90O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.50Å | 1.52Å | |
C1 | C6 | sing | 1.53Å | 1.52Å | |
C2 | C3 | doub | 1.32Å | 1.33Å | |
C10 | C5 | sing | 1.53Å | 1.57Å | |
C20 | C18 | sing | 1.53Å | 1.52Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C3 | C22 | sing | 1.46Å | 1.50Å | |
C3 | C4 | sing | 1.49Å | 1.53Å | |
C22 | C23 | doub | 1.35Å | 1.32Å | |
C29 | C28 | sing | 1.50Å | 1.50Å | |
C29 | C24 | doub | 1.32Å | 1.38Å | |
C5 | C4 | sing | 1.54Å | 1.55Å | |
C5 | C9 | sing | 1.54Å | 1.54Å | |
C28 | C27 | sing | 1.53Å | 1.55Å | |
C28 | O30 | sing | 1.43Å | 1.46Å | |
C4 | C7 | sing | 1.54Å | 1.54Å | |
C32 | C27 | sing | 1.53Å | 1.54Å | |
C32 | C33 | sing | 1.53Å | 1.51Å | |
C23 | C24 | sing | 1.46Å | 1.50Å | |
C18 | C19 | sing | 1.53Å | 1.52Å | |
C18 | C17 | sing | 1.53Å | 1.49Å | |
C18 | O21 | sing | 1.43Å | 1.44Å | |
C24 | C25 | sing | 1.50Å | 1.50Å | |
C16 | C17 | sing | 1.53Å | 1.50Å | |
C16 | C15 | sing | 1.53Å | 1.55Å | |
C27 | C26 | sing | 1.53Å | 1.53Å | |
C34 | C33 | sing | 1.53Å | 1.50Å | |
C34 | O35 | sing | 1.43Å | 1.44Å | |
C9 | C12 | sing | 1.53Å | 1.57Å | |
C9 | C8 | sing | 1.54Å | 1.55Å | |
C12 | C15 | sing | 1.53Å | 1.54Å | |
C12 | C14 | sing | 1.53Å | 1.53Å | |
C7 | C8 | sing | 1.54Å | 1.52Å | |
C25 | C26 | sing | 1.53Å | 1.53Å | |
C26 | O31 | sing | 1.43Å | 1.41Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
O35 | H5 | sing | 0.97Å | 0.95Å | |
C34 | H6 | sing | 1.09Å | 1.10Å | |
C34 | H7 | sing | 1.09Å | 1.10Å | |
C33 | H8 | sing | 1.09Å | 1.10Å | |
C33 | H9 | sing | 1.09Å | 1.10Å | |
C32 | H10 | sing | 1.09Å | 1.10Å | |
C32 | H11 | sing | 1.09Å | 1.10Å | |
C27 | H12 | sing | 1.09Å | 1.10Å | |
C26 | H13 | sing | 1.09Å | 1.10Å | |
O31 | H14 | sing | 0.97Å | 0.95Å | |
C25 | H15 | sing | 1.09Å | 1.10Å | |
C25 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
O30 | H18 | sing | 0.97Å | 0.95Å | |
C29 | H19 | sing | 1.08Å | 1.08Å | |
C23 | H20 | sing | 1.08Å | 1.08Å | |
C22 | H21 | sing | 1.08Å | 1.08Å | |
C7 | H22 | sing | 1.09Å | 1.10Å | |
C7 | H23 | sing | 1.09Å | 1.10Å | |
C8 | H24 | sing | 1.09Å | 1.10Å | |
C8 | H25 | sing | 1.09Å | 1.10Å | |
C9 | H26 | sing | 1.09Å | 1.10Å | |
C10 | H27 | sing | 1.09Å | 1.10Å | |
C10 | H28 | sing | 1.09Å | 1.10Å | |
C10 | H29 | sing | 1.09Å | 1.10Å | |
C1 | H30 | sing | 1.09Å | 1.10Å | |
C1 | H31 | sing | 1.09Å | 1.10Å | |
C12 | H32 | sing | 1.09Å | 1.10Å | |
C14 | H33 | sing | 1.09Å | 1.10Å | |
C14 | H34 | sing | 1.09Å | 1.10Å | |
C14 | H35 | sing | 1.09Å | 1.10Å | |
C15 | H36 | sing | 1.09Å | 1.10Å | |
C15 | H37 | sing | 1.09Å | 1.10Å | |
C16 | H38 | sing | 1.09Å | 1.10Å | |
C16 | H39 | sing | 1.09Å | 1.10Å | |
C17 | H40 | sing | 1.09Å | 1.10Å | |
C17 | H41 | sing | 1.09Å | 1.10Å | |
O21 | H42 | sing | 0.97Å | 0.95Å | |
C20 | H43 | sing | 1.09Å | 1.10Å | |
C20 | H44 | sing | 1.09Å | 1.10Å | |
C20 | H45 | sing | 1.09Å | 1.10Å | |
C19 | H46 | sing | 1.09Å | 1.10Å | |
C19 | H47 | sing | 1.09Å | 1.10Å | |
C19 | H48 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C6 | 112.1° | 109.7° |
C1 | C2 | C3 | 123.1° | 122.6° |
C1 | C2 | H1 | 118.5° | 118.7° |
C2 | C1 | H30 | 108.8° | 109.4° |
C2 | C1 | H31 | 108.8° | 109.4° |
C1 | C6 | C5 | 113.3° | 109.6° |
C1 | C6 | H3 | 108.5° | 109.5° |
C1 | C6 | H4 | 108.5° | 109.3° |
C6 | C1 | H30 | 108.8° | 109.8° |
C6 | C1 | H31 | 108.8° | 109.1° |
C2 | C3 | C22 | 113.2° | 117.5° |
C2 | C3 | C4 | 121.6° | 124.9° |
C3 | C2 | H1 | 118.5° | 118.7° |
C10 | C5 | C6 | 108.9° | 112.0° |
C10 | C5 | C4 | 110.0° | 111.4° |
C10 | C5 | C9 | 113.6° | 111.4° |
C5 | C10 | H27 | 109.5° | 109.5° |
C5 | C10 | H28 | 109.5° | 109.5° |
C5 | C10 | H29 | 109.5° | 109.5° |
C20 | C18 | C19 | 114.1° | 109.5° |
C20 | C18 | C17 | 112.5° | 109.5° |
C20 | C18 | O21 | 112.0° | 109.5° |
C18 | C20 | H43 | 109.5° | 109.5° |
C18 | C20 | H44 | 109.5° | 109.4° |
C18 | C20 | H45 | 109.5° | 109.5° |
C6 | C5 | C4 | 110.4° | 109.4° |
C6 | C5 | C9 | 107.5° | 108.1° |
C5 | C6 | H3 | 108.5° | 109.5° |
C5 | C6 | H4 | 108.5° | 109.5° |
C22 | C3 | C4 | 125.2° | 117.6° |
C3 | C22 | C23 | 121.9° | 120.0° |
C3 | C22 | H21 | 119.1° | 120.0° |
C3 | C4 | C5 | 116.5° | 112.0° |
C3 | C4 | C7 | 115.4° | 110.7° |
C3 | C4 | H2 | 106.3° | 109.9° |
C22 | C23 | C24 | 125.2° | 120.0° |
C22 | C23 | H20 | 117.4° | 120.1° |
C23 | C22 | H21 | 119.1° | 120.0° |
C28 | C29 | C24 | 121.1° | 123.7° |
C29 | C28 | C27 | 99.1° | 110.2° |
C29 | C28 | O30 | 104.3° | 109.3° |
C29 | C28 | H17 | 112.2° | 109.2° |
C28 | C29 | H19 | 119.5° | 118.1° |
C29 | C24 | C23 | 125.8° | 118.1° |
C29 | C24 | C25 | 123.3° | 123.8° |
C24 | C29 | H19 | 119.5° | 118.2° |
C4 | C5 | C9 | 106.2° | 104.2° |
C5 | C4 | C7 | 105.5° | 103.5° |
C5 | C4 | H2 | 106.1° | 110.5° |
C5 | C9 | C12 | 119.6° | 110.0° |
C5 | C9 | C8 | 106.9° | 106.6° |
C5 | C9 | H26 | 103.9° | 110.1° |
C27 | C28 | O30 | 115.8° | 109.4° |
C28 | C27 | C32 | 121.2° | 109.6° |
C28 | C27 | C26 | 109.8° | 108.5° |
C28 | C27 | H12 | 98.7° | 109.8° |
C27 | C28 | H17 | 111.5° | 109.3° |
O30 | C28 | H17 | 112.9° | 109.4° |
C28 | O30 | H18 | 109.5° | 114.0° |
C4 | C7 | C8 | 104.3° | 104.2° |
C7 | C4 | H2 | 106.2° | 110.0° |
C4 | C7 | H22 | 110.7° | 110.5° |
C4 | C7 | H23 | 110.7° | 110.6° |
C27 | C32 | C33 | 112.5° | 109.5° |
C32 | C27 | C26 | 122.1° | 109.6° |
C27 | C32 | H10 | 108.7° | 109.5° |
C27 | C32 | H11 | 108.7° | 109.4° |
C32 | C27 | H12 | 98.8° | 109.7° |
C32 | C33 | C34 | 110.5° | 109.5° |
C32 | C33 | H8 | 109.2° | 109.5° |
C32 | C33 | H9 | 109.2° | 109.5° |
C33 | C32 | H10 | 108.7° | 109.5° |
C33 | C32 | H11 | 108.7° | 109.5° |
C23 | C24 | C25 | 110.9° | 118.2° |
C24 | C23 | H20 | 117.4° | 120.0° |
C19 | C18 | C17 | 101.8° | 109.4° |
C19 | C18 | O21 | 107.3° | 109.5° |
C18 | C19 | H46 | 109.5° | 109.5° |
C18 | C19 | H47 | 109.5° | 109.4° |
C18 | C19 | H48 | 109.4° | 109.5° |
C17 | C18 | O21 | 108.5° | 109.5° |
C18 | C17 | C16 | 117.9° | 109.4° |
C18 | C17 | H40 | 107.4° | 109.4° |
C18 | C17 | H41 | 107.3° | 109.5° |
C18 | O21 | H42 | 109.5° | 113.9° |
C24 | C25 | C26 | 115.0° | 110.1° |
C24 | C25 | H15 | 108.1° | 109.4° |
C24 | C25 | H16 | 108.1° | 109.3° |
C17 | C16 | C15 | 110.9° | 109.4° |
C17 | C16 | H38 | 109.1° | 109.5° |
C17 | C16 | H39 | 109.1° | 109.5° |
C16 | C17 | H40 | 107.3° | 109.5° |
C16 | C17 | H41 | 107.4° | 109.5° |
C16 | C15 | C12 | 105.6° | 109.5° |
C16 | C15 | H36 | 110.5° | 109.5° |
C16 | C15 | H37 | 110.4° | 109.5° |
C15 | C16 | H38 | 109.1° | 109.5° |
C15 | C16 | H39 | 109.1° | 109.4° |
C27 | C26 | C25 | 105.2° | 108.5° |
C27 | C26 | O31 | 116.6° | 109.6° |
C26 | C27 | H12 | 98.8° | 109.6° |
C27 | C26 | H13 | 111.8° | 109.7° |
C33 | C34 | O35 | 108.1° | 109.4° |
C33 | C34 | H6 | 109.8° | 109.5° |
C33 | C34 | H7 | 109.8° | 109.4° |
C34 | C33 | H8 | 109.2° | 109.5° |
C34 | C33 | H9 | 109.2° | 109.4° |
C34 | O35 | H5 | 109.5° | 114.0° |
O35 | C34 | H6 | 109.8° | 109.5° |
O35 | C34 | H7 | 109.8° | 109.4° |
C12 | C9 | C8 | 117.2° | 110.0° |
C9 | C12 | C15 | 121.1° | 109.5° |
C9 | C12 | C14 | 112.5° | 109.5° |
C12 | C9 | H26 | 103.5° | 110.0° |
C9 | C12 | H32 | 104.4° | 109.5° |
C9 | C8 | C7 | 106.0° | 106.6° |
C9 | C8 | H24 | 110.3° | 110.1° |
C9 | C8 | H25 | 110.4° | 110.1° |
C8 | C9 | H26 | 103.7° | 110.1° |
C15 | C12 | C14 | 107.7° | 109.5° |
C15 | C12 | H32 | 104.7° | 109.5° |
C12 | C15 | H36 | 110.4° | 109.4° |
C12 | C15 | H37 | 110.4° | 109.4° |
C14 | C12 | H32 | 104.9° | 109.4° |
C12 | C14 | H33 | 109.5° | 109.4° |
C12 | C14 | H34 | 109.5° | 109.5° |
C12 | C14 | H35 | 109.5° | 109.5° |
C8 | C7 | H22 | 110.7° | 110.5° |
C8 | C7 | H23 | 110.7° | 110.5° |
C7 | C8 | H24 | 110.3° | 110.0° |
C7 | C8 | H25 | 110.3° | 110.1° |
C25 | C26 | O31 | 96.5° | 109.6° |
C25 | C26 | H13 | 111.7° | 109.8° |
C26 | C25 | H15 | 108.1° | 109.4° |
C26 | C25 | H16 | 108.1° | 109.3° |
O31 | C26 | H13 | 113.7° | 109.6° |
C26 | O31 | H14 | 109.5° | 114.0° |
H3 | C6 | H4 | 109.5° | 109.5° |
H6 | C34 | H7 | 109.5° | 109.5° |
H8 | C33 | H9 | 109.5° | 109.5° |
H10 | C32 | H11 | 109.5° | 109.5° |
H15 | C25 | H16 | 109.4° | 109.3° |
H22 | C7 | H23 | 109.5° | 110.5° |
H24 | C8 | H25 | 109.5° | 109.9° |
H27 | C10 | H28 | 109.5° | 109.5° |
H27 | C10 | H29 | 109.4° | 109.5° |
H28 | C10 | H29 | 109.5° | 109.4° |
H30 | C1 | H31 | 109.5° | 109.4° |
H33 | C14 | H34 | 109.4° | 109.5° |
H33 | C14 | H35 | 109.5° | 109.6° |
H34 | C14 | H35 | 109.4° | 109.5° |
H36 | C15 | H37 | 109.4° | 109.5° |
H38 | C16 | H39 | 109.5° | 109.5° |
H40 | C17 | H41 | 109.5° | 109.5° |
H43 | C20 | H44 | 109.5° | 109.5° |
H43 | C20 | H45 | 109.5° | 109.5° |
H44 | C20 | H45 | 109.5° | 109.5° |
H46 | C19 | H47 | 109.5° | 109.5° |
H46 | C19 | H48 | 109.5° | 109.5° |
H47 | C19 | H48 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C6 | H30 | 120.4° | 120.2° |
C2 | C1 | C6 | H31 | 120.4° | 119.9° |
C1 | C2 | C3 | H1 | 180.0° | 179.8° |
C2 | C1 | C6 | C5 | 48.6° | 53.5° |
C1 | C2 | C3 | C22 | 171.6° | 179.7° |
C1 | C2 | C3 | C4 | 7.8° | 0.2° |
C2 | C1 | C6 | H3 | 72.0° | 173.6° |
C2 | C1 | C6 | H4 | 169.1° | 66.5° |
C2 | C1 | H30 | H31 | 118.8° | 119.9° |
C6 | C1 | C2 | C3 | 25.5° | 22.1° |
C1 | C6 | C5 | C10 | 67.5° | 59.7° |
C1 | C6 | C5 | H3 | 120.6° | 120.1° |
C1 | C6 | C5 | H4 | 120.6° | 119.9° |
C1 | C6 | C5 | C4 | 53.4° | 64.3° |
C1 | C6 | C5 | C9 | 168.9° | 177.3° |
C6 | C1 | C2 | H1 | 154.5° | 157.7° |
C1 | C6 | H3 | H4 | 118.3° | 119.8° |
C6 | C1 | H30 | H31 | 118.8° | 119.7° |
C2 | C3 | C22 | C4 | 179.4° | 180.0° |
C2 | C3 | C22 | C23 | 178.7° | 180.0° |
C2 | C3 | C4 | C5 | 12.8° | 9.5° |
C2 | C3 | C4 | C7 | 111.8° | 105.5° |
C2 | C3 | C4 | H2 | 130.8° | 132.8° |
C2 | C3 | C22 | H21 | 1.3° | 0.0° |
C3 | C2 | C1 | H30 | 145.9° | 142.5° |
C3 | C2 | C1 | H31 | 94.9° | 97.6° |
C10 | C5 | C6 | C4 | 120.9° | 124.0° |
C10 | C5 | C6 | C9 | 123.6° | 123.1° |
C10 | C5 | C4 | C3 | 85.5° | 83.5° |
C10 | C5 | C4 | C9 | 123.4° | 120.2° |
C10 | C5 | C4 | C7 | 145.0° | 157.2° |
C10 | C5 | C9 | C12 | 12.7° | 23.7° |
C10 | C5 | C9 | C8 | 123.4° | 143.0° |
C10 | C5 | C4 | H2 | 32.6° | 39.4° |
C10 | C5 | C6 | H3 | 171.9° | 60.4° |
C10 | C5 | C6 | H4 | 53.0° | 179.6° |
C10 | C5 | C9 | H26 | 127.3° | 97.6° |
C5 | C10 | H27 | H28 | 120.0° | 120.1° |
C5 | C10 | H27 | H29 | 120.0° | 120.0° |
C5 | C10 | H28 | H29 | 120.0° | 120.0° |
C20 | C18 | C19 | C17 | 121.4° | 120.0° |
C20 | C18 | C19 | O21 | 124.7° | 120.0° |
C20 | C18 | C17 | O21 | 124.5° | 120.0° |
C20 | C18 | C17 | C16 | 57.8° | 175.0° |
C20 | C18 | C17 | H40 | 179.0° | 65.0° |
C20 | C18 | C17 | H41 | 63.4° | 55.0° |
C20 | C18 | O21 | H42 | 180.0° | 60.1° |
C18 | C20 | H43 | H44 | 120.0° | 120.0° |
C18 | C20 | H43 | H45 | 120.0° | 120.0° |
C18 | C20 | H44 | H45 | 120.0° | 120.0° |
C20 | C18 | C19 | H46 | 180.0° | 180.0° |
C20 | C18 | C19 | H47 | 60.0° | 60.0° |
C20 | C18 | C19 | H48 | 60.0° | 59.9° |
C6 | C5 | C4 | C3 | 34.8° | 40.8° |
C6 | C5 | C4 | C9 | 116.3° | 115.5° |
C6 | C5 | C4 | C7 | 94.7° | 78.5° |
C6 | C5 | C9 | C12 | 108.0° | 147.1° |
C6 | C5 | C9 | C8 | 116.0° | 93.6° |
C6 | C5 | C4 | H2 | 152.9° | 163.7° |
C5 | C6 | H3 | H4 | 118.2° | 120.1° |
C6 | C5 | C9 | H26 | 6.7° | 25.8° |
C6 | C5 | C10 | H27 | 180.0° | 176.5° |
C6 | C5 | C10 | H28 | 60.0° | 63.4° |
C6 | C5 | C10 | H29 | 60.0° | 56.5° |
C5 | C6 | C1 | H30 | 169.0° | 173.8° |
C5 | C6 | C1 | H31 | 71.9° | 66.4° |
C3 | C22 | C23 | H21 | 180.0° | 179.9° |
C22 | C3 | C4 | C5 | 166.6° | 170.5° |
C22 | C3 | C4 | C7 | 68.9° | 74.5° |
C3 | C22 | C23 | C24 | 178.4° | 180.0° |
C22 | C3 | C2 | H1 | 8.4° | 0.0° |
C22 | C3 | C4 | H2 | 48.5° | 47.2° |
C3 | C22 | C23 | H20 | 1.6° | 0.1° |
C4 | C3 | C22 | C23 | 0.7° | 0.0° |
C3 | C4 | C5 | C7 | 129.4° | 119.3° |
C3 | C4 | C5 | H2 | 118.1° | 122.9° |
C3 | C4 | C5 | C9 | 151.1° | 156.3° |
C3 | C4 | C7 | H2 | 117.5° | 121.7° |
C3 | C4 | C7 | C8 | 163.0° | 157.3° |
C4 | C3 | C2 | H1 | 172.2° | 180.0° |
C4 | C3 | C22 | H21 | 179.3° | 180.0° |
C3 | C4 | C7 | H22 | 77.8° | 84.0° |
C3 | C4 | C7 | H23 | 43.9° | 38.6° |
C22 | C23 | C24 | C29 | 5.7° | 180.0° |
C22 | C23 | C24 | H20 | 180.0° | 179.9° |
C22 | C23 | C24 | C25 | 171.5° | 0.0° |
C28 | C29 | C24 | H19 | 180.0° | 180.0° |
C29 | C28 | C27 | O30 | 110.8° | 120.2° |
C29 | C28 | C27 | H17 | 118.3° | 120.1° |
C29 | C28 | O30 | H17 | 122.0° | 119.6° |
C29 | C28 | C27 | C32 | 134.0° | 169.5° |
C28 | C29 | C24 | C23 | 172.1° | 179.6° |
C28 | C29 | C24 | C25 | 4.8° | 0.4° |
C29 | C28 | C27 | C26 | 74.6° | 49.8° |
C29 | C28 | C27 | H12 | 28.1° | 70.0° |
C29 | C28 | O30 | H18 | 180.0° | 59.4° |
C24 | C29 | C28 | C27 | 40.3° | 17.2° |
C24 | C29 | C28 | O30 | 79.5° | 103.0° |
C29 | C24 | C23 | C25 | 177.2° | 180.0° |
C29 | C24 | C25 | C26 | 3.5° | 17.2° |
C29 | C24 | C25 | H15 | 117.3° | 103.0° |
C29 | C24 | C25 | H16 | 124.3° | 137.3° |
C24 | C29 | C28 | H17 | 158.1° | 137.3° |
C29 | C24 | C23 | H20 | 174.3° | 0.0° |
C5 | C4 | C7 | H2 | 112.4° | 118.1° |
C4 | C5 | C9 | C12 | 133.8° | 96.5° |
C4 | C5 | C9 | C8 | 2.3° | 22.8° |
C5 | C4 | C7 | C8 | 32.9° | 37.1° |
C4 | C5 | C6 | H3 | 67.2° | 175.6° |
C4 | C5 | C6 | H4 | 174.0° | 55.6° |
C5 | C4 | C7 | H22 | 152.1° | 155.8° |
C5 | C4 | C7 | H23 | 86.2° | 81.6° |
C4 | C5 | C9 | H26 | 111.6° | 142.2° |
C4 | C5 | C10 | H27 | 58.8° | 53.6° |
C4 | C5 | C10 | H28 | 178.8° | 173.7° |
C4 | C5 | C10 | H29 | 61.2° | 66.4° |
C9 | C5 | C4 | C7 | 21.6° | 37.0° |
C5 | C9 | C12 | C8 | 131.7° | 117.2° |
C5 | C9 | C12 | H26 | 114.8° | 121.4° |
C5 | C9 | C8 | H26 | 109.4° | 119.4° |
C5 | C9 | C12 | C15 | 75.5° | 66.6° |
C5 | C9 | C12 | C14 | 155.1° | 173.4° |
C5 | C9 | C8 | C7 | 18.2° | 0.2° |
C9 | C5 | C4 | H2 | 90.8° | 80.8° |
C9 | C5 | C6 | H3 | 48.3° | 62.7° |
C9 | C5 | C6 | H4 | 70.5° | 57.4° |
C5 | C9 | C8 | H24 | 137.7° | 119.1° |
C5 | C9 | C8 | H25 | 101.2° | 119.6° |
C9 | C5 | C10 | H27 | 60.2° | 62.3° |
C9 | C5 | C10 | H28 | 59.9° | 57.8° |
C9 | C5 | C10 | H29 | 179.9° | 177.7° |
C5 | C9 | C12 | H32 | 41.9° | 53.4° |
C27 | C28 | O30 | H17 | 130.2° | 119.7° |
C28 | C27 | C32 | C26 | 147.9° | 119.0° |
C28 | C27 | C32 | H12 | 105.9° | 120.6° |
C28 | C27 | C32 | C33 | 78.0° | 66.0° |
C28 | C27 | C26 | H12 | 102.7° | 119.9° |
C28 | C27 | C26 | C25 | 69.8° | 68.1° |
C28 | C27 | C26 | O31 | 175.2° | 172.2° |
C28 | C27 | C32 | H10 | 161.6° | 174.0° |
C28 | C27 | C32 | H11 | 42.5° | 54.0° |
C28 | C27 | C26 | H13 | 51.7° | 51.8° |
C27 | C28 | O30 | H18 | 72.2° | 179.9° |
C27 | C28 | C29 | H19 | 139.7° | 162.8° |
O30 | C28 | C27 | C32 | 115.2° | 49.3° |
O30 | C28 | C27 | C26 | 36.2° | 70.4° |
O30 | C28 | C27 | H12 | 138.9° | 169.8° |
O30 | C28 | C29 | H19 | 100.6° | 77.0° |
C4 | C7 | C8 | C9 | 31.5° | 23.0° |
C4 | C7 | C8 | H22 | 119.2° | 118.7° |
C4 | C7 | C8 | H23 | 119.2° | 118.7° |
C4 | C7 | H22 | H23 | 122.4° | 122.7° |
C4 | C7 | C8 | H24 | 150.9° | 96.3° |
C4 | C7 | C8 | H25 | 88.0° | 142.4° |
C27 | C32 | C33 | H10 | 120.4° | 120.0° |
C27 | C32 | C33 | H11 | 120.4° | 120.0° |
C32 | C27 | C26 | H12 | 106.2° | 120.4° |
C27 | C32 | C33 | C34 | 171.1° | 180.0° |
C32 | C27 | C26 | C25 | 139.1° | 172.2° |
C32 | C27 | C26 | O31 | 33.7° | 52.5° |
C27 | C32 | C33 | H8 | 68.7° | 60.0° |
C27 | C32 | C33 | H9 | 50.9° | 60.0° |
C27 | C32 | H10 | H11 | 118.6° | 120.0° |
C32 | C27 | C26 | H13 | 99.4° | 67.9° |
C32 | C27 | C28 | H17 | 15.7° | 70.4° |
C33 | C32 | C27 | C26 | 69.9° | 175.0° |
C32 | C33 | C34 | H8 | 120.1° | 120.0° |
C32 | C33 | C34 | H9 | 120.2° | 120.0° |
C32 | C33 | C34 | O35 | 99.1° | 180.0° |
C32 | C33 | C34 | H6 | 20.8° | 60.0° |
C32 | C33 | C34 | H7 | 141.2° | 60.1° |
C32 | C33 | H8 | H9 | 119.5° | 120.0° |
C33 | C32 | H10 | H11 | 118.7° | 120.0° |
C33 | C32 | C27 | H12 | 176.2° | 54.7° |
C23 | C24 | C25 | C26 | 179.2° | 162.8° |
C23 | C24 | C25 | H15 | 60.0° | 76.9° |
C23 | C24 | C25 | H16 | 58.4° | 42.7° |
C23 | C24 | C29 | H19 | 7.9° | 0.4° |
C24 | C23 | C22 | H21 | 1.6° | 0.1° |
C19 | C18 | C17 | O21 | 113.0° | 120.0° |
C19 | C18 | C17 | C16 | 179.6° | 55.0° |
C19 | C18 | C17 | H40 | 58.4° | 175.0° |
C19 | C18 | C17 | H41 | 59.2° | 65.0° |
C19 | C18 | O21 | H42 | 54.1° | 179.9° |
C19 | C18 | C20 | H43 | 180.0° | 60.1° |
C19 | C18 | C20 | H44 | 60.0° | 180.0° |
C19 | C18 | C20 | H45 | 60.0° | 60.0° |
C18 | C19 | H46 | H47 | 120.0° | 120.0° |
C18 | C19 | H46 | H48 | 120.0° | 120.1° |
C18 | C19 | H47 | H48 | 120.0° | 120.0° |
C18 | C17 | C16 | H40 | 121.2° | 119.9° |
C18 | C17 | C16 | H41 | 121.2° | 120.0° |
C18 | C17 | C16 | C15 | 162.6° | 180.0° |
C18 | C17 | C16 | H38 | 77.2° | 60.0° |
C18 | C17 | C16 | H39 | 42.4° | 60.0° |
C18 | C17 | H40 | H41 | 116.2° | 120.0° |
C17 | C18 | O21 | H42 | 55.2° | 60.0° |
C17 | C18 | C20 | H43 | 64.7° | 180.0° |
C17 | C18 | C20 | H44 | 55.3° | 60.0° |
C17 | C18 | C20 | H45 | 175.3° | 60.0° |
C17 | C18 | C19 | H46 | 58.5° | 60.0° |
C17 | C18 | C19 | H47 | 178.6° | 180.0° |
C17 | C18 | C19 | H48 | 61.4° | 60.0° |
O21 | C18 | C17 | C16 | 66.7° | 65.0° |
O21 | C18 | C17 | H40 | 54.5° | 55.0° |
O21 | C18 | C17 | H41 | 172.1° | 175.0° |
O21 | C18 | C20 | H43 | 57.9° | 59.9° |
O21 | C18 | C20 | H44 | 177.8° | 60.1° |
O21 | C18 | C20 | H45 | 62.1° | 180.0° |
O21 | C18 | C19 | H46 | 55.3° | 60.0° |
O21 | C18 | C19 | H47 | 64.7° | 60.0° |
O21 | C18 | C19 | H48 | 175.3° | 180.0° |
C24 | C25 | C26 | C27 | 26.9° | 49.8° |
C24 | C25 | C26 | H15 | 120.8° | 120.3° |
C24 | C25 | C26 | H16 | 120.8° | 120.1° |
C24 | C25 | C26 | O31 | 146.7° | 169.5° |
C24 | C25 | C26 | H13 | 94.5° | 70.0° |
C24 | C25 | H15 | H16 | 117.5° | 119.6° |
C25 | C24 | C29 | H19 | 175.2° | 179.6° |
C25 | C24 | C23 | H20 | 8.5° | 179.9° |
C17 | C16 | C15 | H38 | 120.2° | 120.1° |
C17 | C16 | C15 | H39 | 120.2° | 120.0° |
C17 | C16 | C15 | C12 | 176.9° | 180.0° |
C17 | C16 | C15 | H36 | 57.5° | 60.0° |
C17 | C16 | C15 | H37 | 63.7° | 60.0° |
C17 | C16 | H38 | H39 | 119.3° | 120.0° |
C16 | C17 | H40 | H41 | 116.2° | 120.1° |
C16 | C15 | C12 | C9 | 139.6° | 174.4° |
C16 | C15 | C12 | H36 | 119.4° | 120.0° |
C16 | C15 | C12 | H37 | 119.4° | 120.0° |
C16 | C15 | C12 | C14 | 88.9° | 65.6° |
C16 | C15 | C12 | H32 | 22.3° | 54.3° |
C16 | C15 | H36 | H37 | 121.8° | 120.0° |
C15 | C16 | H38 | H39 | 119.4° | 120.0° |
C15 | C16 | C17 | H40 | 41.4° | 60.0° |
C15 | C16 | C17 | H41 | 76.2° | 60.1° |
C27 | C26 | C25 | O31 | 119.8° | 119.7° |
C27 | C26 | C25 | H13 | 121.4° | 119.8° |
C27 | C26 | O31 | H13 | 132.2° | 120.4° |
C26 | C27 | C32 | H10 | 50.5° | 55.0° |
C26 | C27 | C32 | H11 | 169.6° | 65.0° |
C27 | C26 | O31 | H14 | 180.0° | 180.0° |
C27 | C26 | C25 | H15 | 147.7° | 70.4° |
C27 | C26 | C25 | H16 | 93.9° | 169.9° |
C26 | C27 | C28 | H17 | 167.0° | 169.9° |
C33 | C34 | O35 | H6 | 119.8° | 120.0° |
C33 | C34 | O35 | H7 | 119.8° | 119.9° |
C33 | C34 | O35 | H5 | 180.0° | 180.0° |
C33 | C34 | H6 | H7 | 120.6° | 120.0° |
C34 | C33 | H8 | H9 | 119.5° | 120.0° |
C34 | C33 | C32 | H10 | 50.7° | 60.0° |
C34 | C33 | C32 | H11 | 68.4° | 60.0° |
O35 | C34 | H6 | H7 | 120.6° | 120.0° |
O35 | C34 | C33 | H8 | 140.8° | 60.0° |
O35 | C34 | C33 | H9 | 21.1° | 60.0° |
C12 | C9 | C8 | H26 | 113.3° | 121.4° |
C9 | C12 | C15 | C14 | 131.4° | 120.0° |
C9 | C12 | C15 | H32 | 117.3° | 120.0° |
C9 | C12 | C14 | H32 | 112.9° | 120.0° |
C12 | C9 | C8 | C7 | 155.5° | 119.5° |
C12 | C9 | C8 | H24 | 85.0° | 0.2° |
C12 | C9 | C8 | H25 | 36.1° | 121.2° |
C9 | C12 | C14 | H33 | 180.0° | 55.0° |
C9 | C12 | C14 | H34 | 60.0° | 174.9° |
C9 | C12 | C14 | H35 | 60.0° | 65.1° |
C9 | C12 | C15 | H36 | 100.9° | 54.4° |
C9 | C12 | C15 | H37 | 20.2° | 65.6° |
C8 | C9 | C12 | C15 | 56.2° | 50.6° |
C8 | C9 | C12 | C14 | 73.2° | 69.4° |
C9 | C8 | C7 | H24 | 119.4° | 119.3° |
C9 | C8 | C7 | H25 | 119.5° | 119.4° |
C9 | C8 | C7 | H22 | 150.7° | 141.7° |
C9 | C8 | C7 | H23 | 87.7° | 95.7° |
C9 | C8 | H24 | H25 | 121.6° | 121.4° |
C8 | C9 | C12 | H32 | 173.7° | 170.6° |
C15 | C12 | C14 | H32 | 111.2° | 120.0° |
C15 | C12 | C9 | H26 | 169.6° | 172.0° |
C15 | C12 | C14 | H33 | 44.1° | 175.0° |
C15 | C12 | C14 | H34 | 75.9° | 65.1° |
C15 | C12 | C14 | H35 | 164.1° | 54.9° |
C12 | C15 | H36 | H37 | 121.7° | 120.0° |
C12 | C15 | C16 | H38 | 62.9° | 60.0° |
C12 | C15 | C16 | H39 | 56.7° | 60.0° |
C14 | C12 | C9 | H26 | 40.3° | 52.0° |
C12 | C14 | H33 | H34 | 120.0° | 120.0° |
C12 | C14 | H33 | H35 | 120.0° | 120.0° |
C12 | C14 | H34 | H35 | 120.0° | 120.0° |
C14 | C12 | C15 | H36 | 30.5° | 174.4° |
C14 | C12 | C15 | H37 | 151.6° | 54.4° |
C8 | C7 | C4 | H2 | 79.5° | 81.0° |
C8 | C7 | H22 | H23 | 122.4° | 122.6° |
C7 | C8 | H24 | H25 | 121.6° | 121.4° |
C7 | C8 | C9 | H26 | 91.2° | 119.2° |
C25 | C26 | O31 | H13 | 117.2° | 120.6° |
C25 | C26 | C27 | H12 | 32.9° | 51.7° |
C25 | C26 | O31 | H14 | 69.4° | 61.0° |
C26 | C25 | H15 | H16 | 117.5° | 119.7° |
O31 | C26 | C27 | H12 | 72.5° | 68.0° |
O31 | C26 | C25 | H15 | 92.5° | 49.3° |
O31 | C26 | C25 | H16 | 25.9° | 70.4° |
H1 | C2 | C1 | H30 | 34.1° | 37.2° |
H1 | C2 | C1 | H31 | 85.1° | 82.6° |
H2 | C4 | C7 | H22 | 39.7° | 37.6° |
H2 | C4 | C7 | H23 | 161.4° | 160.3° |
H3 | C6 | C1 | H30 | 48.4° | 66.2° |
H3 | C6 | C1 | H31 | 167.6° | 53.7° |
H4 | C6 | C1 | H30 | 70.5° | 53.8° |
H4 | C6 | C1 | H31 | 48.7° | 173.6° |
H5 | O35 | C34 | H6 | 60.2° | 60.0° |
H5 | O35 | C34 | H7 | 60.2° | 60.0° |
H6 | C34 | C33 | H8 | 99.4° | 180.0° |
H6 | C34 | C33 | H9 | 140.9° | 60.0° |
H7 | C34 | C33 | H8 | 21.0° | 60.0° |
H7 | C34 | C33 | H9 | 98.7° | 180.0° |
H8 | C33 | C32 | H10 | 170.8° | 180.0° |
H8 | C33 | C32 | H11 | 51.7° | 60.0° |
H9 | C33 | C32 | H10 | 69.5° | 60.0° |
H9 | C33 | C32 | H11 | 171.4° | 180.0° |
H10 | C32 | C27 | H12 | 55.7° | 65.4° |
H11 | C32 | C27 | H12 | 63.4° | 174.6° |
H12 | C27 | C26 | H13 | 154.4° | 171.6° |
H12 | C27 | C28 | H17 | 90.2° | 50.1° |
H13 | C26 | O31 | H14 | 47.8° | 59.6° |
H13 | C26 | C25 | H15 | 26.3° | 169.8° |
H13 | C26 | C25 | H16 | 144.7° | 50.1° |
H17 | C28 | O30 | H18 | 58.0° | 60.2° |
H17 | C28 | C29 | H19 | 21.9° | 42.7° |
H20 | C23 | C22 | H21 | 178.4° | 180.0° |
H22 | C7 | C8 | H24 | 89.9° | 22.4° |
H22 | C7 | C8 | H25 | 31.2° | 98.9° |
H23 | C7 | C8 | H24 | 31.8° | 144.9° |
H23 | C7 | C8 | H25 | 152.8° | 23.6° |
H24 | C8 | C9 | H26 | 28.3° | 121.5° |
H25 | C8 | C9 | H26 | 149.4° | 0.2° |
H26 | C9 | C12 | H32 | 72.9° | 67.9° |
H27 | C10 | H28 | H29 | 120.0° | 120.0° |
H32 | C12 | C14 | H33 | 67.1° | 65.1° |
H32 | C12 | C14 | H34 | 172.9° | 54.9° |
H32 | C12 | C14 | H35 | 52.9° | 174.9° |
H32 | C12 | C15 | H36 | 141.7° | 65.7° |
H32 | C12 | C15 | H37 | 97.1° | 174.4° |
H33 | C14 | H34 | H35 | 120.0° | 120.1° |
H36 | C15 | C16 | H38 | 177.7° | 179.9° |
H36 | C15 | C16 | H39 | 62.7° | 60.0° |
H37 | C15 | C16 | H38 | 56.5° | 60.0° |
H37 | C15 | C16 | H39 | 176.1° | 180.0° |
H38 | C16 | C17 | H40 | 161.6° | 180.0° |
H38 | C16 | C17 | H41 | 44.0° | 60.0° |
H39 | C16 | C17 | H40 | 78.8° | 59.9° |
H39 | C16 | C17 | H41 | 163.6° | 180.0° |
H43 | C20 | H44 | H45 | 120.0° | 120.0° |
H46 | C19 | H47 | H48 | 120.0° | 120.0° |