IHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C02 | sing | 1.53Å | 1.52Å | |
| C04 | C02 | sing | 1.53Å | 1.51Å | |
| C04 | C06 | sing | 1.53Å | 1.52Å | |
| C02 | C13 | sing | 1.53Å | 1.52Å | |
| C02 | C07 | sing | 1.50Å | 1.51Å | |
| C06 | C09 | sing | 1.53Å | 1.51Å | |
| C07 | C18 | sing | 1.42Å | 1.51Å | |
| C07 | C10 | doub | 1.32Å | 1.49Å | |
| C09 | C10 | sing | 1.50Å | 1.34Å | |
| C18 | C22 | doub | 1.36Å | 1.33Å | |
| C10 | C19 | sing | 1.51Å | 1.49Å | |
| C22 | C23 | sing | 1.41Å | 1.48Å | |
| C23 | C25 | sing | 1.51Å | 1.49Å | |
| C23 | C27 | doub | 1.36Å | 1.34Å | |
| C27 | C30 | sing | 1.40Å | 1.46Å | |
| C30 | C32 | doub | 1.38Å | 1.33Å | |
| C32 | C33 | sing | 1.40Å | 1.47Å | |
| C36 | C33 | sing | 1.51Å | 1.49Å | |
| C33 | C37 | doub | 1.38Å | 1.34Å | |
| C37 | C40 | sing | 1.40Å | 1.46Å | |
| C40 | C41 | doub | 1.38Å | 1.33Å | |
| C41 | C38 | sing | 1.40Å | 1.46Å | |
| C38 | C35 | doub | 1.38Å | 1.34Å | |
| C39 | C35 | sing | 1.51Å | 1.49Å | |
| C35 | C34 | sing | 1.40Å | 1.47Å | |
| C34 | C31 | doub | 1.38Å | 1.33Å | |
| C31 | C29 | sing | 1.40Å | 1.46Å | |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C29 | C26 | doub | 1.36Å | 1.34Å | |
| C26 | C24 | sing | 1.43Å | 1.26Å | |
| C16 | C03 | sing | 1.53Å | 1.53Å | |
| C24 | C21 | trip | 1.17Å | 1.18Å | |
| C17 | C03 | sing | 1.53Å | 1.52Å | |
| C21 | C11 | sing | 1.43Å | 1.25Å | |
| C03 | C11 | sing | 1.50Å | 1.50Å | |
| C03 | C05 | sing | 1.53Å | 1.53Å | |
| C11 | C15 | doub | 1.32Å | 1.32Å | |
| C05 | C08 | sing | 1.53Å | 1.52Å | |
| C15 | C20 | sing | 1.51Å | 1.50Å | |
| C15 | C12 | sing | 1.50Å | 1.50Å | |
| C08 | C12 | sing | 1.53Å | 1.51Å | |
| C08 | O01 | sing | 1.43Å | 1.43Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| C30 | H42 | sing | 1.08Å | 1.08Å | |
| C31 | H43 | sing | 1.08Å | 1.08Å | |
| C32 | H44 | sing | 1.08Å | 1.08Å | |
| C34 | H45 | sing | 1.08Å | 1.08Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.08Å | 1.08Å | |
| C38 | H50 | sing | 1.08Å | 1.08Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.08Å | 1.08Å | |
| C41 | H55 | sing | 1.08Å | 1.08Å | |
| O01 | H56 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C02 | C04 | 108.9° | 109.2° |
| C14 | C02 | C13 | 110.7° | 109.4° |
| C14 | C02 | C07 | 109.9° | 109.3° |
| C02 | C14 | H17 | 109.5° | 109.4° |
| C02 | C14 | H18 | 109.5° | 109.5° |
| C02 | C14 | H19 | 109.5° | 109.5° |
| C02 | C04 | C06 | 108.3° | 108.5° |
| C04 | C02 | C13 | 108.9° | 109.4° |
| C04 | C02 | C07 | 108.4° | 110.1° |
| C02 | C04 | H1 | 109.8° | 109.6° |
| C02 | C04 | H2 | 109.8° | 109.7° |
| C04 | C06 | C09 | 108.8° | 108.5° |
| C06 | C04 | H1 | 109.8° | 109.6° |
| C06 | C04 | H2 | 109.8° | 109.6° |
| C04 | C06 | H5 | 109.6° | 109.6° |
| C04 | C06 | H6 | 109.7° | 109.6° |
| C13 | C02 | C07 | 110.0° | 109.4° |
| C02 | C13 | H14 | 109.5° | 109.5° |
| C02 | C13 | H15 | 109.5° | 109.5° |
| C02 | C13 | H16 | 109.5° | 109.5° |
| C02 | C07 | C18 | 113.4° | 118.1° |
| C02 | C07 | C10 | 108.0° | 123.6° |
| C06 | C09 | C10 | 121.3° | 110.1° |
| C09 | C06 | H5 | 109.6° | 109.7° |
| C09 | C06 | H6 | 109.6° | 109.7° |
| C06 | C09 | H9 | 106.4° | 109.3° |
| C06 | C09 | H10 | 106.4° | 109.4° |
| C18 | C07 | C10 | 109.5° | 118.2° |
| C07 | C18 | C22 | 123.9° | 120.0° |
| C07 | C18 | H26 | 118.0° | 120.0° |
| C07 | C10 | C09 | 120.6° | 123.7° |
| C07 | C10 | C19 | 119.3° | 118.1° |
| C09 | C10 | C19 | 120.1° | 118.1° |
| C10 | C09 | H9 | 106.4° | 109.4° |
| C10 | C09 | H10 | 106.4° | 109.4° |
| C18 | C22 | C23 | 117.8° | 120.0° |
| C22 | C18 | H26 | 118.0° | 120.0° |
| C18 | C22 | H33 | 121.2° | 120.0° |
| C10 | C19 | H27 | 109.5° | 109.5° |
| C10 | C19 | H28 | 109.5° | 109.5° |
| C10 | C19 | H29 | 109.5° | 109.5° |
| C22 | C23 | C25 | 119.1° | 120.0° |
| C22 | C23 | C27 | 122.2° | 120.0° |
| C23 | C22 | H33 | 121.1° | 120.0° |
| C25 | C23 | C27 | 118.6° | 120.0° |
| C23 | C25 | H34 | 109.5° | 109.5° |
| C23 | C25 | H35 | 109.4° | 109.5° |
| C23 | C25 | H36 | 109.5° | 109.5° |
| C23 | C27 | C30 | 119.7° | 120.0° |
| C23 | C27 | H37 | 120.2° | 120.0° |
| C27 | C30 | C32 | 118.6° | 120.0° |
| C30 | C27 | H37 | 120.2° | 120.0° |
| C27 | C30 | H42 | 120.7° | 120.0° |
| C30 | C32 | C33 | 123.0° | 120.0° |
| C32 | C30 | H42 | 120.7° | 120.1° |
| C30 | C32 | H44 | 118.5° | 120.0° |
| C32 | C33 | C36 | 121.3° | 120.0° |
| C32 | C33 | C37 | 118.6° | 120.0° |
| C33 | C32 | H44 | 118.5° | 120.0° |
| C36 | C33 | C37 | 120.1° | 120.0° |
| C33 | C36 | H46 | 109.5° | 109.4° |
| C33 | C36 | H47 | 109.5° | 109.5° |
| C33 | C36 | H48 | 109.5° | 109.4° |
| C33 | C37 | C40 | 123.1° | 120.0° |
| C33 | C37 | H49 | 118.4° | 120.0° |
| C37 | C40 | C41 | 117.5° | 120.0° |
| C40 | C37 | H49 | 118.4° | 120.0° |
| C37 | C40 | H54 | 121.3° | 120.0° |
| C40 | C41 | C38 | 122.3° | 120.0° |
| C41 | C40 | H54 | 121.2° | 120.0° |
| C40 | C41 | H55 | 118.8° | 120.0° |
| C41 | C38 | C35 | 119.2° | 120.0° |
| C41 | C38 | H50 | 120.4° | 119.9° |
| C38 | C41 | H55 | 118.8° | 120.0° |
| C38 | C35 | C39 | 119.9° | 120.0° |
| C38 | C35 | C34 | 119.8° | 120.0° |
| C35 | C38 | H50 | 120.4° | 120.0° |
| C39 | C35 | C34 | 120.3° | 120.0° |
| C35 | C39 | H51 | 109.5° | 109.5° |
| C35 | C39 | H52 | 109.5° | 109.5° |
| C35 | C39 | H53 | 109.5° | 109.4° |
| C35 | C34 | C31 | 121.4° | 120.0° |
| C35 | C34 | H45 | 119.3° | 120.0° |
| C34 | C31 | C29 | 118.5° | 120.0° |
| C34 | C31 | H43 | 120.7° | 120.0° |
| C31 | C34 | H45 | 119.3° | 120.0° |
| C31 | C29 | C26 | 121.4° | 120.0° |
| C31 | C29 | H41 | 119.3° | 120.0° |
| C29 | C31 | H43 | 120.7° | 120.0° |
| C28 | C26 | C29 | 120.0° | 120.0° |
| C28 | C26 | C24 | 120.2° | 120.0° |
| C26 | C28 | H38 | 109.5° | 109.5° |
| C26 | C28 | H39 | 109.5° | 109.5° |
| C26 | C28 | H40 | 109.5° | 109.4° |
| C29 | C26 | C24 | 119.8° | 120.0° |
| C26 | C29 | H41 | 119.3° | 120.0° |
| C26 | C24 | C21 | 178.8° | 180.0° |
| C16 | C03 | C17 | 87.3° | 109.3° |
| C16 | C03 | C11 | 118.3° | 109.4° |
| C16 | C03 | C05 | 119.4° | 109.3° |
| C03 | C16 | H20 | 109.5° | 109.5° |
| C03 | C16 | H21 | 109.5° | 109.5° |
| C03 | C16 | H22 | 109.5° | 109.5° |
| C24 | C21 | C11 | 179.2° | 180.0° |
| C17 | C03 | C11 | 82.5° | 109.4° |
| C17 | C03 | C05 | 84.9° | 109.3° |
| C03 | C17 | H23 | 109.5° | 109.5° |
| C03 | C17 | H24 | 109.5° | 109.5° |
| C03 | C17 | H25 | 109.4° | 109.5° |
| C21 | C11 | C03 | 121.5° | 118.1° |
| C21 | C11 | C15 | 120.2° | 118.2° |
| C11 | C03 | C05 | 120.0° | 110.1° |
| C03 | C11 | C15 | 118.3° | 123.7° |
| C03 | C05 | C08 | 111.2° | 108.6° |
| C03 | C05 | H3 | 109.0° | 109.6° |
| C03 | C05 | H4 | 109.1° | 109.6° |
| C11 | C15 | C20 | 120.1° | 118.1° |
| C11 | C15 | C12 | 118.8° | 123.7° |
| C05 | C08 | C12 | 108.7° | 108.6° |
| C05 | C08 | O01 | 109.8° | 109.6° |
| C08 | C05 | H3 | 109.0° | 109.6° |
| C08 | C05 | H4 | 109.0° | 109.7° |
| C05 | C08 | H8 | 109.3° | 109.6° |
| C20 | C15 | C12 | 121.1° | 118.1° |
| C15 | C20 | H30 | 109.5° | 109.5° |
| C15 | C20 | H31 | 109.5° | 109.5° |
| C15 | C20 | H32 | 109.5° | 109.4° |
| C15 | C12 | C08 | 106.2° | 110.1° |
| C15 | C12 | H12 | 110.3° | 109.3° |
| C15 | C12 | H13 | 110.3° | 109.3° |
| C12 | C08 | O01 | 109.0° | 109.6° |
| C12 | C08 | H8 | 109.4° | 109.6° |
| C08 | C12 | H12 | 110.3° | 109.3° |
| C08 | C12 | H13 | 110.3° | 109.4° |
| O01 | C08 | H8 | 110.6° | 109.8° |
| C08 | O01 | H56 | 109.5° | 114.0° |
| H1 | C04 | H2 | 109.4° | 109.7° |
| H3 | C05 | H4 | 109.5° | 109.8° |
| H5 | C06 | H6 | 109.5° | 109.8° |
| H9 | C09 | H10 | 109.5° | 109.3° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H19 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.4° | 109.5° |
| H20 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.4° | 109.4° |
| H23 | C17 | H25 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.4° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.4° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H32 | 109.4° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.4° | 109.5° |
| H34 | C25 | H36 | 109.5° | 109.4° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| H38 | C28 | H39 | 109.4° | 109.5° |
| H38 | C28 | H40 | 109.4° | 109.5° |
| H39 | C28 | H40 | 109.5° | 109.5° |
| H46 | C36 | H47 | 109.4° | 109.5° |
| H46 | C36 | H48 | 109.5° | 109.5° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| H51 | C39 | H52 | 109.5° | 109.5° |
| H51 | C39 | H53 | 109.5° | 109.5° |
| H52 | C39 | H53 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C02 | C04 | C13 | 120.8° | 119.7° |
| C14 | C02 | C04 | C07 | 119.5° | 120.1° |
| C14 | C02 | C04 | C06 | 171.8° | 170.0° |
| C14 | C02 | C13 | C07 | 121.6° | 119.7° |
| C14 | C02 | C07 | C18 | 61.1° | 42.8° |
| C14 | C02 | C07 | C10 | 177.2° | 137.2° |
| C14 | C02 | C04 | H1 | 51.9° | 70.3° |
| C14 | C02 | C04 | H2 | 68.4° | 50.2° |
| C14 | C02 | C13 | H14 | 180.0° | 59.7° |
| C14 | C02 | C13 | H15 | 60.0° | 60.3° |
| C14 | C02 | C13 | H16 | 60.0° | 179.7° |
| C02 | C14 | H17 | H18 | 120.0° | 120.0° |
| C02 | C14 | H17 | H19 | 120.0° | 120.0° |
| C02 | C14 | H18 | H19 | 120.0° | 120.0° |
| C02 | C04 | C06 | H1 | 119.8° | 119.7° |
| C02 | C04 | C06 | H2 | 119.8° | 119.8° |
| C04 | C02 | C13 | C07 | 118.7° | 120.7° |
| C02 | C04 | C06 | C09 | 53.4° | 68.3° |
| C04 | C02 | C07 | C18 | 180.0° | 162.8° |
| C04 | C02 | C07 | C10 | 58.4° | 17.2° |
| C02 | C04 | H1 | H2 | 120.5° | 120.5° |
| C02 | C04 | C06 | H5 | 66.5° | 51.5° |
| C02 | C04 | C06 | H6 | 173.3° | 172.0° |
| C04 | C02 | C13 | H14 | 60.3° | 179.4° |
| C04 | C02 | C13 | H15 | 179.7° | 59.4° |
| C04 | C02 | C13 | H16 | 59.7° | 60.7° |
| C04 | C02 | C14 | H17 | 180.0° | 174.4° |
| C04 | C02 | C14 | H18 | 60.0° | 65.6° |
| C04 | C02 | C14 | H19 | 60.0° | 54.5° |
| C06 | C04 | C02 | C13 | 51.0° | 70.3° |
| C06 | C04 | C02 | C07 | 68.7° | 49.9° |
| C04 | C06 | C09 | H5 | 119.9° | 119.7° |
| C04 | C06 | C09 | H6 | 119.9° | 119.7° |
| C04 | C06 | C09 | C10 | 35.0° | 49.8° |
| C06 | C04 | H1 | H2 | 120.5° | 120.4° |
| C04 | C06 | H5 | H6 | 120.3° | 120.5° |
| C04 | C06 | C09 | H9 | 156.7° | 170.0° |
| C04 | C06 | C09 | H10 | 86.6° | 70.4° |
| C13 | C02 | C07 | C18 | 61.0° | 76.9° |
| C13 | C02 | C07 | C10 | 60.6° | 103.1° |
| C13 | C02 | C04 | H1 | 68.9° | 49.4° |
| C13 | C02 | C04 | H2 | 170.8° | 169.9° |
| C02 | C13 | H14 | H15 | 120.0° | 120.0° |
| C02 | C13 | H14 | H16 | 120.0° | 120.0° |
| C02 | C13 | H15 | H16 | 120.0° | 120.0° |
| C13 | C02 | C14 | H17 | 60.4° | 54.7° |
| C13 | C02 | C14 | H18 | 179.6° | 174.7° |
| C13 | C02 | C14 | H19 | 59.7° | 65.2° |
| C02 | C07 | C18 | C10 | 120.8° | 180.0° |
| C02 | C07 | C10 | C09 | 39.5° | 0.4° |
| C02 | C07 | C18 | C22 | 54.9° | 122.9° |
| C02 | C07 | C10 | C19 | 140.8° | 179.6° |
| C07 | C02 | C04 | H1 | 171.5° | 169.6° |
| C07 | C02 | C04 | H2 | 51.1° | 69.8° |
| C07 | C02 | C13 | H14 | 58.4° | 60.0° |
| C07 | C02 | C13 | H15 | 61.7° | 180.0° |
| C07 | C02 | C13 | H16 | 178.4° | 60.0° |
| C07 | C02 | C14 | H17 | 61.4° | 65.0° |
| C07 | C02 | C14 | H18 | 58.6° | 55.0° |
| C07 | C02 | C14 | H19 | 178.6° | 175.1° |
| C02 | C07 | C18 | H26 | 125.1° | 57.1° |
| C06 | C09 | C10 | C07 | 29.2° | 17.2° |
| C06 | C09 | C10 | H9 | 121.7° | 120.2° |
| C06 | C09 | C10 | H10 | 121.6° | 120.2° |
| C06 | C09 | C10 | C19 | 151.1° | 162.8° |
| C09 | C06 | C04 | H1 | 173.2° | 172.0° |
| C09 | C06 | C04 | H2 | 66.4° | 51.5° |
| C09 | C06 | H5 | H6 | 120.3° | 120.5° |
| C06 | C09 | H9 | H10 | 114.7° | 119.7° |
| C18 | C07 | C10 | C09 | 163.5° | 179.6° |
| C07 | C18 | C22 | H26 | 180.0° | 180.0° |
| C18 | C07 | C10 | C19 | 16.7° | 0.4° |
| C07 | C18 | C22 | C23 | 179.3° | 174.6° |
| C07 | C18 | C22 | H33 | 0.7° | 5.3° |
| C07 | C10 | C09 | C19 | 179.7° | 180.0° |
| C10 | C07 | C18 | C22 | 65.9° | 57.1° |
| C07 | C10 | C09 | H9 | 150.9° | 137.3° |
| C07 | C10 | C09 | H10 | 92.5° | 103.0° |
| C10 | C07 | C18 | H26 | 114.1° | 122.9° |
| C07 | C10 | C19 | H27 | 180.0° | 90.5° |
| C07 | C10 | C19 | H28 | 60.0° | 149.5° |
| C07 | C10 | C19 | H29 | 60.0° | 29.5° |
| C10 | C09 | C06 | H5 | 84.8° | 69.8° |
| C10 | C09 | C06 | H6 | 155.0° | 169.5° |
| C10 | C09 | H9 | H10 | 114.6° | 119.7° |
| C09 | C10 | C19 | H27 | 0.2° | 89.4° |
| C09 | C10 | C19 | H28 | 119.7° | 30.6° |
| C09 | C10 | C19 | H29 | 120.3° | 150.5° |
| C18 | C22 | C23 | H33 | 180.0° | 180.0° |
| C18 | C22 | C23 | C25 | 9.7° | 0.0° |
| C18 | C22 | C23 | C27 | 170.8° | 180.0° |
| C19 | C10 | C09 | H9 | 29.4° | 42.6° |
| C19 | C10 | C09 | H10 | 87.3° | 77.0° |
| C10 | C19 | H27 | H28 | 120.0° | 120.0° |
| C10 | C19 | H27 | H29 | 120.0° | 120.0° |
| C10 | C19 | H28 | H29 | 120.0° | 120.0° |
| C22 | C23 | C25 | C27 | 179.5° | 180.0° |
| C22 | C23 | C27 | C30 | 179.5° | 180.0° |
| C23 | C22 | C18 | H26 | 0.7° | 5.3° |
| C22 | C23 | C25 | H34 | 180.0° | 90.0° |
| C22 | C23 | C25 | H35 | 60.0° | 150.0° |
| C22 | C23 | C25 | H36 | 60.0° | 30.0° |
| C22 | C23 | C27 | H37 | 0.5° | 0.0° |
| C25 | C23 | C27 | C30 | 0.0° | 0.1° |
| C25 | C23 | C22 | H33 | 170.3° | 180.0° |
| C23 | C25 | H34 | H35 | 120.0° | 120.0° |
| C23 | C25 | H34 | H36 | 120.0° | 120.1° |
| C23 | C25 | H35 | H36 | 120.0° | 120.1° |
| C25 | C23 | C27 | H37 | 180.0° | 180.0° |
| C23 | C27 | C30 | H37 | 180.0° | 179.9° |
| C23 | C27 | C30 | C32 | 137.1° | 180.0° |
| C27 | C23 | C22 | H33 | 9.2° | 0.0° |
| C27 | C23 | C25 | H34 | 0.4° | 90.0° |
| C27 | C23 | C25 | H35 | 119.5° | 30.0° |
| C27 | C23 | C25 | H36 | 120.5° | 150.0° |
| C23 | C27 | C30 | H42 | 42.9° | 0.0° |
| C27 | C30 | C32 | H42 | 180.0° | 180.0° |
| C27 | C30 | C32 | C33 | 179.8° | 180.0° |
| C27 | C30 | C32 | H44 | 0.2° | 0.1° |
| C30 | C32 | C33 | H44 | 180.0° | 179.9° |
| C30 | C32 | C33 | C36 | 8.6° | 0.1° |
| C30 | C32 | C33 | C37 | 171.7° | 180.0° |
| C32 | C30 | C27 | H37 | 42.9° | 0.1° |
| C32 | C33 | C36 | C37 | 179.7° | 179.9° |
| C32 | C33 | C37 | C40 | 179.9° | 180.0° |
| C33 | C32 | C30 | H42 | 0.2° | 0.0° |
| C32 | C33 | C36 | H46 | 180.0° | 90.0° |
| C32 | C33 | C36 | H47 | 60.0° | 150.0° |
| C32 | C33 | C36 | H48 | 60.0° | 30.0° |
| C32 | C33 | C37 | H49 | 0.1° | 0.1° |
| C36 | C33 | C37 | C40 | 0.2° | 0.0° |
| C36 | C33 | C32 | H44 | 171.4° | 180.0° |
| C33 | C36 | H46 | H47 | 120.0° | 120.0° |
| C33 | C36 | H46 | H48 | 120.0° | 119.9° |
| C33 | C36 | H47 | H48 | 120.0° | 120.0° |
| C36 | C33 | C37 | H49 | 179.8° | 180.0° |
| C33 | C37 | C40 | H49 | 180.0° | 179.9° |
| C33 | C37 | C40 | C41 | 170.5° | 180.0° |
| C37 | C33 | C32 | H44 | 8.3° | 0.1° |
| C37 | C33 | C36 | H46 | 0.3° | 90.0° |
| C37 | C33 | C36 | H47 | 119.7° | 29.9° |
| C37 | C33 | C36 | H48 | 120.3° | 150.0° |
| C33 | C37 | C40 | H54 | 9.4° | 0.0° |
| C37 | C40 | C41 | H54 | 180.0° | 180.0° |
| C37 | C40 | C41 | C38 | 179.9° | 180.0° |
| C37 | C40 | C41 | H55 | 0.1° | 0.0° |
| C40 | C41 | C38 | H55 | 180.0° | 179.9° |
| C40 | C41 | C38 | C35 | 151.7° | 180.0° |
| C41 | C40 | C37 | H49 | 9.4° | 0.0° |
| C40 | C41 | C38 | H50 | 28.3° | 0.1° |
| C41 | C38 | C35 | H50 | 180.0° | 179.9° |
| C41 | C38 | C35 | C39 | 0.6° | 0.1° |
| C41 | C38 | C35 | C34 | 180.0° | 179.9° |
| C38 | C41 | C40 | H54 | 0.1° | 0.1° |
| C38 | C35 | C39 | C34 | 179.4° | 180.0° |
| C38 | C35 | C34 | C31 | 173.5° | 180.0° |
| C38 | C35 | C34 | H45 | 6.5° | 0.0° |
| C38 | C35 | C39 | H51 | 180.0° | 90.0° |
| C38 | C35 | C39 | H52 | 60.0° | 30.0° |
| C38 | C35 | C39 | H53 | 60.0° | 149.9° |
| C35 | C38 | C41 | H55 | 28.3° | 0.1° |
| C39 | C35 | C34 | C31 | 7.2° | 0.1° |
| C39 | C35 | C34 | H45 | 172.9° | 180.0° |
| C39 | C35 | C38 | H50 | 179.4° | 180.0° |
| C35 | C39 | H51 | H52 | 120.0° | 120.0° |
| C35 | C39 | H51 | H53 | 120.0° | 120.0° |
| C35 | C39 | H52 | H53 | 120.0° | 119.9° |
| C35 | C34 | C31 | H45 | 180.0° | 179.9° |
| C35 | C34 | C31 | C29 | 179.8° | 180.0° |
| C35 | C34 | C31 | H43 | 0.2° | 0.0° |
| C34 | C35 | C38 | H50 | 0.1° | 0.0° |
| C34 | C35 | C39 | H51 | 0.6° | 90.0° |
| C34 | C35 | C39 | H52 | 119.4° | 150.0° |
| C34 | C35 | C39 | H53 | 120.7° | 30.1° |
| C34 | C31 | C29 | H43 | 180.0° | 180.0° |
| C34 | C31 | C29 | C26 | 128.1° | 180.0° |
| C34 | C31 | C29 | H41 | 51.9° | 0.1° |
| C31 | C29 | C26 | C28 | 0.1° | 0.1° |
| C31 | C29 | C26 | H41 | 180.0° | 179.9° |
| C31 | C29 | C26 | C24 | 179.0° | 180.0° |
| C29 | C31 | C34 | H45 | 0.3° | 0.1° |
| C28 | C26 | C29 | C24 | 179.1° | 180.0° |
| C28 | C26 | C24 | C21 | 72.6° | 178.0° |
| C26 | C28 | H38 | H39 | 120.0° | 120.0° |
| C26 | C28 | H38 | H40 | 120.0° | 120.0° |
| C26 | C28 | H39 | H40 | 120.0° | 119.9° |
| C28 | C26 | C29 | H41 | 179.9° | 180.0° |
| C29 | C26 | C24 | C21 | 106.5° | 1.9° |
| C29 | C26 | C28 | H38 | 180.0° | 90.0° |
| C29 | C26 | C28 | H39 | 60.0° | 30.1° |
| C29 | C26 | C28 | H40 | 60.0° | 150.0° |
| C26 | C29 | C31 | H43 | 51.9° | 0.0° |
| C26 | C24 | C21 | C11 | 110.0° | 92.1° |
| C24 | C26 | C28 | H38 | 0.9° | 90.0° |
| C24 | C26 | C28 | H39 | 119.1° | 150.0° |
| C24 | C26 | C28 | H40 | 120.9° | 30.0° |
| C24 | C26 | C29 | H41 | 1.0° | 0.1° |
| C16 | C03 | C17 | C11 | 119.0° | 119.7° |
| C16 | C03 | C17 | C05 | 119.8° | 119.6° |
| C16 | C03 | C11 | C21 | 2.0° | 42.7° |
| C16 | C03 | C11 | C05 | 162.5° | 120.2° |
| C16 | C03 | C11 | C15 | 177.2° | 137.4° |
| C16 | C03 | C05 | C08 | 159.4° | 170.0° |
| C16 | C03 | C05 | H3 | 80.4° | 50.4° |
| C16 | C03 | C05 | H4 | 39.1° | 70.2° |
| C03 | C16 | H20 | H21 | 120.0° | 120.0° |
| C03 | C16 | H20 | H22 | 120.0° | 120.0° |
| C03 | C16 | H21 | H22 | 120.0° | 120.1° |
| C16 | C03 | C17 | H23 | 180.0° | 179.7° |
| C16 | C03 | C17 | H24 | 60.0° | 60.3° |
| C16 | C03 | C17 | H25 | 60.0° | 59.7° |
| C24 | C21 | C11 | C03 | 140.5° | 90.2° |
| C24 | C21 | C11 | C15 | 38.8° | 89.9° |
| C17 | C03 | C11 | C21 | 84.9° | 77.0° |
| C17 | C03 | C11 | C05 | 79.6° | 120.2° |
| C17 | C03 | C11 | C15 | 94.3° | 102.9° |
| C17 | C03 | C05 | C08 | 75.3° | 70.4° |
| C17 | C03 | C05 | H3 | 164.4° | 170.0° |
| C17 | C03 | C05 | H4 | 44.9° | 49.4° |
| C17 | C03 | C16 | H20 | 180.0° | 59.7° |
| C17 | C03 | C16 | H21 | 60.0° | 60.3° |
| C17 | C03 | C16 | H22 | 60.0° | 179.6° |
| C03 | C17 | H23 | H24 | 120.0° | 120.0° |
| C03 | C17 | H23 | H25 | 120.0° | 120.0° |
| C03 | C17 | H24 | H25 | 120.0° | 120.1° |
| C21 | C11 | C03 | C15 | 179.3° | 179.9° |
| C21 | C11 | C03 | C05 | 164.5° | 162.9° |
| C21 | C11 | C15 | C20 | 12.1° | 0.3° |
| C21 | C11 | C15 | C12 | 168.7° | 179.6° |
| C11 | C03 | C05 | C08 | 3.0° | 49.8° |
| C03 | C11 | C15 | C20 | 167.1° | 179.6° |
| C03 | C11 | C15 | C12 | 12.1° | 0.5° |
| C11 | C03 | C05 | H3 | 117.3° | 69.8° |
| C11 | C03 | C05 | H4 | 123.2° | 169.6° |
| C11 | C03 | C16 | H20 | 99.9° | 60.0° |
| C11 | C03 | C16 | H21 | 20.0° | 180.0° |
| C11 | C03 | C16 | H22 | 140.1° | 59.9° |
| C11 | C03 | C17 | H23 | 61.0° | 60.0° |
| C11 | C03 | C17 | H24 | 179.0° | 179.9° |
| C11 | C03 | C17 | H25 | 59.0° | 60.0° |
| C05 | C03 | C11 | C15 | 14.7° | 17.2° |
| C03 | C05 | C08 | H3 | 120.3° | 119.7° |
| C03 | C05 | C08 | H4 | 120.3° | 119.8° |
| C03 | C05 | C08 | C12 | 43.9° | 68.2° |
| C03 | C05 | C08 | O01 | 163.0° | 172.1° |
| C03 | C05 | H3 | H4 | 119.2° | 120.5° |
| C03 | C05 | C08 | H8 | 75.4° | 51.5° |
| C05 | C03 | C16 | H20 | 97.4° | 179.3° |
| C05 | C03 | C16 | H21 | 142.6° | 59.4° |
| C05 | C03 | C16 | H22 | 22.6° | 60.7° |
| C05 | C03 | C17 | H23 | 60.2° | 60.7° |
| C05 | C03 | C17 | H24 | 59.8° | 59.3° |
| C05 | C03 | C17 | H25 | 179.8° | 179.3° |
| C11 | C15 | C20 | C12 | 179.2° | 179.9° |
| C11 | C15 | C12 | C08 | 53.7° | 17.2° |
| C11 | C15 | C12 | H12 | 173.2° | 102.9° |
| C11 | C15 | C12 | H13 | 65.8° | 137.3° |
| C11 | C15 | C20 | H30 | 180.0° | 89.9° |
| C11 | C15 | C20 | H31 | 60.0° | 150.0° |
| C11 | C15 | C20 | H32 | 60.0° | 30.1° |
| C05 | C08 | C12 | C15 | 68.7° | 49.8° |
| C05 | C08 | C12 | O01 | 119.6° | 119.8° |
| C05 | C08 | C12 | H8 | 119.3° | 119.7° |
| C05 | C08 | O01 | H8 | 120.8° | 120.4° |
| C08 | C05 | H3 | H4 | 119.2° | 120.5° |
| C05 | C08 | C12 | H12 | 171.8° | 70.3° |
| C05 | C08 | C12 | H13 | 50.8° | 169.9° |
| C05 | C08 | O01 | H56 | 180.0° | 180.0° |
| C20 | C15 | C12 | C08 | 125.5° | 162.9° |
| C20 | C15 | C12 | H12 | 6.0° | 77.0° |
| C20 | C15 | C12 | H13 | 115.0° | 42.8° |
| C15 | C20 | H30 | H31 | 120.0° | 120.0° |
| C15 | C20 | H30 | H32 | 120.0° | 120.0° |
| C15 | C20 | H31 | H32 | 120.0° | 120.0° |
| C15 | C12 | C08 | H12 | 119.5° | 120.1° |
| C15 | C12 | C08 | H13 | 119.5° | 120.1° |
| C15 | C12 | C08 | O01 | 171.7° | 169.6° |
| C15 | C12 | C08 | H8 | 50.6° | 69.9° |
| C15 | C12 | H12 | H13 | 121.5° | 119.7° |
| C12 | C15 | C20 | H30 | 0.8° | 90.0° |
| C12 | C15 | C20 | H31 | 119.2° | 30.1° |
| C12 | C15 | C20 | H32 | 120.8° | 150.0° |
| C12 | C08 | O01 | H8 | 120.3° | 120.5° |
| C12 | C08 | C05 | H3 | 76.4° | 51.5° |
| C12 | C08 | C05 | H4 | 164.1° | 172.1° |
| C08 | C12 | H12 | H13 | 121.5° | 119.8° |
| C12 | C08 | O01 | H56 | 61.1° | 60.9° |
| O01 | C08 | C05 | H3 | 42.8° | 68.3° |
| O01 | C08 | C05 | H4 | 76.7° | 52.3° |
| O01 | C08 | C12 | H12 | 52.2° | 49.5° |
| O01 | C08 | C12 | H13 | 68.8° | 70.4° |
| H1 | C04 | C06 | H5 | 53.3° | 68.2° |
| H1 | C04 | C06 | H6 | 66.9° | 52.3° |
| H2 | C04 | C06 | H5 | 173.7° | 171.2° |
| H2 | C04 | C06 | H6 | 53.5° | 68.2° |
| H3 | C05 | C08 | H8 | 164.3° | 171.2° |
| H4 | C05 | C08 | H8 | 44.8° | 68.2° |
| H5 | C06 | C09 | H9 | 36.8° | 50.4° |
| H5 | C06 | C09 | H10 | 153.5° | 170.0° |
| H6 | C06 | C09 | H9 | 83.4° | 70.3° |
| H6 | C06 | C09 | H10 | 33.3° | 49.3° |
| H8 | C08 | C12 | H12 | 68.9° | 170.0° |
| H8 | C08 | C12 | H13 | 170.1° | 50.2° |
| H8 | C08 | O01 | H56 | 59.3° | 59.5° |
| H14 | C13 | H15 | H16 | 120.0° | 119.9° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H20 | C16 | H21 | H22 | 120.0° | 119.9° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H26 | C18 | C22 | H33 | 179.3° | 174.7° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
| H30 | C20 | H31 | H32 | 120.0° | 120.0° |
| H34 | C25 | H35 | H36 | 120.0° | 119.9° |
| H37 | C27 | C30 | H42 | 137.1° | 179.9° |
| H38 | C28 | H39 | H40 | 120.0° | 120.0° |
| H41 | C29 | C31 | H43 | 128.1° | 179.9° |
| H42 | C30 | C32 | H44 | 179.8° | 179.9° |
| H43 | C31 | C34 | H45 | 179.7° | 179.9° |
| H46 | C36 | H47 | H48 | 120.0° | 120.0° |
| H49 | C37 | C40 | H54 | 170.6° | 179.9° |
| H50 | C38 | C41 | H55 | 151.7° | 180.0° |
| H51 | C39 | H52 | H53 | 120.0° | 120.0° |
| H54 | C40 | C41 | H55 | 179.9° | 180.0° |
