | C21 | H5 | 109.5° | 109.5° |
| C22 | N20 | C19 | 112.1° | 111.0° |
| N20 | C22 | H6 | 109.5° | 109.5° |
| N20 | C22 | H7 | 109.5° | 109.5° |
| N20 | C22 | H8 | 109.4° | 109.4° |
| N20 | C19 | C18 | 107.9° | 109.5° |
| N20 | C19 | H24 | 109.9° | 109.5° |
| N20 | C19 | H25 | 109.8° | 109.5° |
| C11 | S10 | C09 | 100.0° | 102.4° |
| S10 | C11 | C12 | 118.2° | 120.6° |
| S10 | C11 | C16 | 116.9° | 119.4° |
| S10 | C09 | C06 | 105.5° | 109.9° |
| S10 | C09 | C25 | 115.8° | 107.4° |
| S10 | C09 | H19 | 106.0° | 109.9° |
| C11 | C12 | C13 | 117.6° | 119.7° |
| C12 | C11 | C16 | 124.8° | 120.1° |
| C11 | C12 | H20 | 121.2° | 120.2° |
| C12 | C13 | C14 | 120.3° | 120.2° |
| C12 | C13 | H1 | 119.9° | 119.9° |
| C13 | C12 | H20 | 121.2° | 120.1° |
| C11 | C16 | N17 | 121.6° | 119.5° |
| C11 | C16 | C15 | 115.7° | 119.9° |
| C03 | O02 | C01 | 110.6° | 116.9° |
| O02 | C03 | C08 | 117.2° | 120.1° |
| O02 | C03 | C04 | 122.2° | 120.0° |
| O02 | C01 | H12 | 109.5° | 109.5° |
| O02 | C01 | H13 | 109.4° | 109.5° |
| O02 | C01 | H14 | 109.5° | 109.5° |
| C19 | C18 | N17 | 120.5° | 109.5° |
| C19 | C18 | H22 | 106.6° | 109.5° |
| C19 | C18 | H23 | 106.6° | 109.5° |
| C18 | C19 | H24 | 109.9° | 109.5° |
| C18 | C19 | H25 | 109.9° | 109.5° |
| C18 | N17 | C16 | 107.7° | 120.1° |
| C18 | N17 | C23 | 122.8° | 120.1° |
| N17 | C18 | H22 | 106.7° | 109.5° |
| N17 | C18 | H23 | 106.7° | 109.5° |
| C03 | C08 | C07 | 120.7° | 120.0° |
| C08 | C03 | C04 | 120.5° | 119.9° |
| C03 | C08 | H18 | 119.7° | 120.0° |
| C08 | C07 | C06 | 118.0° | 120.0° |
| C08 | C07 | H17 | 121.0° | 120.0° |
| C07 | C08 | H18 | 119.7° | 120.0° |
| C03 | C04 | C05 | 119.2° | 119.9° |
| C03 | C04 | H15 | 120.4° | 120.0° |
| C13 | C14 | C15 | 120.3° | 120.3° |
| C14 | C13 | H1 | 119.8° | 119.9° |
| C13 | C14 | H21 | 119.8° | 119.9° |
| C07 | C06 | C05 | 120.0° | 120.1° |
| C07 | C06 | C09 | 120.7° | 119.9° |
| C06 | C07 | H17 | 121.0° | 120.0° |
| N17 | C16 | C15 | 122.7° | 120.5° |
| C16 | N17 | C23 | 129.5° | 119.9° |
| C16 | C15 | C14 | 121.2° | 119.7° |
| C16 | C15 | H2 | 119.4° | 120.1° |
| C04 | C05 | C06 | 121.4° | 120.1° |
| C05 | C04 | H15 | 120.4° | 120.0° |
| C04 | C05 | H16 | 119.3° | 120.0° |
| N17 | C23 | O24 | 124.2° | 119.4° |
| N17 | C23 | C25 | 122.5° | 121.0° |
| C05 | C06 | C09 | 119.3° | 120.0° |
| C06 | C05 | H16 | 119.3° | 120.0° |
| C06 | C09 | C25 | 111.8° | 109.9° |
| C06 | C09 | H19 | 108.9° | 109.9° |
| C14 | C15 | H2 | 119.4° | 120.1° |
| C15 | C14 | H21 | 119.9° | 119.8° |
| C09 | C25 | C23 | 118.8° | 110.5° |
| C09 | C25 | O26 | 106.5° | 109.3° |
| C25 | C09 | H19 | 108.6° | 109.8° |
| C09 | C25 | H27 | 106.4° | 109.2° |
| O24 | C23 | C25 | 113.3° | 119.5° |
| C23 | C25 | O26 | 110.1° | 109.3° |
| C23 | C25 | H27 | 106.6° | 109.3° |
| C25 | O26 | C27 | 116.4° | 117.0° |
| O26 | C25 | H27 | 108.1° | 109.2° |
| O26 | C27 | O29 | 120.7° | 120.0° |
| O26 | C27 | C28 | 119.4° | 120.0° |
| O29 | C27 | C28 | 119.8° | 120.0° |
| C27 | C28 | H9 | 109.5° | 109.5° |
| C27 | C28 | H10 | 109.5° | 109.5° |
| C27 | C28 | H11 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.4° | 109.5° |
| H3 | C21 | H5 | 109.5° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H6 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C28 | H10 | 109.4° | 109.5° |
| H9 | C28 | H11 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | N20 | C22 | C19 | 125.5° | 124.0° |
| C21 | N20 | C19 | C18 | 71.1° | 170.0° |
| N20 | C21 | H3 | H4 | 120.0° | 120.1° |
| N20 | C21 | H3 | H5 | 120.0° | 120.0° |
| N20 | C21 | H4 | H5 | 120.0° | 120.0° |
| C21 | N20 | C22 | H6 | 180.0° | 60.0° |
| C21 | N20 | C22 | H7 | 60.0° | 180.0° |
| C21 | N20 | C22 | H8 | 60.0° | 60.0° |
| C21 | N20 | C19 | H24 | 169.1° | 50.0° |
| C21 | N20 | C19 | H25 | 48.7° | 70.0° |
| C22 | N20 | C19 | C18 | 162.2° | 66.0° |
| C22 | N20 | C21 | H3 | 180.0° | 56.0° |
| C22 | N20 | C21 | H4 | 60.0° | 176.1° |
| C22 | N20 | C21 | H5 | 60.0° | 63.9° |
| N20 | C22 | H6 | H7 | 120.0° | 120.0° |
| N20 | C22 | H6 | H8 | 120.0° | 120.0° |
| N20 | C22 | H7 | H8 | 120.0° | 120.0° |
| C22 | N20 | C19 | H24 | 42.4° | 173.9° |
| C22 | N20 | C19 | H25 | 78.1° | 54.0° |
| N20 | C19 | C18 | H24 | 119.8° | 120.0° |
| N20 | C19 | C18 | H25 | 119.7° | 120.0° |
| N20 | C19 | C18 | N17 | 90.2° | 180.0° |
| C19 | N20 | C21 | H3 | 53.6° | 180.0° |
| C19 | N20 | C21 | H4 | 66.3° | 60.0° |
| C19 | N20 | C21 | H5 | 173.6° | 60.0° |
| C19 | N20 | C22 | H6 | 54.5° | 64.0° |
| C19 | N20 | C22 | H7 | 174.5° | 56.0° |
| C19 | N20 | C22 | H8 | 65.5° | 176.1° |
| N20 | C19 | C18 | H22 | 148.3° | 59.9° |
| N20 | C19 | C18 | H23 | 31.4° | 60.0° |
| N20 | C19 | H24 | H25 | 120.7° | 120.0° |
| S10 | C11 | C12 | C16 | 176.5° | 179.3° |
| S10 | C11 | C12 | C13 | 177.6° | 180.0° |
| S10 | C11 | C16 | N17 | 2.7° | 0.6° |
| S10 | C11 | C16 | C15 | 178.2° | 179.5° |
| C11 | S10 | C09 | C06 | 160.6° | 160.8° |
| C11 | S10 | C09 | C25 | 75.2° | 41.3° |
| C11 | S10 | C09 | H19 | 45.2° | 78.1° |
| S10 | C11 | C12 | H20 | 2.4° | 0.1° |
| C09 | S10 | C11 | C12 | 105.7° | 106.5° |
| C09 | S10 | C11 | C16 | 71.0° | 72.8° |
| S10 | C09 | C06 | C07 | 92.2° | 46.9° |
| S10 | C09 | C06 | C05 | 90.0° | 133.0° |
| S10 | C09 | C06 | C25 | 126.6° | 118.0° |
| S10 | C09 | C06 | H19 | 113.4° | 121.1° |
| S10 | C09 | C25 | H19 | 119.1° | 119.5° |
| S10 | C09 | C25 | C23 | 4.9° | 42.0° |
| S10 | C09 | C25 | O26 | 129.7° | 78.3° |
| S10 | C09 | C25 | H27 | 115.2° | 162.3° |
| C11 | C12 | C13 | H20 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.0° | 0.1° |
| C12 | C11 | C16 | N17 | 179.2° | 178.6° |
| C12 | C11 | C16 | C15 | 1.7° | 1.2° |
| C11 | C12 | C13 | H1 | 179.0° | 179.8° |
| C13 | C12 | C11 | C16 | 1.1° | 0.7° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 1.5° | 0.4° |
| C12 | C13 | C14 | H21 | 178.5° | 179.5° |
| C11 | C16 | N17 | C18 | 128.5° | 129.5° |
| C11 | C16 | N17 | C15 | 179.1° | 179.8° |
| C11 | C16 | N17 | C23 | 50.7° | 50.5° |
| C11 | C16 | C15 | C14 | 2.1° | 0.9° |
| C11 | C16 | C15 | H2 | 177.9° | 179.2° |
| C16 | C11 | C12 | H20 | 178.9° | 179.2° |
| O02 | C03 | C08 | C04 | 176.4° | 179.7° |
| O02 | C03 | C08 | C07 | 174.5° | 179.7° |
| O02 | C03 | C04 | C05 | 177.4° | 180.0° |
| C03 | O02 | C01 | H12 | 180.0° | 180.0° |
| C03 | O02 | C01 | H13 | 60.0° | 60.0° |
| C03 | O02 | C01 | H14 | 60.0° | 60.0° |
| O02 | C03 | C04 | H15 | 2.6° | 0.0° |
| O02 | C03 | C08 | H18 | 5.5° | 0.0° |
| C01 | O02 | C03 | C08 | 134.0° | 0.3° |
| C01 | O02 | C03 | C04 | 42.4° | 180.0° |
| O02 | C01 | H12 | H13 | 120.0° | 120.0° |
| O02 | C01 | H12 | H14 | 120.0° | 120.0° |
| O02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C19 | C18 | N17 | H22 | 121.5° | 120.0° |
| C19 | C18 | N17 | H23 | 121.6° | 120.0° |
| C19 | C18 | N17 | C16 | 161.7° | 90.0° |
| C19 | C18 | N17 | C23 | 19.0° | 90.0° |
| C19 | C18 | H22 | H23 | 115.0° | 120.0° |
| C18 | C19 | H24 | H25 | 120.7° | 120.0° |
| C18 | N17 | C16 | C23 | 179.2° | 180.0° |
| C18 | N17 | C16 | C15 | 50.6° | 50.7° |
| C18 | N17 | C23 | O24 | 2.0° | 10.7° |
| C18 | N17 | C23 | C25 | 180.0° | 169.3° |
| N17 | C18 | H22 | H23 | 115.0° | 120.0° |
| N17 | C18 | C19 | H24 | 29.6° | 60.0° |
| N17 | C18 | C19 | H25 | 150.1° | 60.0° |
| C03 | C08 | C07 | H18 | 180.0° | 179.7° |
| C03 | C08 | C07 | C06 | 4.5° | 0.6° |
| C08 | C03 | C04 | C05 | 1.1° | 0.3° |
| C08 | C03 | C04 | H15 | 178.8° | 179.7° |
| C03 | C08 | C07 | H17 | 175.6° | 179.7° |
| C07 | C08 | C03 | C04 | 1.9° | 0.6° |
| C08 | C07 | C06 | H17 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 4.0° | 0.3° |
| C08 | C07 | C06 | C09 | 178.2° | 179.7° |
| C03 | C04 | C05 | H15 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.6° | 0.1° |
| C03 | C04 | C05 | H16 | 178.4° | 180.0° |
| C04 | C03 | C08 | H18 | 178.1° | 179.7° |
| C13 | C14 | C15 | C16 | 2.1° | 0.1° |
| C13 | C14 | C15 | H21 | 180.0° | 179.9° |
| C13 | C14 | C15 | H2 | 177.9° | 180.0° |
| C14 | C13 | C12 | H20 | 179.1° | 180.0° |
| C07 | C06 | C05 | C04 | 1.1° | 0.1° |
| C07 | C06 | C05 | C09 | 177.8° | 179.9° |
| C07 | C06 | C09 | C25 | 34.5° | 71.1° |
| C07 | C06 | C05 | H16 | 178.9° | 180.0° |
| C06 | C07 | C08 | H18 | 175.5° | 179.7° |
| C07 | C06 | C09 | H19 | 154.4° | 168.0° |
| N17 | C16 | C15 | C14 | 178.8° | 178.9° |
| C16 | N17 | C23 | O24 | 178.9° | 169.3° |
| C16 | N17 | C23 | C25 | 0.9° | 10.7° |
| N17 | C16 | C15 | H2 | 1.2° | 1.0° |
| C16 | N17 | C18 | H22 | 40.2° | 150.0° |
| C16 | N17 | C18 | H23 | 76.7° | 30.0° |
| C15 | C16 | N17 | C23 | 130.3° | 129.3° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C16 | C15 | C14 | H21 | 177.9° | 180.0° |
| C04 | C05 | C06 | H16 | 180.0° | 179.9° |
| C04 | C05 | C06 | C09 | 178.9° | 180.0° |
| N17 | C23 | C25 | C09 | 45.0° | 91.0° |
| N17 | C23 | O24 | C25 | 178.2° | 179.9° |
| N17 | C23 | C25 | O26 | 78.1° | 29.3° |
| C23 | N17 | C18 | H22 | 140.6° | 30.0° |
| C23 | N17 | C18 | H23 | 102.5° | 150.0° |
| N17 | C23 | C25 | H27 | 165.0° | 148.8° |
| C05 | C06 | C09 | C25 | 143.3° | 109.0° |
| C06 | C05 | C04 | H15 | 178.4° | 180.0° |
| C05 | C06 | C07 | H17 | 176.0° | 179.9° |
| C05 | C06 | C09 | H19 | 23.4° | 12.0° |
| C06 | C09 | C25 | H19 | 120.1° | 121.0° |
| C06 | C09 | C25 | C23 | 125.7° | 77.5° |
| C06 | C09 | C25 | O26 | 109.5° | 162.2° |
| C09 | C06 | C05 | H16 | 1.1° | 0.1° |
| C09 | C06 | C07 | H17 | 1.8° | 0.0° |
| C06 | C09 | C25 | H27 | 5.6° | 42.8° |
| C15 | C14 | C13 | H1 | 178.5° | 179.9° |
| C09 | C25 | C23 | O24 | 136.8° | 89.0° |
| C09 | C25 | C23 | O26 | 123.1° | 120.3° |
| C09 | C25 | C23 | H27 | 120.0° | 120.2° |
| C09 | C25 | O26 | H27 | 114.0° | 119.4° |
| C09 | C25 | O26 | C27 | 175.7° | 150.0° |
| O24 | C23 | C25 | O26 | 100.1° | 150.7° |
| O24 | C23 | C25 | H27 | 16.8° | 31.2° |
| C23 | C25 | O26 | H27 | 116.0° | 119.5° |
| C23 | C25 | O26 | C27 | 54.3° | 89.0° |
| C23 | C25 | C09 | H19 | 114.2° | 161.6° |
| C25 | O26 | C27 | O29 | 24.7° | 0.0° |
| C25 | O26 | C27 | C28 | 154.6° | 180.0° |
| O26 | C25 | C09 | H19 | 10.6° | 41.3° |
| O26 | C27 | O29 | C28 | 179.2° | 180.0° |
| O26 | C27 | C28 | H9 | 179.2° | 90.0° |
| O26 | C27 | C28 | H10 | 59.2° | 150.0° |
| O26 | C27 | C28 | H11 | 60.8° | 30.0° |
| C27 | O26 | C25 | H27 | 61.7° | 30.5° |
| O29 | C27 | C28 | H9 | 0.0° | 90.0° |
| O29 | C27 | C28 | H10 | 120.0° | 30.0° |
| O29 | C27 | C28 | H11 | 120.0° | 150.0° |
| C27 | C28 | H9 | H10 | 120.0° | 120.0° |
| C27 | C28 | H9 | H11 | 120.0° | 120.0° |
| C27 | C28 | H10 | H11 | 120.0° | 120.0° |
| H1 | C13 | C12 | H20 | 1.0° | 0.4° |
| H1 | C13 | C14 | H21 | 1.5° | 0.1° |
| H2 | C15 | C14 | H21 | 2.1° | 0.0° |
| H3 | C21 | H4 | H5 | 120.0° | 119.9° |
| H6 | C22 | H7 | H8 | 120.0° | 120.0° |
| H9 | C28 | H10 | H11 | 120.0° | 119.9° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H15 | C04 | C05 | H16 | 1.6° | 0.0° |
| H17 | C07 | C08 | H18 | 4.5° | 0.0° |
| H19 | C09 | C25 | H27 | 125.7° | 78.2° |
| H22 | C18 | C19 | H24 | 92.0° | 180.0° |
| H22 | C18 | C19 | H25 | 28.5° | 60.0° |
| H23 | C18 | C19 | H24 | 151.1° | 60.0° |
| H23 | C18 | C19 | H25 | 88.4° | 180.0° |
