S8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | O17 | sing | 1.43Å | 1.45Å | |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| O17 | C18 | sing | 1.36Å | 1.41Å | |
| C26 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | N14 | sing | 1.47Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.40Å | 1.45Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.55Å | |
| C19 | C23 | doub | 1.41Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.46Å | 1.48Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.44Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | O05 | sing | 1.45Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C23 | N22 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | C21 | doub | 1.34Å | 1.44Å | Aromatic |
| O07 | C06 | doub | 1.22Å | 1.24Å | |
| O05 | C06 | sing | 1.35Å | 1.39Å | |
| C21 | N22 | sing | 1.37Å | 1.43Å | Aromatic |
| N22 | S27 | sing | 1.66Å | 1.80Å | |
| C06 | N08 | sing | 1.35Å | 1.48Å | |
| O29 | S27 | doub | 1.42Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C36 | sing | 1.53Å | 1.59Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| S27 | O28 | doub | 1.42Å | 1.44Å | |
| S27 | C30 | sing | 1.76Å | 1.90Å | |
| C36 | N08 | sing | 1.47Å | 1.54Å | |
| N08 | C09 | sing | 1.47Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.58Å | |
| C35 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| N14 | H35 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | C15 | 109.0° | 109.4° |
| C16 | O17 | C18 | 120.3° | 117.0° |
| O17 | C16 | H25 | 109.6° | 109.4° |
| O17 | C16 | H26 | 109.6° | 109.5° |
| C16 | C15 | N14 | 111.6° | 109.5° |
| C16 | C15 | H5 | 109.0° | 109.4° |
| C16 | C15 | H6 | 109.0° | 109.5° |
| C15 | C16 | H25 | 109.6° | 109.4° |
| C15 | C16 | H26 | 109.6° | 109.5° |
| O17 | C18 | C26 | 119.9° | 120.3° |
| O17 | C18 | C19 | 121.5° | 120.2° |
| C18 | C26 | C25 | 120.5° | 120.3° |
| C26 | C18 | C19 | 118.6° | 119.5° |
| C18 | C26 | H10 | 119.7° | 119.8° |
| C26 | C25 | C24 | 121.2° | 120.7° |
| C25 | C26 | H10 | 119.8° | 119.9° |
| C26 | C25 | H27 | 119.4° | 119.6° |
| C15 | N14 | C13 | 112.5° | 111.0° |
| N14 | C15 | H5 | 108.9° | 109.4° |
| N14 | C15 | H6 | 108.9° | 109.5° |
| C15 | N14 | H35 | 108.7° | 111.0° |
| C03 | C02 | C01 | 111.5° | 109.4° |
| C03 | C02 | C04 | 111.3° | 109.5° |
| C03 | C02 | O05 | 112.1° | 109.4° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C18 | C19 | C23 | 120.6° | 119.9° |
| C18 | C19 | C20 | 133.5° | 134.0° |
| C25 | C24 | C23 | 118.4° | 120.0° |
| C25 | C24 | H9 | 120.8° | 120.0° |
| C24 | C25 | H27 | 119.4° | 119.7° |
| N14 | C13 | C12 | 111.7° | 109.5° |
| N14 | C13 | H3 | 108.9° | 109.5° |
| N14 | C13 | H4 | 108.9° | 109.5° |
| C13 | N14 | H35 | 108.7° | 111.0° |
| C23 | C19 | C20 | 105.8° | 106.1° |
| C19 | C23 | C24 | 120.6° | 119.5° |
| C19 | C23 | N22 | 111.4° | 107.2° |
| C19 | C20 | C21 | 106.9° | 107.0° |
| C19 | C20 | H7 | 126.6° | 126.5° |
| C24 | C23 | N22 | 128.1° | 133.4° |
| C23 | C24 | H9 | 120.8° | 120.0° |
| C01 | C02 | C04 | 108.7° | 109.5° |
| C01 | C02 | O05 | 107.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C04 | C02 | O05 | 105.4° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.4° |
| C02 | C04 | H18 | 109.5° | 109.5° |
| C02 | C04 | H19 | 109.5° | 109.5° |
| C02 | O05 | C06 | 123.9° | 117.0° |
| C13 | C12 | C11 | 106.2° | 109.5° |
| C13 | C12 | C36 | 109.9° | 109.5° |
| C12 | C13 | H3 | 108.9° | 109.4° |
| C12 | C13 | H4 | 108.9° | 109.5° |
| C13 | C12 | H24 | 109.3° | 109.6° |
| C23 | N22 | C21 | 105.9° | 109.9° |
| C23 | N22 | S27 | 132.5° | 125.1° |
| C20 | C21 | N22 | 110.0° | 109.8° |
| C21 | C20 | H7 | 126.5° | 126.5° |
| C20 | C21 | H8 | 125.0° | 125.1° |
| O07 | C06 | O05 | 118.1° | 120.0° |
| O07 | C06 | N08 | 117.8° | 120.0° |
| O05 | C06 | N08 | 124.1° | 120.0° |
| C21 | N22 | S27 | 121.6° | 125.0° |
| N22 | C21 | H8 | 125.0° | 125.1° |
| N22 | S27 | O29 | 105.6° | 106.4° |
| N22 | S27 | O28 | 107.9° | 106.4° |
| N22 | S27 | C30 | 110.0° | 107.2° |
| C06 | N08 | C36 | 116.6° | 120.6° |
| C06 | N08 | C09 | 119.5° | 120.6° |
| O29 | S27 | O28 | 107.1° | 123.2° |
| O29 | S27 | C30 | 112.2° | 106.4° |
| C11 | C12 | C36 | 112.7° | 109.3° |
| C12 | C11 | C10 | 112.6° | 109.5° |
| C12 | C11 | H22 | 108.7° | 109.4° |
| C12 | C11 | H23 | 108.7° | 109.5° |
| C11 | C12 | H24 | 109.7° | 109.5° |
| C12 | C36 | N08 | 113.5° | 108.8° |
| C36 | C12 | H24 | 108.9° | 109.5° |
| C12 | C36 | H33 | 108.4° | 109.6° |
| C12 | C36 | H34 | 108.4° | 109.5° |
| C11 | C10 | C09 | 113.8° | 109.3° |
| C11 | C10 | H1 | 108.4° | 109.5° |
| C11 | C10 | H2 | 108.4° | 109.5° |
| C10 | C11 | H22 | 108.7° | 109.5° |
| C10 | C11 | H23 | 108.7° | 109.5° |
| O28 | S27 | C30 | 113.6° | 106.4° |
| S27 | C30 | C35 | 123.0° | 120.0° |
| S27 | C30 | C31 | 122.1° | 120.0° |
| C36 | N08 | C09 | 111.2° | 118.8° |
| N08 | C36 | H33 | 108.5° | 109.6° |
| N08 | C36 | H34 | 108.5° | 109.6° |
| N08 | C09 | C10 | 114.4° | 108.8° |
| N08 | C09 | H20 | 108.2° | 109.6° |
| N08 | C09 | H21 | 108.2° | 109.8° |
| C09 | C10 | H1 | 108.4° | 109.5° |
| C09 | C10 | H2 | 108.4° | 109.5° |
| C10 | C09 | H20 | 108.2° | 109.6° |
| C10 | C09 | H21 | 108.3° | 109.6° |
| C30 | C35 | C34 | 123.5° | 120.0° |
| C35 | C30 | C31 | 114.9° | 120.0° |
| C30 | C35 | H32 | 118.3° | 119.9° |
| C35 | C34 | C33 | 119.6° | 120.0° |
| C35 | C34 | H31 | 120.2° | 120.0° |
| C34 | C35 | H32 | 118.3° | 120.0° |
| C30 | C31 | C32 | 123.0° | 120.0° |
| C30 | C31 | H28 | 118.5° | 120.0° |
| C34 | C33 | C32 | 118.8° | 120.0° |
| C34 | C33 | H30 | 120.6° | 120.0° |
| C33 | C34 | H31 | 120.2° | 120.0° |
| C31 | C32 | C33 | 120.2° | 119.9° |
| C32 | C31 | H28 | 118.5° | 120.0° |
| C31 | C32 | H29 | 119.9° | 120.0° |
| C33 | C32 | H29 | 119.9° | 120.0° |
| C32 | C33 | H30 | 120.6° | 120.0° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H14 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.4° | 109.5° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H17 | C04 | H19 | 109.5° | 109.5° |
| H18 | C04 | H19 | 109.4° | 109.5° |
| H20 | C09 | H21 | 109.4° | 109.6° |
| H22 | C11 | H23 | 109.4° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | C15 | H25 | 119.9° | 119.9° |
| O17 | C16 | C15 | H26 | 119.9° | 120.0° |
| C16 | O17 | C18 | C26 | 49.6° | 0.1° |
| O17 | C16 | C15 | N14 | 45.2° | 65.1° |
| C16 | O17 | C18 | C19 | 132.0° | 179.9° |
| O17 | C16 | C15 | H5 | 75.1° | 175.0° |
| O17 | C16 | C15 | H6 | 165.6° | 55.0° |
| O17 | C16 | H25 | H26 | 120.2° | 120.0° |
| C15 | C16 | O17 | C18 | 136.9° | 180.0° |
| C16 | C15 | N14 | H5 | 120.3° | 119.9° |
| C16 | C15 | N14 | H6 | 120.4° | 120.1° |
| C16 | C15 | N14 | C13 | 178.0° | 180.0° |
| C16 | C15 | H5 | H6 | 119.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.2° | 120.0° |
| C16 | C15 | N14 | H35 | 57.6° | 56.1° |
| O17 | C18 | C26 | C19 | 178.5° | 180.0° |
| O17 | C18 | C26 | C25 | 179.1° | 180.0° |
| O17 | C18 | C19 | C23 | 179.1° | 180.0° |
| O17 | C18 | C19 | C20 | 1.2° | 0.0° |
| O17 | C18 | C26 | H10 | 0.9° | 0.0° |
| C18 | O17 | C16 | H25 | 103.2° | 60.1° |
| C18 | O17 | C16 | H26 | 17.0° | 60.0° |
| C18 | C26 | C25 | H10 | 180.0° | 180.0° |
| C18 | C26 | C25 | C24 | 0.3° | 0.0° |
| C26 | C18 | C19 | C23 | 0.6° | 0.0° |
| C26 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C26 | C25 | H27 | 179.7° | 179.9° |
| C25 | C26 | C18 | C19 | 0.6° | 0.0° |
| C26 | C25 | C24 | H27 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H9 | 179.9° | 180.0° |
| C15 | N14 | C13 | H35 | 120.4° | 123.9° |
| C15 | N14 | C13 | C12 | 130.3° | 180.0° |
| C15 | N14 | C13 | H3 | 109.3° | 60.0° |
| C15 | N14 | C13 | H4 | 10.0° | 60.0° |
| N14 | C15 | H5 | H6 | 119.0° | 120.0° |
| N14 | C15 | C16 | H25 | 165.2° | 175.0° |
| N14 | C15 | C16 | H26 | 74.7° | 55.0° |
| C03 | C02 | C01 | C04 | 123.1° | 120.0° |
| C03 | C02 | C01 | O05 | 123.2° | 120.0° |
| C03 | C02 | C04 | O05 | 121.7° | 120.0° |
| C03 | C02 | O05 | C06 | 47.8° | 60.0° |
| C03 | C02 | C01 | H11 | 180.0° | 60.0° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 180.0° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | C04 | H17 | 180.0° | 180.0° |
| C03 | C02 | C04 | H18 | 60.0° | 60.0° |
| C03 | C02 | C04 | H19 | 60.0° | 60.0° |
| C18 | C19 | C23 | C20 | 179.8° | 180.0° |
| C18 | C19 | C23 | C24 | 0.3° | 0.0° |
| C18 | C19 | C23 | N22 | 179.3° | 179.8° |
| C18 | C19 | C20 | C21 | 179.7° | 180.0° |
| C18 | C19 | C20 | H7 | 0.3° | 0.2° |
| C19 | C18 | C26 | H10 | 179.4° | 180.0° |
| C25 | C24 | C23 | C19 | 0.1° | 0.0° |
| C25 | C24 | C23 | H9 | 180.0° | 180.0° |
| C25 | C24 | C23 | N22 | 179.5° | 179.7° |
| C24 | C25 | C26 | H10 | 179.6° | 180.0° |
| N14 | C13 | C12 | H3 | 120.3° | 120.0° |
| N14 | C13 | C12 | H4 | 120.4° | 120.0° |
| N14 | C13 | C12 | C11 | 175.4° | 175.0° |
| N14 | C13 | C12 | C36 | 53.1° | 65.2° |
| N14 | C13 | H3 | H4 | 119.0° | 120.0° |
| C13 | N14 | C15 | H5 | 61.6° | 60.0° |
| C13 | N14 | C15 | H6 | 57.7° | 60.0° |
| N14 | C13 | C12 | H24 | 66.4° | 54.9° |
| C19 | C23 | C24 | N22 | 179.6° | 179.7° |
| C23 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C23 | N22 | C21 | 0.7° | 0.4° |
| C19 | C23 | N22 | S27 | 179.7° | 180.0° |
| C23 | C19 | C20 | H7 | 180.0° | 179.8° |
| C19 | C23 | C24 | H9 | 179.9° | 180.0° |
| C20 | C19 | C23 | C24 | 179.9° | 180.0° |
| C20 | C19 | C23 | N22 | 0.4° | 0.2° |
| C19 | C20 | C21 | H7 | 180.0° | 179.8° |
| C19 | C20 | C21 | N22 | 0.4° | 0.2° |
| C19 | C20 | C21 | H8 | 179.6° | 179.8° |
| C24 | C23 | N22 | C21 | 179.7° | 179.9° |
| C24 | C23 | N22 | S27 | 0.6° | 0.2° |
| C23 | C24 | C25 | H27 | 179.9° | 180.0° |
| C01 | C02 | C04 | O05 | 115.0° | 120.1° |
| C01 | C02 | O05 | C06 | 75.1° | 59.9° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 119.9° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 180.0° | 60.0° |
| C01 | C02 | C03 | H15 | 60.0° | 180.0° |
| C01 | C02 | C03 | H16 | 60.0° | 60.0° |
| C01 | C02 | C04 | H17 | 56.8° | 60.0° |
| C01 | C02 | C04 | H18 | 63.3° | 180.0° |
| C01 | C02 | C04 | H19 | 176.8° | 60.0° |
| C04 | C02 | O05 | C06 | 169.0° | 180.0° |
| C04 | C02 | C01 | H11 | 56.9° | 60.0° |
| C04 | C02 | C01 | H12 | 176.9° | 180.0° |
| C04 | C02 | C01 | H13 | 63.1° | 60.0° |
| C04 | C02 | C03 | H14 | 58.4° | 60.0° |
| C04 | C02 | C03 | H15 | 61.7° | 60.0° |
| C04 | C02 | C03 | H16 | 178.4° | 180.0° |
| C02 | C04 | H17 | H18 | 120.0° | 120.0° |
| C02 | C04 | H17 | H19 | 120.0° | 120.0° |
| C02 | C04 | H18 | H19 | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 15.3° | 0.1° |
| C02 | O05 | C06 | N08 | 164.8° | 180.0° |
| O05 | C02 | C01 | H11 | 56.8° | 180.0° |
| O05 | C02 | C01 | H12 | 63.2° | 60.0° |
| O05 | C02 | C01 | H13 | 176.8° | 60.0° |
| O05 | C02 | C03 | H14 | 59.4° | 180.0° |
| O05 | C02 | C03 | H15 | 179.4° | 60.0° |
| O05 | C02 | C03 | H16 | 60.6° | 60.0° |
| O05 | C02 | C04 | H17 | 58.3° | 60.0° |
| O05 | C02 | C04 | H18 | 178.3° | 60.0° |
| O05 | C02 | C04 | H19 | 61.7° | 180.0° |
| C13 | C12 | C11 | C36 | 120.4° | 119.9° |
| C13 | C12 | C11 | H24 | 118.0° | 120.1° |
| C13 | C12 | C36 | H24 | 119.8° | 120.2° |
| C13 | C12 | C11 | C10 | 130.3° | 178.7° |
| C13 | C12 | C36 | N08 | 73.5° | 174.5° |
| C12 | C13 | H3 | H4 | 119.0° | 120.0° |
| C13 | C12 | C11 | H22 | 9.8° | 58.7° |
| C13 | C12 | C11 | H23 | 109.2° | 61.3° |
| C13 | C12 | C36 | H33 | 165.9° | 65.6° |
| C13 | C12 | C36 | H34 | 47.1° | 54.8° |
| C12 | C13 | N14 | H35 | 9.9° | 56.1° |
| C23 | N22 | C21 | C20 | 0.7° | 0.4° |
| C23 | N22 | C21 | S27 | 179.2° | 179.6° |
| C23 | N22 | S27 | O29 | 47.1° | 49.0° |
| C23 | N22 | S27 | O28 | 161.4° | 178.1° |
| C23 | N22 | S27 | C30 | 74.2° | 64.6° |
| C23 | N22 | C21 | H8 | 179.3° | 179.6° |
| N22 | C23 | C24 | H9 | 0.5° | 0.3° |
| C20 | C21 | N22 | H8 | 180.0° | 180.0° |
| C20 | C21 | N22 | S27 | 179.9° | 180.0° |
| O07 | C06 | O05 | N08 | 179.9° | 179.9° |
| O07 | C06 | N08 | C36 | 12.9° | 0.0° |
| O07 | C06 | N08 | C09 | 151.3° | 179.9° |
| O05 | C06 | N08 | C36 | 167.3° | 180.0° |
| O05 | C06 | N08 | C09 | 28.8° | 0.0° |
| C21 | N22 | S27 | O29 | 131.8° | 131.4° |
| C21 | N22 | S27 | O28 | 17.6° | 1.5° |
| C21 | N22 | S27 | C30 | 106.9° | 115.0° |
| N22 | C21 | C20 | H7 | 179.6° | 180.0° |
| N22 | S27 | O29 | O28 | 114.9° | 122.9° |
| N22 | S27 | O29 | C30 | 119.9° | 114.1° |
| N22 | S27 | O28 | C30 | 122.3° | 114.1° |
| N22 | S27 | C30 | C35 | 76.2° | 90.3° |
| N22 | S27 | C30 | C31 | 104.5° | 90.0° |
| S27 | N22 | C21 | H8 | 0.2° | 0.0° |
| C06 | N08 | C36 | C12 | 86.4° | 126.4° |
| C06 | N08 | C36 | C09 | 141.7° | 180.0° |
| C06 | N08 | C09 | C10 | 129.0° | 126.4° |
| C06 | N08 | C09 | H20 | 110.3° | 113.8° |
| C06 | N08 | C09 | H21 | 8.2° | 6.6° |
| C06 | N08 | C36 | H33 | 153.1° | 6.6° |
| C06 | N08 | C36 | H34 | 34.2° | 113.9° |
| O29 | S27 | O28 | C30 | 124.4° | 123.0° |
| O29 | S27 | C30 | C35 | 41.0° | 156.2° |
| O29 | S27 | C30 | C31 | 138.2° | 23.6° |
| C11 | C12 | C36 | H24 | 121.9° | 119.9° |
| C12 | C11 | C10 | H22 | 120.5° | 120.0° |
| C12 | C11 | C10 | H23 | 120.5° | 120.0° |
| C11 | C12 | C36 | N08 | 44.8° | 54.6° |
| C12 | C11 | C10 | C09 | 53.6° | 61.4° |
| C12 | C11 | C10 | H1 | 174.3° | 58.6° |
| C12 | C11 | C10 | H2 | 67.1° | 178.6° |
| C11 | C12 | C13 | H3 | 55.0° | 55.0° |
| C11 | C12 | C13 | H4 | 64.3° | 65.0° |
| C12 | C11 | H22 | H23 | 118.6° | 120.0° |
| C11 | C12 | C36 | H33 | 75.8° | 174.5° |
| C11 | C12 | C36 | H34 | 165.4° | 65.1° |
| C36 | C12 | C11 | C10 | 9.9° | 61.4° |
| C12 | C36 | N08 | H33 | 120.6° | 119.8° |
| C12 | C36 | N08 | H34 | 120.6° | 119.7° |
| C12 | C36 | N08 | C09 | 55.4° | 53.6° |
| C36 | C12 | C13 | H3 | 67.2° | 174.8° |
| C36 | C12 | C13 | H4 | 173.5° | 54.8° |
| C36 | C12 | C11 | H22 | 110.6° | 178.6° |
| C36 | C12 | C11 | H23 | 130.4° | 58.7° |
| C12 | C36 | H33 | H34 | 118.1° | 120.3° |
| C11 | C10 | C09 | N08 | 43.0° | 54.6° |
| C11 | C10 | C09 | H1 | 120.7° | 120.0° |
| C11 | C10 | C09 | H2 | 120.7° | 120.0° |
| C11 | C10 | H1 | H2 | 118.0° | 120.1° |
| C11 | C10 | C09 | H20 | 163.7° | 65.2° |
| C11 | C10 | C09 | H21 | 77.8° | 174.6° |
| C10 | C11 | H22 | H23 | 118.6° | 120.0° |
| C10 | C11 | C12 | H24 | 111.6° | 58.6° |
| O28 | S27 | C30 | C35 | 162.6° | 23.3° |
| O28 | S27 | C30 | C31 | 16.6° | 156.5° |
| S27 | C30 | C35 | C31 | 179.3° | 179.7° |
| S27 | C30 | C35 | C34 | 179.9° | 179.7° |
| S27 | C30 | C31 | C32 | 180.0° | 179.7° |
| S27 | C30 | C31 | H28 | 0.1° | 0.3° |
| S27 | C30 | C35 | H32 | 0.1° | 0.3° |
| C36 | N08 | C09 | C10 | 11.6° | 53.5° |
| C36 | N08 | C09 | H20 | 109.2° | 66.2° |
| C36 | N08 | C09 | H21 | 132.3° | 173.4° |
| N08 | C36 | C12 | H24 | 166.7° | 65.3° |
| N08 | C36 | H33 | H34 | 118.2° | 120.4° |
| N08 | C09 | C10 | H20 | 120.7° | 119.8° |
| N08 | C09 | C10 | H21 | 120.7° | 120.0° |
| N08 | C09 | C10 | H1 | 163.6° | 65.4° |
| N08 | C09 | C10 | H2 | 77.7° | 174.6° |
| N08 | C09 | H20 | H21 | 117.7° | 120.5° |
| C09 | N08 | C36 | H33 | 65.2° | 173.4° |
| C09 | N08 | C36 | H34 | 176.0° | 66.2° |
| C09 | C10 | H1 | H2 | 118.0° | 120.1° |
| C10 | C09 | H20 | H21 | 117.8° | 120.2° |
| C09 | C10 | C11 | H22 | 66.8° | 178.6° |
| C09 | C10 | C11 | H23 | 174.1° | 58.7° |
| C30 | C35 | C34 | H32 | 180.0° | 180.0° |
| C30 | C35 | C34 | C33 | 0.2° | 0.0° |
| C35 | C30 | C31 | C32 | 0.7° | 0.0° |
| C35 | C30 | C31 | H28 | 179.2° | 180.0° |
| C30 | C35 | C34 | H31 | 179.8° | 180.0° |
| C34 | C35 | C30 | C31 | 0.6° | 0.0° |
| C35 | C34 | C33 | H31 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.8° | 0.0° |
| C35 | C34 | C33 | H30 | 179.2° | 180.0° |
| C30 | C31 | C32 | H28 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | H29 | 179.9° | 180.0° |
| C31 | C30 | C35 | H32 | 179.4° | 180.0° |
| C34 | C33 | C32 | C31 | 0.7° | 0.0° |
| C34 | C33 | C32 | H30 | 180.0° | 180.0° |
| C34 | C33 | C32 | H29 | 179.3° | 180.0° |
| C33 | C34 | C35 | H32 | 179.9° | 180.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C31 | C32 | C33 | H30 | 179.3° | 180.0° |
| C33 | C32 | C31 | H28 | 179.8° | 180.0° |
| C32 | C33 | C34 | H31 | 179.2° | 180.0° |
| H1 | C10 | C09 | H20 | 75.6° | 174.8° |
| H1 | C10 | C09 | H21 | 42.9° | 54.6° |
| H1 | C10 | C11 | H22 | 53.8° | 61.4° |
| H1 | C10 | C11 | H23 | 65.2° | 178.6° |
| H2 | C10 | C09 | H20 | 43.0° | 54.8° |
| H2 | C10 | C09 | H21 | 161.6° | 65.4° |
| H2 | C10 | C11 | H22 | 172.5° | 58.7° |
| H2 | C10 | C11 | H23 | 53.4° | 61.3° |
| H3 | C13 | C12 | H24 | 173.3° | 65.0° |
| H3 | C13 | N14 | H35 | 130.2° | 63.9° |
| H4 | C13 | C12 | H24 | 54.0° | 175.0° |
| H4 | C13 | N14 | H35 | 110.5° | 176.1° |
| H5 | C15 | C16 | H25 | 44.9° | 55.1° |
| H5 | C15 | C16 | H26 | 165.0° | 65.0° |
| H5 | C15 | N14 | H35 | 177.9° | 176.1° |
| H6 | C15 | C16 | H25 | 74.5° | 64.9° |
| H6 | C15 | C16 | H26 | 45.7° | 175.0° |
| H6 | C15 | N14 | H35 | 62.8° | 63.9° |
| H7 | C20 | C21 | H8 | 0.4° | 0.0° |
| H9 | C24 | C25 | H27 | 0.0° | 0.0° |
| H10 | C26 | C25 | H27 | 0.3° | 0.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.1° |
| H14 | C03 | H15 | H16 | 120.0° | 120.0° |
| H17 | C04 | H18 | H19 | 120.0° | 120.0° |
| H22 | C11 | C12 | H24 | 127.9° | 61.4° |
| H23 | C11 | C12 | H24 | 8.8° | 178.6° |
| H24 | C12 | C36 | H33 | 46.1° | 54.5° |
| H24 | C12 | C36 | H34 | 72.7° | 174.9° |
| H28 | C31 | C32 | H29 | 0.1° | 0.0° |
| H29 | C32 | C33 | H30 | 0.7° | 0.0° |
| H30 | C33 | C34 | H31 | 0.8° | 0.0° |
| H31 | C34 | C35 | H32 | 0.1° | 0.0° |
