KNH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.57Å | |
| C26 | C25 | sing | 1.53Å | 1.57Å | |
| C35 | C27 | sing | 1.53Å | 1.55Å | |
| C43 | C16 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.51Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C21 | C20 | sing | 1.51Å | 1.56Å | |
| C18 | C17 | sing | 1.52Å | 1.57Å | |
| C18 | C19 | sing | 1.54Å | 1.56Å | |
| C25 | C36 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C16 | C15 | sing | 1.50Å | 1.55Å | |
| C28 | O01 | sing | 1.34Å | 1.43Å | |
| C28 | O31 | doub | 1.20Å | 1.19Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | doub | 1.32Å | 1.36Å | |
| C19 | C20 | sing | 1.51Å | 1.56Å | |
| C20 | O30 | doub | 1.21Å | 1.19Å | |
| O01 | C02 | sing | 1.45Å | 1.44Å | |
| C32 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C14 | C13 | sing | 1.47Å | 1.55Å | |
| C39 | O38 | sing | 1.43Å | 1.42Å | |
| O38 | C37 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | doub | 1.32Å | 1.36Å | |
| C03 | O29 | doub | 1.21Å | 1.19Å | |
| C03 | N04 | sing | 1.36Å | 1.48Å | |
| C37 | C12 | sing | 1.51Å | 1.55Å | |
| C12 | C11 | sing | 1.51Å | 1.57Å | |
| N04 | C05 | sing | 1.48Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| O42 | C06 | sing | 1.43Å | 1.41Å | |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| C09 | O40 | sing | 1.43Å | 1.41Å | |
| C08 | O41 | sing | 1.43Å | 1.41Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.10Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.08Å | 1.10Å | |
| C06 | H34 | sing | 1.09Å | 1.10Å | |
| C02 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C05 | H38 | sing | 1.09Å | 1.10Å | |
| C05 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.08Å | |
| C44 | H47 | sing | 1.09Å | 1.10Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| N04 | H58 | sing | 0.97Å | 1.00Å | |
| O41 | H59 | sing | 0.97Å | 0.95Å | |
| O40 | H60 | sing | 0.97Å | 0.95Å | |
| O42 | H61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | C43 | C16 | 112.2° | 109.4° |
| C44 | C43 | H40 | 108.8° | 109.5° |
| C44 | C43 | H41 | 108.8° | 109.4° |
| C43 | C44 | H47 | 109.5° | 109.5° |
| C43 | C44 | H48 | 109.4° | 109.5° |
| C43 | C44 | H49 | 109.4° | 109.5° |
| C27 | C26 | C25 | 115.6° | 110.9° |
| C26 | C27 | C35 | 111.0° | 110.1° |
| C26 | C27 | C28 | 113.4° | 109.0° |
| C27 | C26 | H13 | 107.9° | 109.0° |
| C27 | C26 | H14 | 107.9° | 109.6° |
| C26 | C27 | H18 | 107.0° | 110.2° |
| C26 | C25 | C24 | 110.5° | 109.0° |
| C26 | C25 | C36 | 111.9° | 109.8° |
| C25 | C26 | H13 | 107.9° | 109.3° |
| C25 | C26 | H14 | 107.9° | 109.4° |
| C26 | C25 | H15 | 107.8° | 110.5° |
| C35 | C27 | C28 | 111.0° | 108.8° |
| C35 | C27 | H18 | 107.1° | 109.8° |
| C27 | C35 | H23 | 109.5° | 109.5° |
| C27 | C35 | H24 | 109.4° | 109.5° |
| C27 | C35 | H25 | 109.5° | 109.5° |
| C43 | C16 | C17 | 110.9° | 110.3° |
| C43 | C16 | C15 | 110.1° | 110.2° |
| C43 | C16 | H29 | 108.1° | 109.2° |
| C16 | C43 | H40 | 108.8° | 109.5° |
| C16 | C43 | H41 | 108.8° | 109.5° |
| C27 | C28 | O01 | 120.3° | 119.3° |
| C27 | C28 | O31 | 119.4° | 119.8° |
| C28 | C27 | H18 | 107.0° | 109.0° |
| C21 | C22 | C23 | 113.0° | 109.8° |
| C22 | C21 | C20 | 113.4° | 109.7° |
| C22 | C21 | H7 | 108.5° | 109.8° |
| C22 | C21 | H8 | 108.5° | 109.2° |
| C21 | C22 | H9 | 108.5° | 109.2° |
| C21 | C22 | H10 | 108.6° | 109.7° |
| C22 | C23 | C24 | 112.8° | 109.7° |
| C23 | C22 | H9 | 108.6° | 109.2° |
| C23 | C22 | H10 | 108.6° | 109.5° |
| C22 | C23 | H16 | 108.6° | 109.4° |
| C22 | C23 | H17 | 108.7° | 109.4° |
| C25 | C24 | C23 | 112.8° | 109.6° |
| C24 | C25 | C36 | 110.6° | 108.9° |
| C25 | C24 | H11 | 108.6° | 109.3° |
| C25 | C24 | H12 | 108.6° | 109.1° |
| C24 | C25 | H15 | 107.9° | 109.2° |
| C23 | C24 | H11 | 108.6° | 109.7° |
| C23 | C24 | H12 | 108.6° | 109.6° |
| C24 | C23 | H16 | 108.6° | 109.6° |
| C24 | C23 | H17 | 108.6° | 109.4° |
| C21 | C20 | C19 | 119.9° | 120.2° |
| C21 | C20 | O30 | 120.2° | 119.9° |
| C20 | C21 | H7 | 108.5° | 109.6° |
| C20 | C21 | H8 | 108.5° | 109.2° |
| C17 | C18 | C19 | 113.0° | 109.7° |
| C18 | C17 | C16 | 112.7° | 111.7° |
| C18 | C17 | H5 | 108.7° | 109.1° |
| C18 | C17 | H6 | 108.7° | 109.6° |
| C17 | C18 | H30 | 108.6° | 110.8° |
| C17 | C18 | H31 | 108.6° | 110.3° |
| C18 | C19 | C20 | 112.3° | 108.7° |
| C19 | C18 | H30 | 108.6° | 107.6° |
| C19 | C18 | H31 | 108.6° | 107.8° |
| C18 | C19 | H32 | 108.8° | 108.8° |
| C18 | C19 | H33 | 108.8° | 110.0° |
| C36 | C25 | H15 | 108.0° | 109.5° |
| C25 | C36 | H19 | 109.5° | 109.5° |
| C25 | C36 | H20 | 109.5° | 109.4° |
| C25 | C36 | H21 | 109.5° | 109.4° |
| C17 | C16 | C15 | 111.5° | 109.6° |
| C16 | C17 | H5 | 108.6° | 109.1° |
| C16 | C17 | H6 | 108.7° | 108.9° |
| C17 | C16 | H29 | 107.9° | 108.6° |
| C16 | C15 | C14 | 121.0° | 123.2° |
| C16 | C15 | H4 | 119.5° | 118.5° |
| C15 | C16 | H29 | 108.1° | 108.9° |
| O01 | C28 | O31 | 120.3° | 120.9° |
| C28 | O01 | C02 | 115.3° | 118.6° |
| C34 | C33 | C32 | 112.1° | 109.5° |
| C34 | C33 | H44 | 108.8° | 109.5° |
| C34 | C33 | H45 | 108.8° | 109.5° |
| C33 | C34 | H52 | 109.5° | 109.5° |
| C33 | C34 | H53 | 109.4° | 109.5° |
| C33 | C34 | H54 | 109.5° | 109.5° |
| C33 | C32 | C02 | 112.0° | 109.5° |
| C33 | C32 | H42 | 108.8° | 109.4° |
| C33 | C32 | H43 | 108.8° | 109.5° |
| C32 | C33 | H44 | 108.8° | 109.5° |
| C32 | C33 | H45 | 108.8° | 109.4° |
| C15 | C14 | C13 | 121.1° | 123.0° |
| C14 | C15 | H4 | 119.5° | 118.3° |
| C15 | C14 | H46 | 119.5° | 117.7° |
| C19 | C20 | O30 | 119.9° | 120.0° |
| C20 | C19 | H32 | 108.8° | 109.3° |
| C20 | C19 | H33 | 108.8° | 109.8° |
| O01 | C02 | C32 | 108.2° | 109.3° |
| O01 | C02 | C03 | 108.5° | 109.0° |
| O01 | C02 | H35 | 110.3° | 110.1° |
| C32 | C02 | C03 | 112.6° | 109.4° |
| C32 | C02 | H35 | 108.6° | 109.6° |
| C02 | C32 | H42 | 108.8° | 109.5° |
| C02 | C32 | H43 | 108.8° | 109.5° |
| C02 | C03 | O29 | 120.2° | 119.8° |
| C02 | C03 | N04 | 119.7° | 119.7° |
| C03 | C02 | H35 | 108.6° | 109.4° |
| C14 | C13 | C12 | 120.2° | 122.1° |
| C14 | C13 | H3 | 120.0° | 119.4° |
| C13 | C14 | H46 | 119.5° | 119.3° |
| C39 | O38 | C37 | 113.8° | 114.0° |
| O38 | C39 | H55 | 109.5° | 109.5° |
| O38 | C39 | H56 | 109.5° | 109.5° |
| O38 | C39 | H57 | 109.4° | 109.5° |
| O38 | C37 | C12 | 108.7° | 109.5° |
| O38 | C37 | H50 | 109.7° | 109.4° |
| O38 | C37 | H51 | 109.7° | 109.4° |
| C13 | C12 | C37 | 120.0° | 121.1° |
| C13 | C12 | C11 | 119.9° | 119.6° |
| C12 | C13 | H3 | 119.9° | 118.4° |
| O29 | C03 | N04 | 120.2° | 120.5° |
| C03 | N04 | C05 | 119.9° | 117.0° |
| C03 | N04 | H58 | 120.0° | 121.9° |
| C37 | C12 | C11 | 120.1° | 119.2° |
| C12 | C37 | H50 | 109.6° | 109.5° |
| C12 | C37 | H51 | 109.6° | 109.5° |
| C12 | C11 | C10 | 114.6° | 108.9° |
| C12 | C11 | H36 | 108.2° | 109.2° |
| C12 | C11 | H37 | 108.2° | 109.3° |
| N04 | C05 | C06 | 110.6° | 109.3° |
| N04 | C05 | H38 | 109.2° | 109.2° |
| N04 | C05 | H39 | 109.2° | 110.0° |
| C05 | N04 | H58 | 120.1° | 121.1° |
| C11 | C10 | C09 | 112.0° | 110.3° |
| C11 | C10 | H1 | 108.8° | 109.4° |
| C11 | C10 | H2 | 108.9° | 109.4° |
| C10 | C11 | H36 | 108.2° | 109.9° |
| C10 | C11 | H37 | 108.2° | 109.6° |
| C05 | C06 | C07 | 113.4° | 109.4° |
| C05 | C06 | O42 | 107.6° | 109.5° |
| C05 | C06 | H34 | 108.7° | 109.3° |
| C06 | C05 | H38 | 109.2° | 109.4° |
| C06 | C05 | H39 | 109.2° | 109.6° |
| C10 | C09 | C08 | 113.7° | 109.0° |
| C10 | C09 | O40 | 108.5° | 109.9° |
| C09 | C10 | H1 | 108.8° | 109.0° |
| C09 | C10 | H2 | 108.8° | 109.2° |
| C10 | C09 | H26 | 108.3° | 109.1° |
| C06 | C07 | C08 | 111.3° | 109.8° |
| C07 | C06 | O42 | 107.7° | 109.6° |
| C06 | C07 | H27 | 109.0° | 109.2° |
| C06 | C07 | H28 | 109.0° | 109.0° |
| C07 | C06 | H34 | 108.7° | 109.7° |
| C07 | C08 | C09 | 113.8° | 110.4° |
| C07 | C08 | O41 | 107.4° | 109.6° |
| C07 | C08 | H22 | 108.6° | 109.3° |
| C08 | C07 | H27 | 109.0° | 109.6° |
| C08 | C07 | H28 | 109.0° | 109.7° |
| O42 | C06 | H34 | 110.8° | 109.4° |
| C06 | O42 | H61 | 109.5° | 114.1° |
| C08 | C09 | O40 | 107.8° | 110.1° |
| C09 | C08 | O41 | 107.7° | 109.2° |
| C09 | C08 | H22 | 108.6° | 109.2° |
| C08 | C09 | H26 | 108.2° | 109.2° |
| O40 | C09 | H26 | 110.4° | 109.5° |
| C09 | O40 | H60 | 109.5° | 114.0° |
| O41 | C08 | H22 | 110.7° | 109.1° |
| C08 | O41 | H59 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 108.3° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H11 | C24 | H12 | 109.5° | 109.6° |
| H13 | C26 | H14 | 109.5° | 108.6° |
| H16 | C23 | H17 | 109.5° | 109.4° |
| H19 | C36 | H20 | 109.4° | 109.5° |
| H19 | C36 | H21 | 109.5° | 109.5° |
| H20 | C36 | H21 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H25 | 109.5° | 109.4° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H27 | C07 | H28 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.4° | 110.6° |
| H32 | C19 | H33 | 109.4° | 110.2° |
| H36 | C11 | H37 | 109.4° | 109.9° |
| H38 | C05 | H39 | 109.5° | 109.2° |
| H40 | C43 | H41 | 109.5° | 109.5° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| H44 | C33 | H45 | 109.5° | 109.5° |
| H47 | C44 | H48 | 109.5° | 109.5° |
| H47 | C44 | H49 | 109.5° | 109.5° |
| H48 | C44 | H49 | 109.5° | 109.4° |
| H50 | C37 | H51 | 109.5° | 109.5° |
| H52 | C34 | H53 | 109.5° | 109.5° |
| H52 | C34 | H54 | 109.4° | 109.4° |
| H53 | C34 | H54 | 109.5° | 109.5° |
| H55 | C39 | H56 | 109.5° | 109.4° |
| H55 | C39 | H57 | 109.5° | 109.5° |
| H56 | C39 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | C43 | C16 | H40 | 120.4° | 120.0° |
| C44 | C43 | C16 | H41 | 120.4° | 119.9° |
| C44 | C43 | C16 | C17 | 80.5° | 68.6° |
| C44 | C43 | C16 | C15 | 43.5° | 170.2° |
| C44 | C43 | C16 | H29 | 161.4° | 50.7° |
| C44 | C43 | H40 | H41 | 118.8° | 120.0° |
| C43 | C44 | H47 | H48 | 120.0° | 120.0° |
| C43 | C44 | H47 | H49 | 120.0° | 120.0° |
| C43 | C44 | H48 | H49 | 120.0° | 120.0° |
| C27 | C26 | C25 | H13 | 120.9° | 120.2° |
| C27 | C26 | C25 | H14 | 120.9° | 121.0° |
| C26 | C27 | C35 | C28 | 127.1° | 119.3° |
| C26 | C27 | C35 | H18 | 116.4° | 121.5° |
| C26 | C27 | C28 | H18 | 117.7° | 120.3° |
| C27 | C26 | C25 | C24 | 163.1° | 163.3° |
| C27 | C26 | C25 | C36 | 73.2° | 77.5° |
| C26 | C27 | C28 | O01 | 53.3° | 76.1° |
| C26 | C27 | C28 | O31 | 126.8° | 103.7° |
| C27 | C26 | H13 | H14 | 117.2° | 119.3° |
| C27 | C26 | C25 | H15 | 45.5° | 43.3° |
| C26 | C27 | C35 | H23 | 180.0° | 60.0° |
| C26 | C27 | C35 | H24 | 60.0° | 180.0° |
| C26 | C27 | C35 | H25 | 60.0° | 60.0° |
| C25 | C26 | C27 | C35 | 102.8° | 74.6° |
| C25 | C26 | C27 | C28 | 22.9° | 166.1° |
| C26 | C25 | C24 | C36 | 124.5° | 119.7° |
| C26 | C25 | C24 | H15 | 117.6° | 120.8° |
| C26 | C25 | C24 | C23 | 120.2° | 93.3° |
| C26 | C25 | C36 | H15 | 118.5° | 121.5° |
| C26 | C25 | C24 | H11 | 0.3° | 26.9° |
| C26 | C25 | C24 | H12 | 119.4° | 146.8° |
| C25 | C26 | H13 | H14 | 117.2° | 119.3° |
| C25 | C26 | C27 | H18 | 140.6° | 46.6° |
| C26 | C25 | C36 | H19 | 180.0° | 59.3° |
| C26 | C25 | C36 | H20 | 60.0° | 60.7° |
| C26 | C25 | C36 | H21 | 60.0° | 179.3° |
| C35 | C27 | C28 | H18 | 116.5° | 119.7° |
| C35 | C27 | C28 | O01 | 179.0° | 43.8° |
| C35 | C27 | C28 | O31 | 1.1° | 136.3° |
| C35 | C27 | C26 | H13 | 136.3° | 165.0° |
| C35 | C27 | C26 | H14 | 18.1° | 46.2° |
| C27 | C35 | H23 | H24 | 120.0° | 120.0° |
| C27 | C35 | H23 | H25 | 120.0° | 119.9° |
| C27 | C35 | H24 | H25 | 120.0° | 120.0° |
| C43 | C16 | C17 | C18 | 47.3° | 19.5° |
| C43 | C16 | C17 | C15 | 123.2° | 121.6° |
| C43 | C16 | C17 | H29 | 118.3° | 119.6° |
| C43 | C16 | C15 | H29 | 118.0° | 119.8° |
| C43 | C16 | C15 | C14 | 142.5° | 58.7° |
| C43 | C16 | C15 | H4 | 37.5° | 121.1° |
| C43 | C16 | C17 | H5 | 73.2° | 101.2° |
| C43 | C16 | C17 | H6 | 167.8° | 140.8° |
| C16 | C43 | H40 | H41 | 118.8° | 120.0° |
| C16 | C43 | C44 | H47 | 180.0° | 55.4° |
| C16 | C43 | C44 | H48 | 60.0° | 64.6° |
| C16 | C43 | C44 | H49 | 60.0° | 175.4° |
| C27 | C28 | O01 | O31 | 179.9° | 179.9° |
| C27 | C28 | O01 | C02 | 140.9° | 179.2° |
| C28 | C27 | C26 | H13 | 98.0° | 45.8° |
| C28 | C27 | C26 | H14 | 143.8° | 73.0° |
| C28 | C27 | C35 | H23 | 52.9° | 179.3° |
| C28 | C27 | C35 | H24 | 67.1° | 60.7° |
| C28 | C27 | C35 | H25 | 172.9° | 59.4° |
| C21 | C22 | C23 | H9 | 120.5° | 119.7° |
| C21 | C22 | C23 | H10 | 120.5° | 120.5° |
| C21 | C22 | C23 | C24 | 116.4° | 168.8° |
| C22 | C21 | C20 | H7 | 120.6° | 120.6° |
| C22 | C21 | C20 | H8 | 120.6° | 119.6° |
| C22 | C21 | C20 | C19 | 123.2° | 148.3° |
| C22 | C21 | C20 | O30 | 57.1° | 31.7° |
| C22 | C21 | H7 | H8 | 118.2° | 119.8° |
| C21 | C22 | H9 | H10 | 118.4° | 120.1° |
| C21 | C22 | C23 | H16 | 4.1° | 71.0° |
| C21 | C22 | C23 | H17 | 123.1° | 48.8° |
| C22 | C23 | C24 | C25 | 124.6° | 163.2° |
| C22 | C23 | C24 | H16 | 120.5° | 120.2° |
| C22 | C23 | C24 | H17 | 120.5° | 120.0° |
| C23 | C22 | C21 | C20 | 75.8° | 160.2° |
| C23 | C22 | C21 | H7 | 44.8° | 39.7° |
| C23 | C22 | C21 | H8 | 163.7° | 80.2° |
| C23 | C22 | H9 | H10 | 118.4° | 119.9° |
| C22 | C23 | C24 | H11 | 4.1° | 43.2° |
| C22 | C23 | C24 | H12 | 114.9° | 77.2° |
| C22 | C23 | H16 | H17 | 118.5° | 119.8° |
| C25 | C24 | C23 | H11 | 120.5° | 120.0° |
| C25 | C24 | C23 | H12 | 120.5° | 119.6° |
| C24 | C25 | C36 | H15 | 117.8° | 119.3° |
| C25 | C24 | H11 | H12 | 118.5° | 119.5° |
| C24 | C25 | C26 | H13 | 42.2° | 76.6° |
| C24 | C25 | C26 | H14 | 76.0° | 42.3° |
| C25 | C24 | C23 | H16 | 4.1° | 43.0° |
| C25 | C24 | C23 | H17 | 114.9° | 76.8° |
| C24 | C25 | C36 | H19 | 56.3° | 59.9° |
| C24 | C25 | C36 | H20 | 63.6° | 180.0° |
| C24 | C25 | C36 | H21 | 176.4° | 60.1° |
| C23 | C24 | C25 | C36 | 115.4° | 147.0° |
| C24 | C23 | C22 | H9 | 123.1° | 49.1° |
| C24 | C23 | C22 | H10 | 4.1° | 70.7° |
| C23 | C24 | H11 | H12 | 118.5° | 120.4° |
| C23 | C24 | C25 | H15 | 2.6° | 27.5° |
| C24 | C23 | H16 | H17 | 118.5° | 119.9° |
| C21 | C20 | C19 | C18 | 45.9° | 74.7° |
| C21 | C20 | C19 | O30 | 179.8° | 180.0° |
| C20 | C21 | H7 | H8 | 118.2° | 119.7° |
| C20 | C21 | C22 | H9 | 44.8° | 80.1° |
| C20 | C21 | C22 | H10 | 163.7° | 39.8° |
| C21 | C20 | C19 | H32 | 166.3° | 166.8° |
| C21 | C20 | C19 | H33 | 74.6° | 45.8° |
| C17 | C18 | C19 | H30 | 120.6° | 120.6° |
| C17 | C18 | C19 | H31 | 120.5° | 120.1° |
| C18 | C17 | C16 | H5 | 120.5° | 120.7° |
| C18 | C17 | C16 | H6 | 120.5° | 121.2° |
| C18 | C17 | C16 | C15 | 170.5° | 102.0° |
| C17 | C18 | C19 | C20 | 125.5° | 176.6° |
| C18 | C17 | H5 | H6 | 118.5° | 119.3° |
| C18 | C17 | C16 | H29 | 71.0° | 139.1° |
| C17 | C18 | H30 | H31 | 118.4° | 122.6° |
| C17 | C18 | C19 | H32 | 5.1° | 57.7° |
| C17 | C18 | C19 | H33 | 114.0° | 63.1° |
| C19 | C18 | C17 | C16 | 129.4° | 168.3° |
| C18 | C19 | C20 | H32 | 120.4° | 118.6° |
| C18 | C19 | C20 | H33 | 120.5° | 120.4° |
| C18 | C19 | C20 | O30 | 133.9° | 105.3° |
| C19 | C18 | C17 | H5 | 110.2° | 71.1° |
| C19 | C18 | C17 | H6 | 8.9° | 47.5° |
| C19 | C18 | H30 | H31 | 118.4° | 117.5° |
| C18 | C19 | H32 | H33 | 118.7° | 120.7° |
| C36 | C25 | C24 | H11 | 124.2° | 92.8° |
| C36 | C25 | C24 | H12 | 5.1° | 27.0° |
| C36 | C25 | C26 | H13 | 165.9° | 42.6° |
| C36 | C25 | C26 | H14 | 47.7° | 161.5° |
| C25 | C36 | H19 | H20 | 120.0° | 120.0° |
| C25 | C36 | H19 | H21 | 120.0° | 120.0° |
| C25 | C36 | H20 | H21 | 120.0° | 119.9° |
| C17 | C16 | C15 | H29 | 118.4° | 118.6° |
| C17 | C16 | C15 | C14 | 93.9° | 179.6° |
| C17 | C16 | C15 | H4 | 86.1° | 0.5° |
| C16 | C17 | H5 | H6 | 118.5° | 118.4° |
| C16 | C17 | C18 | H30 | 110.1° | 49.7° |
| C16 | C17 | C18 | H31 | 8.8° | 73.1° |
| C17 | C16 | C43 | H40 | 39.9° | 51.4° |
| C17 | C16 | C43 | H41 | 159.1° | 171.5° |
| C16 | C15 | C14 | H4 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.3° | 0.2° |
| C15 | C16 | C17 | H5 | 50.0° | 137.3° |
| C15 | C16 | C17 | H6 | 69.1° | 19.2° |
| C15 | C16 | C43 | H40 | 163.8° | 69.8° |
| C15 | C16 | C43 | H41 | 77.0° | 50.3° |
| C16 | C15 | C14 | H46 | 179.7° | 178.8° |
| C28 | O01 | C02 | C32 | 155.0° | 98.2° |
| C28 | O01 | C02 | C03 | 82.6° | 142.2° |
| O01 | C28 | C27 | H18 | 64.4° | 163.5° |
| C28 | O01 | C02 | H35 | 36.3° | 22.2° |
| O31 | C28 | O01 | C02 | 38.9° | 0.6° |
| O31 | C28 | C27 | H18 | 115.5° | 16.6° |
| C34 | C33 | C32 | H44 | 120.4° | 120.1° |
| C34 | C33 | C32 | H45 | 120.4° | 120.0° |
| C34 | C33 | C32 | C02 | 141.0° | 180.0° |
| C34 | C33 | C32 | H42 | 20.7° | 60.0° |
| C34 | C33 | C32 | H43 | 98.6° | 60.0° |
| C34 | C33 | H44 | H45 | 118.8° | 120.0° |
| C33 | C34 | H52 | H53 | 120.0° | 120.0° |
| C33 | C34 | H52 | H54 | 120.0° | 120.0° |
| C33 | C34 | H53 | H54 | 120.0° | 120.0° |
| C33 | C32 | C02 | O01 | 100.2° | 65.7° |
| C33 | C32 | C02 | H42 | 120.4° | 120.0° |
| C33 | C32 | C02 | H43 | 120.4° | 120.0° |
| C33 | C32 | C02 | C03 | 139.9° | 175.0° |
| C33 | C32 | C02 | H35 | 19.5° | 55.0° |
| C33 | C32 | H42 | H43 | 118.9° | 120.0° |
| C32 | C33 | H44 | H45 | 118.8° | 120.0° |
| C32 | C33 | C34 | H52 | 180.0° | 60.0° |
| C32 | C33 | C34 | H53 | 60.0° | 60.0° |
| C32 | C33 | C34 | H54 | 60.0° | 180.0° |
| C15 | C14 | C13 | H46 | 180.0° | 178.6° |
| C15 | C14 | C13 | C12 | 133.9° | 158.3° |
| C15 | C14 | C13 | H3 | 46.1° | 20.2° |
| C14 | C15 | C16 | H29 | 24.5° | 61.0° |
| C19 | C20 | C21 | H7 | 116.3° | 27.7° |
| C19 | C20 | C21 | H8 | 2.6° | 92.1° |
| C20 | C19 | C18 | H30 | 113.9° | 56.0° |
| C20 | C19 | C18 | H31 | 5.0° | 63.3° |
| C20 | C19 | H32 | H33 | 118.7° | 120.8° |
| O30 | C20 | C21 | H7 | 63.5° | 152.3° |
| O30 | C20 | C21 | H8 | 177.6° | 87.9° |
| O30 | C20 | C19 | H32 | 13.5° | 13.3° |
| O30 | C20 | C19 | H33 | 105.6° | 134.2° |
| O01 | C02 | C32 | C03 | 119.9° | 119.3° |
| O01 | C02 | C32 | H35 | 119.7° | 120.7° |
| O01 | C02 | C03 | H35 | 119.9° | 120.5° |
| O01 | C02 | C03 | O29 | 30.3° | 0.3° |
| O01 | C02 | C03 | N04 | 149.5° | 180.0° |
| O01 | C02 | C32 | H42 | 139.4° | 54.3° |
| O01 | C02 | C32 | H43 | 20.1° | 174.3° |
| C32 | C02 | C03 | H35 | 120.4° | 120.1° |
| C32 | C02 | C03 | O29 | 89.5° | 119.8° |
| C32 | C02 | C03 | N04 | 90.8° | 60.5° |
| C02 | C32 | H42 | H43 | 118.8° | 120.0° |
| C02 | C32 | C33 | H44 | 98.6° | 59.9° |
| C02 | C32 | C33 | H45 | 20.6° | 60.0° |
| C02 | C03 | O29 | N04 | 179.7° | 179.7° |
| C02 | C03 | N04 | C05 | 179.9° | 179.7° |
| C03 | C02 | C32 | H42 | 19.5° | 65.0° |
| C03 | C02 | C32 | H43 | 99.8° | 55.0° |
| C02 | C03 | N04 | H58 | 0.1° | 0.7° |
| C14 | C13 | C12 | H3 | 180.0° | 178.5° |
| C14 | C13 | C12 | C37 | 0.1° | 4.4° |
| C14 | C13 | C12 | C11 | 179.8° | 175.7° |
| C13 | C14 | C15 | H4 | 179.7° | 179.9° |
| C39 | O38 | C37 | C12 | 173.7° | 180.0° |
| C39 | O38 | C37 | H50 | 53.8° | 60.0° |
| C39 | O38 | C37 | H51 | 66.4° | 60.0° |
| O38 | C39 | H55 | H56 | 120.0° | 120.0° |
| O38 | C39 | H55 | H57 | 120.0° | 120.0° |
| O38 | C39 | H56 | H57 | 120.0° | 120.0° |
| O38 | C37 | C12 | C13 | 97.8° | 125.5° |
| O38 | C37 | C12 | H50 | 119.9° | 120.0° |
| O38 | C37 | C12 | H51 | 119.9° | 120.0° |
| O38 | C37 | C12 | C11 | 82.3° | 54.5° |
| O38 | C37 | H50 | H51 | 120.3° | 119.9° |
| C37 | O38 | C39 | H55 | 180.0° | 180.0° |
| C37 | O38 | C39 | H56 | 60.0° | 60.0° |
| C37 | O38 | C39 | H57 | 60.0° | 60.0° |
| C13 | C12 | C37 | C11 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 178.1° | 119.7° |
| C13 | C12 | C11 | H36 | 61.1° | 0.3° |
| C13 | C12 | C11 | H37 | 57.3° | 120.6° |
| C12 | C13 | C14 | H46 | 46.1° | 23.0° |
| C13 | C12 | C37 | H50 | 142.3° | 114.6° |
| C13 | C12 | C37 | H51 | 22.1° | 5.5° |
| O29 | C03 | N04 | C05 | 0.1° | 0.6° |
| O29 | C03 | C02 | H35 | 150.2° | 120.2° |
| O29 | C03 | N04 | H58 | 179.9° | 179.0° |
| C03 | N04 | C05 | H58 | 180.0° | 179.7° |
| C03 | N04 | C05 | C06 | 125.9° | 97.0° |
| N04 | C03 | C02 | H35 | 29.6° | 59.6° |
| C03 | N04 | C05 | H38 | 5.7° | 143.3° |
| C03 | N04 | C05 | H39 | 113.9° | 23.4° |
| C37 | C12 | C11 | C10 | 2.0° | 60.3° |
| C37 | C12 | C13 | H3 | 179.9° | 177.1° |
| C37 | C12 | C11 | H36 | 118.7° | 179.7° |
| C37 | C12 | C11 | H37 | 122.8° | 59.4° |
| C12 | C37 | H50 | H51 | 120.3° | 120.1° |
| C12 | C11 | C10 | H36 | 120.8° | 119.6° |
| C12 | C11 | C10 | H37 | 120.8° | 119.5° |
| C12 | C11 | C10 | C09 | 152.5° | 151.0° |
| C12 | C11 | C10 | H1 | 87.1° | 89.1° |
| C12 | C11 | C10 | H2 | 32.2° | 30.8° |
| C11 | C12 | C13 | H3 | 0.2° | 2.9° |
| C12 | C11 | H36 | H37 | 117.7° | 119.9° |
| C11 | C12 | C37 | H50 | 37.6° | 65.4° |
| C11 | C12 | C37 | H51 | 157.8° | 174.5° |
| N04 | C05 | C06 | H38 | 120.2° | 119.5° |
| N04 | C05 | C06 | H39 | 120.2° | 120.7° |
| N04 | C05 | C06 | C07 | 44.9° | 112.5° |
| N04 | C05 | C06 | O42 | 74.1° | 7.7° |
| N04 | C05 | C06 | H34 | 165.9° | 127.4° |
| N04 | C05 | H38 | H39 | 119.5° | 120.3° |
| C11 | C10 | C09 | H1 | 120.3° | 120.1° |
| C11 | C10 | C09 | H2 | 120.4° | 120.3° |
| C11 | C10 | C09 | C08 | 116.8° | 175.5° |
| C11 | C10 | C09 | O40 | 3.1° | 63.7° |
| C11 | C10 | H1 | H2 | 118.9° | 119.8° |
| C11 | C10 | C09 | H26 | 122.9° | 56.3° |
| C10 | C11 | H36 | H37 | 117.7° | 120.6° |
| C05 | C06 | C07 | O42 | 119.0° | 120.0° |
| C05 | C06 | C07 | H34 | 121.0° | 119.8° |
| C05 | C06 | C07 | C08 | 170.4° | 167.6° |
| C05 | C06 | O42 | H34 | 118.6° | 119.7° |
| C05 | C06 | C07 | H27 | 50.2° | 47.4° |
| C05 | C06 | C07 | H28 | 69.3° | 72.2° |
| C06 | C05 | H38 | H39 | 119.5° | 120.1° |
| C06 | C05 | N04 | H58 | 54.1° | 83.3° |
| C05 | C06 | O42 | H61 | 180.0° | 60.0° |
| C10 | C09 | C08 | C07 | 67.8° | 132.4° |
| C10 | C09 | C08 | O40 | 120.3° | 120.6° |
| C10 | C09 | C08 | H26 | 120.3° | 119.2° |
| C10 | C09 | O40 | H26 | 118.5° | 119.8° |
| C10 | C09 | C08 | O41 | 173.3° | 107.0° |
| C09 | C10 | H1 | H2 | 118.9° | 119.4° |
| C10 | C09 | C08 | H22 | 53.3° | 12.3° |
| C09 | C10 | C11 | H36 | 31.8° | 31.4° |
| C09 | C10 | C11 | H37 | 86.7° | 89.5° |
| C10 | C09 | O40 | H60 | 180.0° | 60.0° |
| C06 | C07 | C08 | H27 | 120.3° | 120.0° |
| C06 | C07 | C08 | H28 | 120.3° | 119.8° |
| C07 | C06 | O42 | H34 | 118.8° | 120.3° |
| C06 | C07 | C08 | C09 | 173.4° | 174.3° |
| C06 | C07 | C08 | O41 | 54.3° | 65.3° |
| C06 | C07 | C08 | H22 | 65.5° | 54.2° |
| C06 | C07 | H27 | H28 | 119.2° | 119.3° |
| C07 | C06 | C05 | H38 | 75.2° | 128.0° |
| C07 | C06 | C05 | H39 | 165.1° | 8.2° |
| C07 | C06 | O42 | H61 | 57.4° | 180.0° |
| C08 | C07 | C06 | O42 | 51.5° | 72.3° |
| C07 | C08 | C09 | O41 | 118.9° | 120.6° |
| C07 | C08 | C09 | H22 | 121.1° | 120.1° |
| C07 | C08 | C09 | O40 | 52.5° | 11.8° |
| C07 | C08 | O41 | H22 | 118.4° | 119.7° |
| C07 | C08 | C09 | H26 | 171.9° | 108.4° |
| C08 | C07 | H27 | H28 | 119.1° | 120.4° |
| C08 | C07 | C06 | H34 | 68.6° | 47.8° |
| C07 | C08 | O41 | H59 | 180.0° | 59.7° |
| O42 | C06 | C07 | H27 | 68.8° | 167.5° |
| O42 | C06 | C07 | H28 | 171.8° | 47.8° |
| O42 | C06 | C05 | H38 | 165.7° | 111.9° |
| O42 | C06 | C05 | H39 | 46.0° | 128.3° |
| C08 | C09 | O40 | H26 | 118.0° | 120.1° |
| C09 | C08 | O41 | H22 | 118.6° | 119.3° |
| C08 | C09 | C10 | H1 | 3.5° | 55.4° |
| C08 | C09 | C10 | H2 | 122.8° | 64.2° |
| C09 | C08 | C07 | H27 | 66.3° | 65.7° |
| C09 | C08 | C07 | H28 | 53.1° | 54.5° |
| C09 | C08 | O41 | H59 | 57.1° | 179.2° |
| C08 | C09 | O40 | H60 | 56.5° | 179.9° |
| O40 | C09 | C08 | O41 | 66.4° | 132.4° |
| O40 | C09 | C10 | H1 | 123.4° | 176.1° |
| O40 | C09 | C10 | H2 | 117.3° | 56.5° |
| O40 | C09 | C08 | H22 | 173.6° | 108.3° |
| O41 | C08 | C09 | H26 | 53.0° | 12.2° |
| O41 | C08 | C07 | H27 | 174.6° | 54.7° |
| O41 | C08 | C07 | H28 | 66.0° | 174.9° |
| H1 | C10 | C09 | H26 | 116.8° | 63.9° |
| H1 | C10 | C11 | H36 | 152.1° | 151.2° |
| H1 | C10 | C11 | H37 | 33.6° | 30.4° |
| H2 | C10 | C09 | H26 | 2.5° | 176.6° |
| H2 | C10 | C11 | H36 | 88.6° | 88.8° |
| H2 | C10 | C11 | H37 | 152.9° | 150.3° |
| H3 | C13 | C14 | H46 | 133.9° | 158.4° |
| H4 | C15 | C16 | H29 | 155.5° | 119.1° |
| H4 | C15 | C14 | H46 | 0.3° | 1.3° |
| H5 | C17 | C16 | H29 | 168.6° | 18.4° |
| H5 | C17 | C18 | H30 | 10.4° | 170.3° |
| H5 | C17 | C18 | H31 | 129.3° | 47.5° |
| H6 | C17 | C16 | H29 | 49.5° | 99.6° |
| H6 | C17 | C18 | H30 | 129.4° | 71.2° |
| H6 | C17 | C18 | H31 | 111.7° | 166.0° |
| H7 | C21 | C22 | H9 | 165.3° | 159.4° |
| H7 | C21 | C22 | H10 | 75.7° | 80.7° |
| H8 | C21 | C22 | H9 | 75.8° | 39.5° |
| H8 | C21 | C22 | H10 | 43.1° | 159.4° |
| H9 | C22 | C23 | H16 | 116.4° | 169.3° |
| H9 | C22 | C23 | H17 | 2.6° | 70.9° |
| H10 | C22 | C23 | H16 | 124.6° | 49.5° |
| H10 | C22 | C23 | H17 | 116.4° | 169.3° |
| H11 | C24 | C25 | H15 | 117.9° | 147.7° |
| H11 | C24 | C23 | H16 | 116.4° | 76.9° |
| H11 | C24 | C23 | H17 | 124.6° | 163.2° |
| H12 | C24 | C25 | H15 | 123.0° | 92.4° |
| H12 | C24 | C23 | H16 | 124.6° | 162.7° |
| H12 | C24 | C23 | H17 | 5.6° | 42.8° |
| H13 | C26 | C25 | H15 | 75.4° | 163.5° |
| H13 | C26 | C27 | H18 | 19.7° | 73.8° |
| H14 | C26 | C25 | H15 | 166.3° | 77.7° |
| H14 | C26 | C27 | H18 | 98.5° | 167.5° |
| H15 | C25 | C36 | H19 | 61.5° | 179.2° |
| H15 | C25 | C36 | H20 | 178.5° | 60.7° |
| H15 | C25 | C36 | H21 | 58.6° | 59.2° |
| H18 | C27 | C35 | H23 | 63.6° | 61.5° |
| H18 | C27 | C35 | H24 | 176.4° | 58.5° |
| H18 | C27 | C35 | H25 | 56.4° | 178.6° |
| H19 | C36 | H20 | H21 | 120.0° | 120.1° |
| H22 | C08 | C09 | H26 | 67.0° | 131.4° |
| H22 | C08 | C07 | H27 | 54.8° | 174.2° |
| H22 | C08 | C07 | H28 | 174.2° | 65.5° |
| H22 | C08 | O41 | H59 | 61.5° | 60.0° |
| H23 | C35 | H24 | H25 | 120.0° | 120.0° |
| H26 | C09 | O40 | H60 | 61.5° | 59.8° |
| H27 | C07 | C06 | H34 | 171.1° | 72.4° |
| H28 | C07 | C06 | H34 | 51.7° | 168.0° |
| H29 | C16 | C43 | H40 | 78.2° | 170.7° |
| H29 | C16 | C43 | H41 | 41.0° | 69.3° |
| H30 | C18 | C19 | H32 | 125.6° | 62.9° |
| H30 | C18 | C19 | H33 | 6.5° | 176.3° |
| H31 | C18 | C19 | H32 | 115.5° | 177.8° |
| H31 | C18 | C19 | H33 | 125.4° | 57.0° |
| H34 | C06 | C05 | H38 | 45.8° | 7.9° |
| H34 | C06 | C05 | H39 | 73.9° | 111.9° |
| H34 | C06 | O42 | H61 | 61.4° | 59.7° |
| H35 | C02 | C32 | H42 | 100.9° | 175.0° |
| H35 | C02 | C32 | H43 | 139.9° | 65.0° |
| H38 | C05 | N04 | H58 | 174.3° | 36.3° |
| H39 | C05 | N04 | H58 | 66.1° | 156.2° |
| H40 | C43 | C44 | H47 | 59.6° | 175.4° |
| H40 | C43 | C44 | H48 | 60.4° | 55.4° |
| H40 | C43 | C44 | H49 | 179.6° | 64.5° |
| H41 | C43 | C44 | H47 | 59.6° | 64.6° |
| H41 | C43 | C44 | H48 | 179.6° | 175.4° |
| H41 | C43 | C44 | H49 | 60.4° | 55.5° |
| H42 | C32 | C33 | H44 | 141.1° | 180.0° |
| H42 | C32 | C33 | H45 | 99.7° | 60.0° |
| H43 | C32 | C33 | H44 | 21.8° | 60.0° |
| H43 | C32 | C33 | H45 | 141.0° | 180.0° |
| H44 | C33 | C34 | H52 | 59.6° | 180.0° |
| H44 | C33 | C34 | H53 | 60.4° | 60.0° |
| H44 | C33 | C34 | H54 | 179.6° | 60.0° |
| H45 | C33 | C34 | H52 | 59.6° | 59.9° |
| H45 | C33 | C34 | H53 | 179.6° | NaN° |
| H45 | C33 | C34 | H54 | 60.4° | 60.0° |
| H47 | C44 | H48 | H49 | 120.0° | 119.9° |
| H52 | C34 | H53 | H54 | 120.0° | 119.9° |
| H55 | C39 | H56 | H57 | 120.0° | 120.0° |
