YI2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O04 | C31 | sing | 1.43Å | 1.43Å | |
C31 | C30 | sing | 1.51Å | 1.40Å | |
C30 | C02 | doub | 1.31Å | 1.41Å | |
O01 | C01 | sing | 1.43Å | 1.42Å | |
C02 | C01 | sing | 1.51Å | 1.58Å | |
C02 | C03 | sing | 1.51Å | 1.54Å | |
C01 | C10 | sing | 1.53Å | 1.56Å | |
C03 | O02 | sing | 1.43Å | 1.43Å | |
C03 | C04 | sing | 1.53Å | 1.55Å | |
C10 | C05 | sing | 1.51Å | 1.57Å | |
C04 | C05 | sing | 1.51Å | 1.55Å | |
C05 | C06 | doub | 1.33Å | 1.40Å | |
C06 | C07 | sing | 1.47Å | 1.40Å | |
C07 | C08 | doub | 1.33Å | 1.41Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C08 | C14 | sing | 1.50Å | 1.58Å | |
C08 | C09 | sing | 1.51Å | 1.56Å | |
C18 | C13 | sing | 1.53Å | 1.58Å | |
C14 | C13 | sing | 1.55Å | 1.56Å | |
C09 | C11 | sing | 1.53Å | 1.54Å | |
C16 | C17 | doub | 1.33Å | 1.37Å | |
C26 | C28 | sing | 1.53Å | 1.54Å | |
C26 | C24 | sing | 1.53Å | 1.55Å | |
C13 | C17 | sing | 1.48Å | 1.55Å | |
C13 | C12 | sing | 1.50Å | 1.57Å | |
C11 | C12 | sing | 1.54Å | 1.58Å | |
C17 | C20 | sing | 1.51Å | 1.59Å | |
C23 | C24 | sing | 1.53Å | 1.54Å | |
C23 | S22 | sing | 1.81Å | 1.85Å | |
C24 | O03 | sing | 1.43Å | 1.44Å | |
C24 | C27 | sing | 1.53Å | 1.57Å | |
C29 | C27 | sing | 1.53Å | 1.55Å | |
C20 | S22 | sing | 1.81Å | 1.86Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C12 | H1 | sing | 1.09Å | 1.10Å | |
C12 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.09Å | 1.10Å | |
C15 | H4 | sing | 1.09Å | 1.10Å | |
C15 | H5 | sing | 1.09Å | 1.10Å | |
C16 | H6 | sing | 1.08Å | 1.08Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C21 | H9 | sing | 1.09Å | 1.10Å | |
C21 | H10 | sing | 1.09Å | 1.10Å | |
C23 | H11 | sing | 1.09Å | 1.10Å | |
C23 | H12 | sing | 1.09Å | 1.10Å | |
C29 | H13 | sing | 1.09Å | 1.10Å | |
C29 | H14 | sing | 1.09Å | 1.10Å | |
C29 | H15 | sing | 1.09Å | 1.10Å | |
C27 | H16 | sing | 1.09Å | 1.10Å | |
C27 | H17 | sing | 1.09Å | 1.10Å | |
C26 | H18 | sing | 1.09Å | 1.10Å | |
C26 | H19 | sing | 1.09Å | 1.10Å | |
C28 | H20 | sing | 1.09Å | 1.10Å | |
C28 | H21 | sing | 1.09Å | 1.10Å | |
C28 | H22 | sing | 1.09Å | 1.10Å | |
O03 | H23 | sing | 0.97Å | 0.95Å | |
C20 | H24 | sing | 1.09Å | 1.10Å | |
C18 | H26 | sing | 1.09Å | 1.10Å | |
C18 | H27 | sing | 1.09Å | 1.10Å | |
C18 | H28 | sing | 1.09Å | 1.10Å | |
C11 | H29 | sing | 1.09Å | 1.10Å | |
C11 | H30 | sing | 1.09Å | 1.10Å | |
C09 | H31 | sing | 1.09Å | 1.10Å | |
C09 | H32 | sing | 1.09Å | 1.10Å | |
C07 | H33 | sing | 1.08Å | 1.08Å | |
C06 | H34 | sing | 1.08Å | 1.08Å | |
C10 | H35 | sing | 1.09Å | 1.10Å | |
C10 | H36 | sing | 1.09Å | 1.10Å | |
C01 | H37 | sing | 1.09Å | 1.10Å | |
O01 | H38 | sing | 0.97Å | 0.95Å | |
C04 | H39 | sing | 1.09Å | 1.10Å | |
C04 | H40 | sing | 1.09Å | 1.10Å | |
C03 | H41 | sing | 1.09Å | 1.10Å | |
O02 | H42 | sing | 0.97Å | 0.95Å | |
C30 | H43 | sing | 1.08Å | 1.08Å | |
C31 | H44 | sing | 1.09Å | 1.10Å | |
C31 | H45 | sing | 1.09Å | 1.10Å | |
O04 | H46 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O04 | C31 | C30 | 108.9° | 109.5° |
O04 | C31 | H44 | 109.6° | 109.5° |
O04 | C31 | H45 | 109.6° | 109.4° |
C31 | O04 | H46 | 109.5° | 114.0° |
C31 | C30 | C02 | 134.0° | 120.0° |
C31 | C30 | H43 | 113.0° | 120.0° |
C30 | C31 | H44 | 109.6° | 109.5° |
C30 | C31 | H45 | 109.6° | 109.5° |
C30 | C02 | C01 | 125.4° | 120.5° |
C30 | C02 | C03 | 119.0° | 120.7° |
C02 | C30 | H43 | 113.0° | 120.0° |
O01 | C01 | C02 | 112.5° | 109.8° |
O01 | C01 | C10 | 107.4° | 109.6° |
O01 | C01 | H37 | 110.1° | 109.6° |
C01 | O01 | H38 | 109.5° | 114.0° |
C01 | C02 | C03 | 115.6° | 118.7° |
C02 | C01 | C10 | 110.5° | 108.6° |
C02 | C01 | H37 | 108.0° | 109.6° |
C02 | C03 | O02 | 112.4° | 109.5° |
C02 | C03 | C04 | 107.9° | 108.7° |
C02 | C03 | H41 | 109.4° | 109.9° |
C01 | C10 | C05 | 112.2° | 108.6° |
C01 | C10 | H35 | 108.8° | 109.6° |
C01 | C10 | H36 | 108.8° | 109.7° |
C10 | C01 | H37 | 108.3° | 109.6° |
O02 | C03 | C04 | 106.7° | 109.6° |
O02 | C03 | H41 | 111.0° | 109.6° |
C03 | O02 | H42 | 109.5° | 114.0° |
C03 | C04 | C05 | 114.7° | 108.6° |
C03 | C04 | H39 | 108.2° | 109.6° |
C03 | C04 | H40 | 108.1° | 109.8° |
C04 | C03 | H41 | 109.4° | 109.6° |
C10 | C05 | C04 | 118.2° | 118.8° |
C10 | C05 | C06 | 122.4° | 120.6° |
C05 | C10 | H35 | 108.8° | 109.6° |
C05 | C10 | H36 | 108.8° | 109.6° |
C04 | C05 | C06 | 119.4° | 120.5° |
C05 | C04 | H39 | 108.1° | 109.6° |
C05 | C04 | H40 | 108.2° | 109.6° |
C05 | C06 | C07 | 128.8° | 120.0° |
C05 | C06 | H34 | 115.6° | 120.0° |
C06 | C07 | C08 | 129.6° | 120.0° |
C06 | C07 | H33 | 115.2° | 120.0° |
C07 | C06 | H34 | 115.6° | 120.0° |
C07 | C08 | C14 | 124.1° | 122.9° |
C07 | C08 | C09 | 124.1° | 121.8° |
C08 | C07 | H33 | 115.2° | 120.0° |
C14 | C15 | C16 | 96.5° | 102.5° |
C15 | C14 | C08 | 119.9° | 118.3° |
C15 | C14 | C13 | 102.6° | 98.2° |
C15 | C14 | H3 | 109.3° | 111.5° |
C14 | C15 | H4 | 112.6° | 110.8° |
C14 | C15 | H5 | 112.6° | 110.9° |
C15 | C16 | C17 | 109.6° | 110.4° |
C16 | C15 | H4 | 112.6° | 110.8° |
C16 | C15 | H5 | 112.6° | 110.8° |
C15 | C16 | H6 | 125.2° | 124.8° |
C14 | C08 | C09 | 111.8° | 115.3° |
C08 | C14 | C13 | 107.0° | 104.3° |
C08 | C14 | H3 | 108.6° | 111.5° |
C08 | C09 | C11 | 112.9° | 111.1° |
C08 | C09 | H31 | 108.6° | 109.5° |
C08 | C09 | H32 | 108.6° | 108.6° |
C18 | C13 | C14 | 119.5° | 105.9° |
C18 | C13 | C17 | 107.9° | 107.1° |
C18 | C13 | C12 | 109.9° | 107.2° |
C13 | C18 | H26 | 109.5° | 109.5° |
C13 | C18 | H27 | 109.5° | 109.4° |
C13 | C18 | H28 | 109.5° | 109.5° |
C14 | C13 | C17 | 95.7° | 104.2° |
C14 | C13 | C12 | 107.5° | 108.5° |
C13 | C14 | H3 | 108.9° | 112.0° |
C09 | C11 | C12 | 113.5° | 112.1° |
C09 | C11 | H29 | 108.5° | 108.9° |
C09 | C11 | H30 | 108.5° | 108.9° |
C11 | C09 | H31 | 108.6° | 109.2° |
C11 | C09 | H32 | 108.6° | 109.2° |
C16 | C17 | C13 | 109.5° | 108.6° |
C16 | C17 | C20 | 126.6° | 125.7° |
C17 | C16 | H6 | 125.2° | 124.8° |
C28 | C26 | C24 | 117.0° | 109.4° |
C28 | C26 | H18 | 107.5° | 109.5° |
C28 | C26 | H19 | 107.5° | 109.5° |
C26 | C28 | H20 | 109.5° | 109.5° |
C26 | C28 | H21 | 109.5° | 109.5° |
C26 | C28 | H22 | 109.5° | 109.4° |
C26 | C24 | C23 | 109.5° | 109.4° |
C26 | C24 | O03 | 108.9° | 109.4° |
C26 | C24 | C27 | 114.1° | 109.5° |
C24 | C26 | H18 | 107.6° | 109.4° |
C24 | C26 | H19 | 107.6° | 109.5° |
C17 | C13 | C12 | 116.1° | 122.8° |
C13 | C17 | C20 | 123.9° | 125.7° |
C13 | C12 | C11 | 112.3° | 107.5° |
C13 | C12 | H1 | 108.7° | 109.9° |
C13 | C12 | H2 | 108.7° | 109.9° |
C11 | C12 | H1 | 108.8° | 109.9° |
C11 | C12 | H2 | 108.8° | 109.9° |
C12 | C11 | H29 | 108.5° | 109.0° |
C12 | C11 | H30 | 108.5° | 109.0° |
C17 | C20 | S22 | 110.7° | 109.5° |
C17 | C20 | C21 | 110.3° | 109.4° |
C17 | C20 | H24 | 108.8° | 109.5° |
C24 | C23 | S22 | 118.7° | 109.4° |
C23 | C24 | O03 | 103.9° | 109.5° |
C23 | C24 | C27 | 112.4° | 109.5° |
C24 | C23 | H11 | 107.1° | 109.5° |
C24 | C23 | H12 | 107.1° | 109.5° |
C23 | S22 | C20 | 103.4° | 103.0° |
S22 | C23 | H11 | 107.1° | 109.5° |
S22 | C23 | H12 | 107.1° | 109.5° |
O03 | C24 | C27 | 107.6° | 109.5° |
C24 | O03 | H23 | 109.5° | 113.9° |
C24 | C27 | C29 | 118.8° | 109.5° |
C24 | C27 | H16 | 107.1° | 109.5° |
C24 | C27 | H17 | 107.1° | 109.4° |
C27 | C29 | H13 | 109.5° | 109.4° |
C27 | C29 | H14 | 109.5° | 109.5° |
C27 | C29 | H15 | 109.4° | 109.5° |
C29 | C27 | H16 | 107.1° | 109.5° |
C29 | C27 | H17 | 107.1° | 109.5° |
S22 | C20 | C21 | 111.6° | 109.4° |
S22 | C20 | H24 | 106.0° | 109.5° |
C20 | C21 | H8 | 109.5° | 109.5° |
C20 | C21 | H9 | 109.5° | 109.4° |
C20 | C21 | H10 | 109.5° | 109.4° |
C21 | C20 | H24 | 109.3° | 109.5° |
H1 | C12 | H2 | 109.5° | 109.9° |
H4 | C15 | H5 | 109.5° | 110.8° |
H8 | C21 | H9 | 109.5° | 109.5° |
H8 | C21 | H10 | 109.4° | 109.5° |
H9 | C21 | H10 | 109.4° | 109.5° |
H11 | C23 | H12 | 109.5° | 109.5° |
H13 | C29 | H14 | 109.5° | 109.5° |
H13 | C29 | H15 | 109.5° | 109.4° |
H14 | C29 | H15 | 109.5° | 109.5° |
H16 | C27 | H17 | 109.5° | 109.5° |
H18 | C26 | H19 | 109.5° | 109.5° |
H20 | C28 | H21 | 109.5° | 109.5° |
H20 | C28 | H22 | 109.5° | 109.5° |
H21 | C28 | H22 | 109.5° | 109.5° |
H26 | C18 | H27 | 109.5° | 109.5° |
H26 | C18 | H28 | 109.4° | 109.5° |
H27 | C18 | H28 | 109.5° | 109.4° |
H29 | C11 | H30 | 109.5° | 108.9° |
H31 | C09 | H32 | 109.5° | 109.2° |
H35 | C10 | H36 | 109.4° | 109.6° |
H39 | C04 | H40 | 109.5° | 109.6° |
H44 | C31 | H45 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O04 | C31 | C30 | H44 | 119.9° | 120.0° |
O04 | C31 | C30 | H45 | 119.9° | 120.0° |
O04 | C31 | C30 | C02 | 177.1° | 133.6° |
O04 | C31 | C30 | H43 | 2.9° | 46.4° |
O04 | C31 | H44 | H45 | 120.3° | 120.0° |
C31 | C30 | C02 | H43 | 180.0° | 180.0° |
C31 | C30 | C02 | C01 | 0.3° | 7.3° |
C31 | C30 | C02 | C03 | 179.6° | 172.4° |
C30 | C31 | H44 | H45 | 120.3° | 120.0° |
C30 | C31 | O04 | H46 | 180.0° | 180.0° |
C30 | C02 | C01 | O01 | 1.8° | 115.5° |
C30 | C02 | C01 | C03 | 179.3° | 179.7° |
C30 | C02 | C01 | C10 | 121.9° | 124.7° |
C30 | C02 | C03 | O02 | 121.5° | 5.0° |
C30 | C02 | C03 | C04 | 121.2° | 124.6° |
C30 | C02 | C01 | H37 | 119.9° | 5.0° |
C30 | C02 | C03 | H41 | 2.3° | 115.4° |
C02 | C30 | C31 | H44 | 57.2° | 106.4° |
C02 | C30 | C31 | H45 | 63.0° | 13.6° |
O01 | C01 | C02 | C10 | 120.1° | 119.8° |
O01 | C01 | C02 | H37 | 121.7° | 120.5° |
O01 | C01 | C02 | C03 | 177.5° | 64.2° |
O01 | C01 | C10 | H37 | 118.8° | 120.4° |
O01 | C01 | C10 | C05 | 167.7° | 70.4° |
O01 | C01 | C10 | H35 | 47.3° | 169.8° |
O01 | C01 | C10 | H36 | 71.8° | 49.4° |
C02 | C01 | C10 | H37 | 118.1° | 119.7° |
C01 | C02 | C03 | O02 | 59.2° | 175.3° |
C01 | C02 | C03 | C04 | 58.1° | 55.7° |
C02 | C01 | C10 | C05 | 44.7° | 49.4° |
C02 | C01 | C10 | H35 | 75.7° | 70.3° |
C02 | C01 | C10 | H36 | 165.1° | 169.3° |
C02 | C01 | O01 | H38 | 180.0° | 179.2° |
C01 | C02 | C03 | H41 | 177.0° | 64.3° |
C01 | C02 | C30 | H43 | 179.7° | 172.7° |
C03 | C02 | C01 | C10 | 57.4° | 55.6° |
C02 | C03 | O02 | C04 | 118.0° | 119.1° |
C02 | C03 | O02 | H41 | 122.9° | 120.6° |
C02 | C03 | C04 | H41 | 119.0° | 120.1° |
C02 | C03 | C04 | C05 | 48.9° | 49.6° |
C03 | C02 | C01 | H37 | 60.8° | 175.3° |
C02 | C03 | C04 | H39 | 169.7° | 169.3° |
C02 | C03 | C04 | H40 | 71.9° | 70.2° |
C02 | C03 | O02 | H42 | 180.0° | 179.1° |
C03 | C02 | C30 | H43 | 0.4° | 7.6° |
C01 | C10 | C05 | H35 | 120.4° | 119.7° |
C01 | C10 | C05 | H36 | 120.4° | 119.9° |
C01 | C10 | C05 | C04 | 40.2° | 55.0° |
C01 | C10 | C05 | C06 | 140.0° | 124.7° |
C01 | C10 | H35 | H36 | 118.8° | 120.5° |
C10 | C01 | O01 | H38 | 58.2° | 60.0° |
O02 | C03 | C04 | H41 | 120.1° | 120.3° |
O02 | C03 | C04 | C05 | 72.0° | 169.2° |
O02 | C03 | C04 | H39 | 48.7° | 71.1° |
O02 | C03 | C04 | H40 | 167.2° | 49.3° |
C03 | C04 | C05 | C10 | 43.2° | 55.0° |
C03 | C04 | C05 | H39 | 120.8° | 119.7° |
C03 | C04 | C05 | H40 | 120.8° | 119.9° |
C03 | C04 | C05 | C06 | 137.0° | 124.7° |
C03 | C04 | H39 | H40 | 117.6° | 120.5° |
C04 | C03 | O02 | H42 | 61.9° | 60.0° |
C10 | C05 | C04 | C06 | 179.8° | 179.8° |
C10 | C05 | C06 | C07 | 0.4° | 173.8° |
C10 | C05 | C06 | H34 | 179.6° | 6.2° |
C05 | C10 | H35 | H36 | 118.8° | 120.4° |
C05 | C10 | C01 | H37 | 73.4° | 169.2° |
C10 | C05 | C04 | H39 | 164.0° | 174.7° |
C10 | C05 | C04 | H40 | 77.5° | 64.9° |
C04 | C05 | C06 | C07 | 179.4° | 6.0° |
C04 | C05 | C06 | H34 | 0.6° | 174.1° |
C04 | C05 | C10 | H35 | 80.2° | 64.7° |
C04 | C05 | C10 | H36 | 160.7° | 174.9° |
C05 | C04 | H39 | H40 | 117.6° | 120.4° |
C05 | C04 | C03 | H41 | 167.9° | 70.5° |
C05 | C06 | C07 | H34 | 180.0° | 180.0° |
C05 | C06 | C07 | C08 | 168.1° | 174.7° |
C05 | C06 | C07 | H33 | 11.9° | 5.4° |
C06 | C05 | C10 | H35 | 99.6° | 115.5° |
C06 | C05 | C10 | H36 | 19.5° | 4.9° |
C06 | C05 | C04 | H39 | 16.2° | 5.0° |
C06 | C05 | C04 | H40 | 102.3° | 115.4° |
C06 | C07 | C08 | H33 | 180.0° | 179.9° |
C06 | C07 | C08 | C14 | 178.7° | 173.8° |
C06 | C07 | C08 | C09 | 0.1° | 7.1° |
C07 | C08 | C14 | C15 | 0.2° | 12.4° |
C07 | C08 | C14 | C09 | 178.7° | 179.1° |
C07 | C08 | C14 | C13 | 116.2° | 120.2° |
C07 | C08 | C09 | C11 | 127.4° | 128.4° |
C07 | C08 | C14 | H3 | 126.4° | 118.8° |
C07 | C08 | C09 | H31 | 112.1° | 7.7° |
C07 | C08 | C09 | H32 | 6.9° | 111.4° |
C08 | C07 | C06 | H34 | 11.9° | 5.3° |
C14 | C15 | C16 | H4 | 117.8° | 118.2° |
C14 | C15 | C16 | H5 | 117.8° | 118.3° |
C15 | C14 | C08 | C13 | 116.0° | 107.7° |
C15 | C14 | C08 | H3 | 126.6° | 131.2° |
C15 | C14 | C08 | C09 | 178.5° | 166.7° |
C15 | C14 | C13 | C18 | 66.6° | 74.7° |
C15 | C14 | C13 | H3 | 115.8° | 117.2° |
C14 | C15 | C16 | C17 | 29.7° | 23.3° |
C15 | C14 | C13 | C17 | 47.7° | 38.1° |
C15 | C14 | C13 | C12 | 167.3° | 170.5° |
C14 | C15 | H4 | H5 | 126.1° | 123.5° |
C14 | C15 | C16 | H6 | 150.3° | 156.8° |
C16 | C15 | C14 | C08 | 166.2° | 147.1° |
C16 | C15 | C14 | C13 | 47.8° | 35.9° |
C15 | C16 | C17 | H6 | 180.0° | 179.9° |
C15 | C16 | C17 | C13 | 0.0° | 1.9° |
C15 | C16 | C17 | C20 | 179.4° | 178.1° |
C16 | C15 | C14 | H3 | 67.6° | 81.6° |
C16 | C15 | H4 | H5 | 126.1° | 123.5° |
C08 | C14 | C13 | C18 | 60.4° | 47.4° |
C08 | C14 | C13 | H3 | 117.2° | 120.7° |
C14 | C08 | C09 | C11 | 51.3° | 50.7° |
C08 | C14 | C13 | C17 | 174.7° | 160.2° |
C08 | C14 | C13 | C12 | 65.6° | 67.4° |
C08 | C14 | C15 | H4 | 48.3° | 28.9° |
C08 | C14 | C15 | H5 | 76.0° | 94.6° |
C14 | C08 | C09 | H31 | 69.2° | 171.4° |
C14 | C08 | C09 | H32 | 171.8° | 69.5° |
C14 | C08 | C07 | H33 | 1.3° | 6.1° |
C09 | C08 | C14 | C13 | 62.5° | 58.9° |
C08 | C09 | C11 | H31 | 120.5° | 120.9° |
C08 | C09 | C11 | H32 | 120.5° | 119.8° |
C08 | C09 | C11 | C12 | 43.8° | 47.4° |
C09 | C08 | C14 | H3 | 54.9° | 62.1° |
C08 | C09 | C11 | H29 | 164.3° | 73.4° |
C08 | C09 | C11 | H30 | 76.8° | 168.0° |
C08 | C09 | H31 | H32 | 118.4° | 118.8° |
C09 | C08 | C07 | H33 | 179.9° | 172.9° |
C18 | C13 | C14 | C17 | 114.2° | 112.8° |
C18 | C13 | C14 | C12 | 126.1° | 114.8° |
C18 | C13 | C17 | C16 | 94.4° | 85.7° |
C18 | C13 | C17 | C12 | 123.8° | 124.5° |
C18 | C13 | C12 | C11 | 71.4° | 46.1° |
C18 | C13 | C17 | C20 | 86.2° | 94.3° |
C18 | C13 | C12 | H1 | 49.0° | 73.4° |
C18 | C13 | C12 | H2 | 168.1° | 165.6° |
C18 | C13 | C14 | H3 | 177.7° | 168.1° |
C13 | C18 | H26 | H27 | 120.0° | 120.0° |
C13 | C18 | H26 | H28 | 120.0° | 120.0° |
C13 | C18 | H27 | H28 | 120.0° | 120.0° |
C14 | C13 | C17 | C16 | 29.1° | 26.2° |
C14 | C13 | C17 | C12 | 112.6° | 123.6° |
C14 | C13 | C12 | C11 | 60.1° | 67.8° |
C14 | C13 | C17 | C20 | 150.3° | 153.8° |
C14 | C13 | C12 | H1 | 179.5° | 172.7° |
C14 | C13 | C12 | H2 | 60.3° | 51.7° |
C13 | C14 | C15 | H4 | 70.0° | 82.3° |
C13 | C14 | C15 | H5 | 165.6° | 154.2° |
C14 | C13 | C18 | H26 | 180.0° | 179.5° |
C14 | C13 | C18 | H27 | 60.0° | 59.5° |
C14 | C13 | C18 | H28 | 60.0° | 60.5° |
C09 | C11 | C12 | C13 | 49.0° | 57.1° |
C09 | C11 | C12 | H29 | 120.6° | 120.7° |
C09 | C11 | C12 | H30 | 120.6° | 120.6° |
C09 | C11 | C12 | H1 | 169.4° | 176.6° |
C09 | C11 | C12 | H2 | 71.4° | 62.4° |
C09 | C11 | H29 | H30 | 118.2° | 118.6° |
C11 | C09 | H31 | H32 | 118.4° | 119.3° |
C16 | C17 | C13 | C20 | 179.4° | 180.0° |
C16 | C17 | C13 | C12 | 141.7° | 149.7° |
C16 | C17 | C20 | S22 | 124.7° | 10.0° |
C16 | C17 | C20 | C21 | 0.7° | 109.9° |
C17 | C16 | C15 | H4 | 88.1° | 94.9° |
C17 | C16 | C15 | H5 | 147.6° | 141.6° |
C16 | C17 | C20 | H24 | 119.2° | 130.0° |
C28 | C26 | C24 | H18 | 121.1° | 120.0° |
C28 | C26 | C24 | H19 | 121.1° | 120.0° |
C28 | C26 | C24 | C23 | 171.8° | 175.0° |
C28 | C26 | C24 | O03 | 58.8° | 65.0° |
C28 | C26 | C24 | C27 | 61.3° | 55.0° |
C28 | C26 | H18 | H19 | 116.6° | 120.0° |
C26 | C28 | H20 | H21 | 120.0° | 120.0° |
C26 | C28 | H20 | H22 | 120.0° | 120.0° |
C26 | C28 | H21 | H22 | 120.0° | 119.9° |
C26 | C24 | C23 | O03 | 116.2° | 120.0° |
C26 | C24 | C23 | C27 | 127.9° | 120.0° |
C26 | C24 | C23 | S22 | 165.5° | 174.6° |
C26 | C24 | O03 | C27 | 124.0° | 120.0° |
C26 | C24 | C27 | C29 | 62.7° | 56.6° |
C26 | C24 | C23 | H11 | 73.2° | 65.4° |
C26 | C24 | C23 | H12 | 44.2° | 54.7° |
C26 | C24 | C27 | H16 | 58.6° | 63.4° |
C26 | C24 | C27 | H17 | 176.0° | 176.6° |
C24 | C26 | H18 | H19 | 116.6° | 120.0° |
C24 | C26 | C28 | H20 | 180.0° | 60.0° |
C24 | C26 | C28 | H21 | 60.0° | 60.0° |
C24 | C26 | C28 | H22 | 60.0° | 180.0° |
C26 | C24 | O03 | H23 | 180.0° | 60.0° |
C17 | C13 | C12 | C11 | 165.8° | 170.6° |
C13 | C17 | C20 | S22 | 56.0° | 170.0° |
C13 | C17 | C20 | C21 | 180.0° | 70.1° |
C17 | C13 | C12 | H1 | 73.8° | 51.1° |
C17 | C13 | C12 | H2 | 45.4° | 69.9° |
C17 | C13 | C14 | H3 | 68.1° | 79.1° |
C13 | C17 | C16 | H6 | 180.0° | 178.0° |
C13 | C17 | C20 | H24 | 60.1° | 50.0° |
C17 | C13 | C18 | H26 | 72.4° | 69.7° |
C17 | C13 | C18 | H27 | 167.6° | 170.2° |
C17 | C13 | C18 | H28 | 47.6° | 50.3° |
C13 | C12 | C11 | H1 | 120.4° | 119.5° |
C13 | C12 | C11 | H2 | 120.4° | 119.5° |
C12 | C13 | C17 | C20 | 37.7° | 30.3° |
C13 | C12 | H1 | H2 | 118.7° | 121.0° |
C12 | C13 | C14 | H3 | 51.6° | 53.3° |
C12 | C13 | C18 | H26 | 55.1° | 63.9° |
C12 | C13 | C18 | H27 | 64.9° | 56.2° |
C12 | C13 | C18 | H28 | 175.1° | 176.1° |
C13 | C12 | C11 | H29 | 169.6° | 63.6° |
C13 | C12 | C11 | H30 | 71.5° | 177.6° |
C11 | C12 | H1 | H2 | 118.7° | 121.0° |
C12 | C11 | H29 | H30 | 118.2° | 118.8° |
C12 | C11 | C09 | H31 | 76.8° | 168.3° |
C12 | C11 | C09 | H32 | 164.3° | 72.4° |
C17 | C20 | S22 | C23 | 68.8° | 175.0° |
C17 | C20 | S22 | C21 | 123.3° | 120.0° |
C17 | C20 | S22 | H24 | 117.8° | 120.0° |
C17 | C20 | C21 | H24 | 119.6° | 120.0° |
C20 | C17 | C16 | H6 | 0.6° | 2.0° |
C17 | C20 | C21 | H8 | 180.0° | 60.0° |
C17 | C20 | C21 | H9 | 60.0° | 60.0° |
C17 | C20 | C21 | H10 | 60.0° | 180.0° |
C24 | C23 | S22 | H11 | 121.3° | 120.0° |
C24 | C23 | S22 | H12 | 121.3° | 120.0° |
C23 | C24 | O03 | C27 | 119.3° | 120.1° |
C23 | C24 | C27 | C29 | 62.7° | 63.4° |
C24 | C23 | S22 | C20 | 129.8° | 180.0° |
C24 | C23 | H11 | H12 | 115.8° | 120.0° |
C23 | C24 | C27 | H16 | 176.0° | 176.6° |
C23 | C24 | C27 | H17 | 58.6° | 56.6° |
C23 | C24 | C26 | H18 | 50.7° | 55.0° |
C23 | C24 | C26 | H19 | 67.2° | 65.0° |
C23 | C24 | O03 | H23 | 63.4° | 59.9° |
S22 | C23 | C24 | O03 | 78.3° | 65.4° |
S22 | C23 | C24 | C27 | 37.7° | 54.6° |
C23 | S22 | C20 | C21 | 54.5° | 65.0° |
S22 | C23 | H11 | H12 | 115.8° | 120.0° |
C23 | S22 | C20 | H24 | 173.4° | 55.0° |
O03 | C24 | C27 | C29 | 176.4° | 176.6° |
O03 | C24 | C23 | H11 | 43.0° | 54.6° |
O03 | C24 | C23 | H12 | 160.4° | 174.6° |
O03 | C24 | C27 | H16 | 62.3° | 56.5° |
O03 | C24 | C27 | H17 | 55.1° | 63.4° |
O03 | C24 | C26 | H18 | 62.3° | 175.0° |
O03 | C24 | C26 | H19 | 179.9° | 55.0° |
C24 | C27 | C29 | H16 | 121.3° | 120.0° |
C24 | C27 | C29 | H17 | 121.3° | 120.0° |
C27 | C24 | C23 | H11 | 159.0° | 174.6° |
C27 | C24 | C23 | H12 | 83.6° | 65.3° |
C24 | C27 | C29 | H13 | 180.0° | 175.9° |
C24 | C27 | C29 | H14 | 60.0° | 64.1° |
C24 | C27 | C29 | H15 | 60.0° | 56.0° |
C24 | C27 | H16 | H17 | 115.8° | 120.0° |
C27 | C24 | C26 | H18 | 177.6° | 65.0° |
C27 | C24 | C26 | H19 | 59.8° | 175.0° |
C27 | C24 | O03 | H23 | 56.0° | 180.0° |
C27 | C29 | H13 | H14 | 120.0° | 120.0° |
C27 | C29 | H13 | H15 | 120.0° | 120.0° |
C27 | C29 | H14 | H15 | 120.0° | 120.0° |
C29 | C27 | H16 | H17 | 115.8° | 120.0° |
S22 | C20 | C21 | H24 | 116.9° | 120.0° |
S22 | C20 | C21 | H8 | 56.5° | 60.0° |
S22 | C20 | C21 | H9 | 63.6° | 180.0° |
S22 | C20 | C21 | H10 | 176.5° | 60.1° |
C20 | S22 | C23 | H11 | 8.4° | 60.0° |
C20 | S22 | C23 | H12 | 108.9° | 60.0° |
C20 | C21 | H8 | H9 | 120.0° | 120.0° |
C20 | C21 | H8 | H10 | 120.0° | 120.0° |
C20 | C21 | H9 | H10 | 120.0° | 119.9° |
H1 | C12 | C11 | H29 | 70.0° | 55.9° |
H1 | C12 | C11 | H30 | 48.9° | 62.9° |
H2 | C12 | C11 | H29 | 49.2° | 176.9° |
H2 | C12 | C11 | H30 | 168.1° | 58.1° |
H3 | C14 | C15 | H4 | 174.6° | 160.1° |
H3 | C14 | C15 | H5 | 50.2° | 36.7° |
H4 | C15 | C16 | H6 | 91.9° | 85.0° |
H5 | C15 | C16 | H6 | 32.4° | 38.4° |
H8 | C21 | H9 | H10 | 120.0° | 120.1° |
H8 | C21 | C20 | H24 | 60.4° | 180.0° |
H9 | C21 | C20 | H24 | 179.5° | 60.0° |
H10 | C21 | C20 | H24 | 59.6° | 59.9° |
H13 | C29 | H14 | H15 | 120.0° | 120.0° |
H13 | C29 | C27 | H16 | 58.7° | 55.9° |
H13 | C29 | C27 | H17 | 58.7° | 64.1° |
H14 | C29 | C27 | H16 | 178.7° | 175.9° |
H14 | C29 | C27 | H17 | 61.3° | 55.9° |
H15 | C29 | C27 | H16 | 61.3° | 64.0° |
H15 | C29 | C27 | H17 | 178.7° | 176.0° |
H18 | C26 | C28 | H20 | 58.9° | 179.9° |
H18 | C26 | C28 | H21 | 61.1° | 59.9° |
H18 | C26 | C28 | H22 | 178.9° | 60.0° |
H19 | C26 | C28 | H20 | 59.0° | 60.0° |
H19 | C26 | C28 | H21 | 179.0° | 180.0° |
H19 | C26 | C28 | H22 | 61.1° | 60.0° |
H20 | C28 | H21 | H22 | 120.0° | 120.1° |
H26 | C18 | H27 | H28 | 120.0° | 120.0° |
H29 | C11 | C09 | H31 | 43.8° | 47.6° |
H29 | C11 | C09 | H32 | 75.2° | 166.9° |
H30 | C11 | C09 | H31 | 162.6° | 71.1° |
H30 | C11 | C09 | H32 | 43.7° | 48.2° |
H33 | C07 | C06 | H34 | 168.1° | 174.6° |
H35 | C10 | C01 | H37 | 166.2° | 49.4° |
H36 | C10 | C01 | H37 | 47.0° | 71.0° |
H37 | C01 | O01 | H38 | 59.5° | 60.4° |
H39 | C04 | C03 | H41 | 71.4° | 49.2° |
H40 | C04 | C03 | H41 | 47.1° | 169.7° |
H41 | C03 | O02 | H42 | 57.2° | 60.4° |
H43 | C30 | C31 | H44 | 122.8° | 73.6° |
H43 | C30 | C31 | H45 | 117.0° | 166.4° |
H44 | C31 | O04 | H46 | 60.1° | 60.0° |
H45 | C31 | O04 | H46 | 60.0° | 60.0° |