8LT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.41Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C27 | sing | 1.53Å | 1.50Å | |
| C29 | O30 | sing | 1.43Å | 1.36Å | |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | O26 | sing | 1.43Å | 1.42Å | |
| C07 | N08 | sing | 1.47Å | 1.50Å | |
| C09 | N08 | sing | 1.47Å | 1.55Å | |
| C09 | C10 | sing | 1.54Å | 1.61Å | |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| O26 | C25 | sing | 1.36Å | 1.41Å | |
| N08 | C18 | sing | 1.34Å | 1.37Å | |
| C10 | O11 | sing | 1.43Å | 1.44Å | |
| C10 | C12 | sing | 1.55Å | 1.33Å | |
| C18 | C12 | sing | 1.51Å | 1.65Å | |
| C18 | O19 | doub | 1.21Å | 1.25Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.45Å | Aromatic |
| C12 | C20 | sing | 1.51Å | 1.59Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| O34 | S31 | doub | 1.42Å | 1.44Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C23 | S31 | sing | 1.76Å | 1.85Å | |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| S31 | C32 | sing | 1.81Å | 1.85Å | |
| S31 | O33 | doub | 1.42Å | 1.44Å | |
| C21 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| O11 | H16 | sing | 0.97Å | 0.95Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| O30 | H32 | sing | 0.97Å | 0.95Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.08Å | 1.08Å | |
| C36 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C36 | C03 | 120.4° | 120.0° |
| C36 | C35 | C06 | 119.9° | 120.1° |
| C36 | C35 | H36 | 120.1° | 120.0° |
| C35 | C36 | H37 | 119.8° | 120.1° |
| C36 | C03 | O02 | 118.0° | 120.1° |
| C36 | C03 | C04 | 119.5° | 119.8° |
| C03 | C36 | H37 | 119.8° | 120.0° |
| C35 | C06 | C07 | 120.2° | 120.0° |
| C35 | C06 | C05 | 120.4° | 120.1° |
| C06 | C35 | H36 | 120.1° | 119.9° |
| C03 | O02 | C01 | 116.6° | 117.0° |
| O02 | C03 | C04 | 122.6° | 120.1° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C01 | H8 | 109.5° | 109.4° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| C28 | C27 | C29 | 110.7° | 109.4° |
| C28 | C27 | O26 | 107.8° | 109.4° |
| C28 | C27 | H26 | 109.4° | 109.5° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 109.4° | 109.5° |
| C27 | C28 | H29 | 109.4° | 109.4° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C03 | C04 | H10 | 120.0° | 120.0° |
| C27 | C29 | O30 | 108.1° | 109.5° |
| C29 | C27 | O26 | 108.2° | 109.5° |
| C29 | C27 | H26 | 109.8° | 109.5° |
| C27 | C29 | H30 | 109.8° | 109.4° |
| C27 | C29 | H31 | 109.8° | 109.4° |
| O30 | C29 | H30 | 109.8° | 109.5° |
| O30 | C29 | H31 | 109.8° | 109.5° |
| C29 | O30 | H32 | 109.5° | 114.1° |
| C07 | C06 | C05 | 119.5° | 119.9° |
| C06 | C07 | N08 | 107.5° | 109.5° |
| C06 | C07 | H12 | 109.9° | 109.5° |
| C06 | C07 | H13 | 109.9° | 109.5° |
| C06 | C05 | C04 | 120.0° | 120.0° |
| C06 | C05 | H11 | 120.0° | 119.9° |
| C27 | O26 | C25 | 120.8° | 117.0° |
| O26 | C27 | H26 | 111.0° | 109.5° |
| C07 | N08 | C09 | 124.7° | 124.4° |
| C07 | N08 | C18 | 127.1° | 124.3° |
| N08 | C07 | H12 | 110.0° | 109.5° |
| N08 | C07 | H13 | 109.9° | 109.5° |
| N08 | C09 | C10 | 102.8° | 105.5° |
| C09 | N08 | C18 | 108.2° | 111.3° |
| N08 | C09 | H14 | 111.1° | 110.2° |
| N08 | C09 | H15 | 111.1° | 110.2° |
| C09 | C10 | O11 | 108.0° | 111.0° |
| C09 | C10 | C12 | 104.2° | 101.8° |
| C09 | C10 | H1 | 108.0° | 110.9° |
| C10 | C09 | H14 | 111.1° | 110.3° |
| C10 | C09 | H15 | 111.1° | 110.3° |
| C05 | C04 | H10 | 120.0° | 120.0° |
| C04 | C05 | H11 | 120.0° | 120.0° |
| O26 | C25 | C24 | 122.1° | 120.0° |
| O26 | C25 | C20 | 118.2° | 120.1° |
| N08 | C18 | C12 | 106.7° | 110.1° |
| N08 | C18 | O19 | 127.1° | 125.0° |
| O11 | C10 | C12 | 114.1° | 111.0° |
| O11 | C10 | H1 | 110.2° | 110.8° |
| C10 | O11 | H16 | 109.5° | 114.0° |
| C10 | C12 | C18 | 106.4° | 104.2° |
| C10 | C12 | C20 | 109.6° | 110.5° |
| C10 | C12 | C13 | 109.0° | 110.5° |
| C12 | C10 | H1 | 111.9° | 111.0° |
| C12 | C18 | O19 | 126.2° | 124.9° |
| C18 | C12 | C20 | 107.0° | 110.5° |
| C18 | C12 | C13 | 109.3° | 110.6° |
| C24 | C25 | C20 | 119.7° | 119.9° |
| C25 | C24 | C23 | 118.5° | 119.9° |
| C25 | C24 | H25 | 120.8° | 120.0° |
| C25 | C20 | C12 | 116.8° | 120.0° |
| C25 | C20 | C21 | 120.7° | 120.0° |
| C20 | C12 | C13 | 115.2° | 110.4° |
| C12 | C20 | C21 | 122.5° | 120.0° |
| C12 | C13 | C14 | 114.5° | 109.5° |
| C12 | C13 | H2 | 108.2° | 109.4° |
| C12 | C13 | H3 | 108.2° | 109.5° |
| C24 | C23 | S31 | 116.1° | 120.0° |
| C24 | C23 | C22 | 123.0° | 120.1° |
| C23 | C24 | H25 | 120.7° | 120.1° |
| O34 | S31 | C23 | 107.5° | 104.3° |
| O34 | S31 | C32 | 111.9° | 110.6° |
| O34 | S31 | O33 | 104.6° | 121.0° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C20 | C21 | H23 | 120.2° | 120.0° |
| C13 | C14 | C15 | 111.5° | 109.4° |
| C14 | C13 | H2 | 108.2° | 109.5° |
| C14 | C13 | H3 | 108.2° | 109.5° |
| C13 | C14 | H4 | 109.0° | 109.4° |
| C13 | C14 | H5 | 109.0° | 109.5° |
| S31 | C23 | C22 | 120.8° | 120.0° |
| C23 | S31 | C32 | 109.9° | 104.4° |
| C23 | S31 | O33 | 110.0° | 104.3° |
| C23 | C22 | C21 | 118.4° | 120.1° |
| C23 | C22 | H24 | 120.8° | 119.9° |
| C32 | S31 | O33 | 112.7° | 110.6° |
| S31 | C32 | H33 | 109.5° | 109.5° |
| S31 | C32 | H34 | 109.5° | 109.4° |
| S31 | C32 | H35 | 109.4° | 109.5° |
| C22 | C21 | H23 | 120.1° | 120.0° |
| C21 | C22 | H24 | 120.8° | 119.9° |
| C14 | C15 | C17 | 112.3° | 109.5° |
| C14 | C15 | C16 | 108.7° | 109.4° |
| C15 | C14 | H4 | 109.0° | 109.5° |
| C15 | C14 | H5 | 109.0° | 109.5° |
| C14 | C15 | H6 | 107.5° | 109.4° |
| C17 | C15 | C16 | 112.1° | 109.5° |
| C17 | C15 | H6 | 107.8° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| C15 | C17 | H21 | 109.5° | 109.5° |
| C15 | C17 | H22 | 109.5° | 109.5° |
| C16 | C15 | H6 | 108.2° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.4° |
| C15 | C16 | H18 | 109.5° | 109.4° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H14 | C09 | H15 | 109.4° | 110.3° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H17 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.4° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.6° |
| H27 | C28 | H29 | 109.5° | 109.5° |
| H28 | C28 | H29 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.4° | 109.4° |
| H33 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C36 | C03 | H37 | 180.0° | 179.4° |
| C36 | C35 | C06 | H36 | 180.0° | 179.7° |
| C35 | C36 | C03 | O02 | 179.8° | 179.7° |
| C35 | C36 | C03 | C04 | 0.6° | 0.5° |
| C36 | C35 | C06 | C07 | 179.3° | 179.7° |
| C36 | C35 | C06 | C05 | 0.7° | 0.3° |
| C03 | C36 | C35 | C06 | 0.8° | 0.5° |
| C36 | C03 | O02 | C04 | 179.2° | 179.8° |
| C36 | C03 | O02 | C01 | 171.3° | 0.2° |
| C36 | C03 | C04 | C05 | 0.3° | 0.3° |
| C36 | C03 | C04 | H10 | 179.7° | 179.8° |
| C03 | C36 | C35 | H36 | 179.1° | 179.7° |
| C35 | C06 | C07 | C05 | 180.0° | 180.0° |
| C35 | C06 | C07 | N08 | 108.8° | 90.0° |
| C35 | C06 | C05 | C04 | 0.3° | 0.0° |
| C35 | C06 | C05 | H11 | 179.7° | 180.0° |
| C35 | C06 | C07 | H12 | 11.0° | 30.0° |
| C35 | C06 | C07 | H13 | 131.6° | 150.0° |
| C06 | C35 | C36 | H37 | 179.2° | 180.0° |
| O02 | C03 | C04 | C05 | 179.4° | 180.0° |
| C03 | O02 | C01 | H7 | 180.0° | 180.0° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| C03 | O02 | C01 | H9 | 60.0° | 59.9° |
| O02 | C03 | C04 | H10 | 0.6° | 0.0° |
| O02 | C03 | C36 | H37 | 0.2° | 0.3° |
| C01 | O02 | C03 | C04 | 7.9° | 180.0° |
| O02 | C01 | H7 | H8 | 120.0° | 120.0° |
| O02 | C01 | H7 | H9 | 120.0° | 120.1° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C28 | C27 | C29 | O26 | 117.9° | 119.9° |
| C28 | C27 | C29 | H26 | 120.9° | 120.0° |
| C28 | C27 | C29 | O30 | 176.7° | 54.5° |
| C28 | C27 | O26 | H26 | 119.8° | 120.0° |
| C28 | C27 | O26 | C25 | 97.7° | 84.6° |
| C27 | C28 | H27 | H28 | 120.0° | 120.1° |
| C27 | C28 | H27 | H29 | 120.0° | 119.9° |
| C27 | C28 | H28 | H29 | 120.0° | 119.9° |
| C28 | C27 | C29 | H30 | 56.9° | 174.5° |
| C28 | C27 | C29 | H31 | 63.5° | 65.5° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C03 | C04 | C05 | H11 | 179.9° | 180.0° |
| C04 | C03 | C36 | H37 | 179.4° | 180.0° |
| C27 | C29 | O30 | H30 | 119.8° | 120.0° |
| C27 | C29 | O30 | H31 | 119.8° | 120.0° |
| C29 | C27 | O26 | H26 | 120.5° | 120.1° |
| C29 | C27 | O26 | C25 | 142.7° | 155.5° |
| C29 | C27 | C28 | H27 | 180.0° | 60.0° |
| C29 | C27 | C28 | H28 | 60.0° | 60.1° |
| C29 | C27 | C28 | H29 | 60.0° | 180.0° |
| C27 | C29 | H30 | H31 | 120.6° | 120.0° |
| C27 | C29 | O30 | H32 | 57.1° | 175.0° |
| O30 | C29 | C27 | O26 | 65.5° | 65.4° |
| O30 | C29 | C27 | H26 | 55.8° | 174.5° |
| O30 | C29 | H30 | H31 | 120.7° | 120.0° |
| C06 | C07 | N08 | H12 | 119.7° | 120.0° |
| C06 | C07 | N08 | H13 | 119.7° | 120.0° |
| C06 | C07 | N08 | C09 | 47.7° | 90.0° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| C06 | C07 | N08 | C18 | 133.0° | 90.0° |
| C07 | C06 | C05 | H11 | 0.3° | 0.0° |
| C06 | C07 | H12 | H13 | 120.9° | 120.0° |
| C07 | C06 | C35 | H36 | 0.7° | 0.0° |
| C05 | C06 | C07 | N08 | 71.2° | 90.0° |
| C06 | C05 | C04 | H11 | 180.0° | 180.0° |
| C06 | C05 | C04 | H10 | 179.9° | 179.9° |
| C05 | C06 | C07 | H12 | 169.1° | 150.0° |
| C05 | C06 | C07 | H13 | 48.5° | 30.0° |
| C05 | C06 | C35 | H36 | 179.3° | 180.0° |
| C27 | O26 | C25 | C24 | 13.7° | 4.8° |
| C27 | O26 | C25 | C20 | 166.3° | 174.6° |
| O26 | C27 | C28 | H27 | 61.9° | 59.9° |
| O26 | C27 | C28 | H28 | 58.1° | 179.9° |
| O26 | C27 | C28 | H29 | 178.1° | 60.0° |
| O26 | C27 | C29 | H30 | 174.8° | 54.6° |
| O26 | C27 | C29 | H31 | 54.3° | 174.6° |
| C07 | N08 | C09 | C18 | 179.4° | 180.0° |
| C07 | N08 | C09 | C10 | 161.6° | 163.0° |
| C07 | N08 | C18 | C12 | 179.9° | 179.6° |
| C07 | N08 | C18 | O19 | 0.1° | 0.4° |
| N08 | C07 | H12 | H13 | 120.9° | 120.0° |
| C07 | N08 | C09 | H14 | 79.5° | 77.9° |
| C07 | N08 | C09 | H15 | 42.6° | 44.0° |
| N08 | C09 | C10 | H14 | 119.0° | 119.0° |
| N08 | C09 | C10 | H15 | 119.0° | 118.9° |
| N08 | C09 | C10 | O11 | 154.4° | 92.7° |
| N08 | C09 | C10 | C12 | 32.8° | 25.5° |
| C09 | N08 | C18 | C12 | 0.5° | 0.4° |
| C09 | N08 | C18 | O19 | 179.3° | 179.6° |
| N08 | C09 | C10 | H1 | 86.4° | 143.6° |
| C09 | N08 | C07 | H12 | 72.0° | 150.0° |
| C09 | N08 | C07 | H13 | 167.3° | 30.0° |
| N08 | C09 | H14 | H15 | 123.1° | 121.9° |
| C10 | C09 | N08 | C18 | 17.8° | 17.1° |
| C09 | C10 | O11 | C12 | 115.3° | 112.4° |
| C09 | C10 | O11 | H1 | 117.8° | 123.8° |
| C09 | C10 | C12 | H1 | 116.5° | 118.1° |
| C09 | C10 | C12 | C18 | 33.0° | 24.9° |
| C09 | C10 | C12 | C20 | 148.4° | 93.8° |
| C09 | C10 | C12 | C13 | 84.8° | 143.6° |
| C10 | C09 | H14 | H15 | 123.1° | 122.1° |
| C09 | C10 | O11 | H16 | 180.0° | 67.6° |
| O26 | C25 | C24 | C20 | 179.9° | 179.4° |
| O26 | C25 | C20 | C12 | 1.4° | 0.3° |
| O26 | C25 | C24 | C23 | 179.7° | 179.9° |
| O26 | C25 | C20 | C21 | 179.7° | 180.0° |
| O26 | C25 | C24 | H25 | 0.2° | 0.2° |
| C25 | O26 | C27 | H26 | 22.2° | 35.4° |
| N08 | C18 | C12 | C10 | 23.1° | 16.3° |
| N08 | C18 | C12 | O19 | 179.8° | 180.0° |
| N08 | C18 | C12 | C20 | 140.2° | 102.4° |
| N08 | C18 | C12 | C13 | 94.4° | 135.0° |
| C18 | N08 | C07 | H12 | 107.3° | 30.0° |
| C18 | N08 | C07 | H13 | 13.3° | 150.0° |
| C18 | N08 | C09 | H14 | 101.1° | 102.0° |
| C18 | N08 | C09 | H15 | 136.8° | 136.1° |
| O11 | C10 | C12 | H1 | 126.0° | 123.7° |
| O11 | C10 | C12 | C18 | 150.5° | 93.3° |
| O11 | C10 | C12 | C20 | 94.1° | 148.0° |
| O11 | C10 | C12 | C13 | 32.8° | 25.5° |
| O11 | C10 | C09 | H14 | 35.5° | 148.3° |
| O11 | C10 | C09 | H15 | 86.6° | 26.2° |
| C10 | C12 | C18 | C20 | 117.2° | 118.7° |
| C10 | C12 | C18 | C13 | 117.5° | 118.7° |
| C10 | C12 | C18 | O19 | 156.7° | 163.7° |
| C10 | C12 | C20 | C25 | 62.9° | 60.8° |
| C10 | C12 | C20 | C13 | 123.3° | 122.6° |
| C10 | C12 | C20 | C21 | 115.4° | 119.5° |
| C10 | C12 | C13 | C14 | 146.7° | 174.0° |
| C10 | C12 | C13 | H2 | 25.9° | 66.0° |
| C10 | C12 | C13 | H3 | 92.5° | 53.9° |
| C12 | C10 | C09 | H14 | 86.2° | 93.5° |
| C12 | C10 | C09 | H15 | 151.7° | 144.4° |
| C12 | C10 | O11 | H16 | 64.7° | 180.0° |
| C18 | C12 | C20 | C25 | 52.1° | 175.6° |
| C18 | C12 | C20 | C13 | 121.7° | 122.7° |
| C18 | C12 | C20 | C21 | 129.6° | 4.8° |
| C18 | C12 | C13 | C14 | 30.8° | 71.2° |
| C18 | C12 | C10 | H1 | 83.5° | 143.0° |
| C18 | C12 | C13 | H2 | 89.9° | 48.8° |
| C18 | C12 | C13 | H3 | 151.6° | 168.7° |
| O19 | C18 | C12 | C20 | 39.5° | 77.6° |
| O19 | C18 | C12 | C13 | 85.8° | 45.0° |
| C24 | C25 | C20 | C12 | 178.6° | 179.7° |
| C25 | C24 | C23 | H25 | 180.0° | 179.7° |
| C24 | C25 | C20 | C21 | 0.2° | 0.6° |
| C25 | C24 | C23 | S31 | 179.4° | 179.7° |
| C25 | C24 | C23 | C22 | 0.6° | 0.4° |
| C25 | C20 | C12 | C21 | 178.3° | 179.7° |
| C25 | C20 | C12 | C13 | 173.8° | 61.8° |
| C20 | C25 | C24 | C23 | 0.3° | 0.6° |
| C25 | C20 | C21 | C22 | 0.5° | 0.3° |
| C25 | C20 | C21 | H23 | 179.5° | 179.7° |
| C20 | C25 | C24 | H25 | 179.7° | 179.7° |
| C20 | C12 | C13 | C14 | 89.6° | 51.4° |
| C12 | C20 | C21 | C22 | 178.7° | 180.0° |
| C20 | C12 | C10 | H1 | 31.9° | 24.3° |
| C20 | C12 | C13 | H2 | 149.6° | 171.4° |
| C20 | C12 | C13 | H3 | 31.1° | 68.7° |
| C12 | C20 | C21 | H23 | 1.2° | 0.1° |
| C13 | C12 | C20 | C21 | 7.9° | 117.9° |
| C12 | C13 | C14 | H2 | 120.8° | 119.9° |
| C12 | C13 | C14 | H3 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 174.9° | 175.2° |
| C13 | C12 | C10 | H1 | 158.8° | 98.2° |
| C12 | C13 | H2 | H3 | 117.7° | 120.0° |
| C12 | C13 | C14 | H4 | 54.6° | 55.2° |
| C12 | C13 | C14 | H5 | 64.8° | 64.8° |
| C24 | C23 | S31 | O34 | 44.1° | 153.9° |
| C24 | C23 | S31 | C22 | 178.9° | 179.9° |
| C24 | C23 | S31 | C32 | 77.9° | 90.1° |
| C24 | C23 | S31 | O33 | 157.4° | 26.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.1° |
| C24 | C23 | C22 | H24 | 179.6° | 180.0° |
| O34 | S31 | C23 | C32 | 122.0° | 116.1° |
| O34 | S31 | C23 | O33 | 113.3° | 127.8° |
| O34 | S31 | C23 | C22 | 134.8° | 26.0° |
| O34 | S31 | C32 | O33 | 117.6° | 136.8° |
| O34 | S31 | C32 | H33 | 180.0° | 171.7° |
| O34 | S31 | C32 | H34 | 60.0° | 68.5° |
| O34 | S31 | C32 | H35 | 60.0° | 51.6° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C20 | C21 | C22 | H23 | 180.0° | 179.9° |
| C20 | C21 | C22 | H24 | 179.8° | 180.0° |
| C13 | C14 | C15 | H4 | 120.3° | 120.0° |
| C13 | C14 | C15 | H5 | 120.3° | 120.0° |
| C13 | C14 | C15 | C17 | 72.7° | 65.4° |
| C13 | C14 | C15 | C16 | 162.7° | 174.5° |
| C14 | C13 | H2 | H3 | 117.7° | 120.1° |
| C13 | C14 | H4 | H5 | 119.1° | 120.0° |
| C13 | C14 | C15 | H6 | 45.7° | 54.6° |
| C23 | S31 | C32 | O33 | 123.1° | 111.6° |
| S31 | C23 | C22 | C21 | 179.1° | 180.0° |
| S31 | C23 | C22 | H24 | 0.9° | 0.1° |
| S31 | C23 | C24 | H25 | 0.6° | 0.0° |
| C23 | S31 | C32 | H33 | 60.7° | 60.1° |
| C23 | S31 | C32 | H34 | 179.4° | 180.0° |
| C23 | S31 | C32 | H35 | 59.3° | 60.0° |
| C22 | C23 | S31 | C32 | 103.2° | 90.0° |
| C22 | C23 | S31 | O33 | 21.4° | 153.9° |
| C23 | C22 | C21 | H24 | 180.0° | 179.9° |
| C23 | C22 | C21 | H23 | 179.8° | 180.0° |
| C22 | C23 | C24 | H25 | 179.4° | 179.9° |
| S31 | C32 | H33 | H34 | 120.0° | 119.9° |
| S31 | C32 | H33 | H35 | 120.0° | 120.1° |
| S31 | C32 | H34 | H35 | 120.0° | 120.0° |
| O33 | S31 | C32 | H33 | 62.4° | 51.5° |
| O33 | S31 | C32 | H34 | 57.6° | 68.3° |
| O33 | S31 | C32 | H35 | 177.6° | 171.6° |
| C14 | C15 | C17 | C16 | 122.8° | 120.0° |
| C14 | C15 | C17 | H6 | 118.2° | 120.0° |
| C14 | C15 | C16 | H6 | 116.5° | 120.0° |
| C15 | C14 | C13 | H2 | 64.3° | 64.9° |
| C15 | C14 | C13 | H3 | 54.2° | 55.2° |
| C15 | C14 | H4 | H5 | 119.1° | 120.0° |
| C14 | C15 | C16 | H17 | 180.0° | 64.8° |
| C14 | C15 | C16 | H18 | 60.0° | 175.3° |
| C14 | C15 | C16 | H19 | 60.0° | 55.2° |
| C14 | C15 | C17 | H20 | 180.0° | 60.0° |
| C14 | C15 | C17 | H21 | 60.0° | 60.0° |
| C14 | C15 | C17 | H22 | 60.0° | 180.0° |
| C17 | C15 | C16 | H6 | 118.7° | 120.0° |
| C17 | C15 | C14 | H4 | 167.0° | 174.6° |
| C17 | C15 | C14 | H5 | 47.6° | 54.5° |
| C17 | C15 | C16 | H17 | 55.2° | 55.2° |
| C17 | C15 | C16 | H18 | 175.2° | 64.7° |
| C17 | C15 | C16 | H19 | 64.8° | 175.2° |
| C15 | C17 | H20 | H21 | 120.0° | 120.0° |
| C15 | C17 | H20 | H22 | 120.0° | 120.0° |
| C15 | C17 | H21 | H22 | 120.0° | 120.0° |
| C16 | C15 | C14 | H4 | 42.4° | 54.5° |
| C16 | C15 | C14 | H5 | 77.0° | 65.5° |
| C15 | C16 | H17 | H18 | 120.0° | 119.9° |
| C15 | C16 | H17 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.1° |
| C16 | C15 | C17 | H20 | 57.2° | 60.0° |
| C16 | C15 | C17 | H21 | 62.8° | 180.0° |
| C16 | C15 | C17 | H22 | 177.2° | 60.0° |
| H1 | C10 | C09 | H14 | 154.7° | 24.6° |
| H1 | C10 | C09 | H15 | 32.6° | 97.5° |
| H1 | C10 | O11 | H16 | 62.2° | 56.2° |
| H2 | C13 | C14 | H4 | 175.4° | 175.1° |
| H2 | C13 | C14 | H5 | 56.0° | 55.1° |
| H3 | C13 | C14 | H4 | 66.1° | 64.9° |
| H3 | C13 | C14 | H5 | 174.5° | 175.1° |
| H4 | C14 | C15 | H6 | 74.6° | 65.4° |
| H5 | C14 | C15 | H6 | 166.0° | 174.5° |
| H6 | C15 | C16 | H17 | 63.5° | 175.3° |
| H6 | C15 | C16 | H18 | 56.5° | 55.3° |
| H6 | C15 | C16 | H19 | 176.5° | 64.8° |
| H6 | C15 | C17 | H20 | 61.8° | 180.0° |
| H6 | C15 | C17 | H21 | 178.2° | 60.0° |
| H6 | C15 | C17 | H22 | 58.2° | 60.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C04 | C05 | H11 | 0.1° | 0.0° |
| H17 | C16 | H18 | H19 | 120.0° | 120.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H23 | C21 | C22 | H24 | 0.2° | 0.1° |
| H26 | C27 | C28 | H27 | 58.9° | 180.0° |
| H26 | C27 | C28 | H28 | 178.9° | 59.9° |
| H26 | C27 | C28 | H29 | 61.1° | 60.0° |
| H26 | C27 | C29 | H30 | 64.0° | 65.5° |
| H26 | C27 | C29 | H31 | 175.6° | 54.5° |
| H27 | C28 | H28 | H29 | 120.0° | 120.0° |
| H30 | C29 | O30 | H32 | 176.8° | 65.0° |
| H31 | C29 | O30 | H32 | 62.7° | 55.0° |
| H33 | C32 | H34 | H35 | 120.0° | 120.1° |
| H36 | C35 | C36 | H37 | 0.9° | 0.3° |
