Y71
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C18 | C21 | sing | 1.57Å | 1.53Å | |
C18 | C17 | sing | 1.57Å | 1.53Å | |
O2 | C11 | doub | 1.21Å | 1.24Å | |
C21 | C22 | sing | 1.57Å | 1.55Å | |
C21 | C20 | sing | 1.53Å | 1.50Å | |
C17 | C16 | sing | 1.56Å | 1.56Å | |
C17 | C19 | sing | 1.53Å | 1.50Å | |
C22 | C16 | sing | 1.55Å | 1.54Å | |
C16 | C15 | sing | 1.53Å | 1.51Å | |
C11 | N3 | sing | 1.34Å | 1.32Å | |
C11 | C10 | sing | 1.51Å | 1.52Å | |
N3 | C12 | sing | 1.47Å | 1.46Å | |
C20 | C19 | doub | 1.32Å | 1.32Å | |
O1 | C1 | doub | 1.22Å | 1.21Å | |
C10 | C9 | sing | 1.53Å | 1.52Å | |
C10 | C13 | sing | 1.55Å | 1.52Å | |
C1 | O5 | sing | 1.35Å | 1.34Å | |
C1 | N1 | sing | 1.35Å | 1.34Å | |
C15 | O5 | sing | 1.45Å | 1.45Å | |
C12 | C13 | sing | 1.54Å | 1.52Å | |
C6 | C4 | sing | 1.53Å | 1.52Å | |
C9 | C8 | sing | 1.53Å | 1.53Å | |
N1 | C2 | sing | 1.46Å | 1.45Å | |
C2 | C7 | sing | 1.51Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
N2 | C8 | sing | 1.46Å | 1.46Å | |
N2 | C7 | sing | 1.35Å | 1.34Å | |
C8 | C14 | sing | 1.53Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C7 | O4 | doub | 1.21Å | 1.23Å | |
C14 | O3 | sing | 1.43Å | 1.42Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C12 | H2 | sing | 1.09Å | 1.10Å | |
C12 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C14 | H6 | sing | 1.09Å | 1.10Å | |
C14 | S1 | sing | 1.81Å | 1.07Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
C17 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C19 | H14 | sing | 1.08Å | 1.08Å | |
C2 | H16 | sing | 1.09Å | 1.10Å | |
C20 | H17 | sing | 1.08Å | 1.08Å | |
C21 | H19 | sing | 1.09Å | 1.10Å | |
C22 | H20 | sing | 1.09Å | 1.10Å | |
C22 | H21 | sing | 1.09Å | 1.10Å | |
C3 | H22 | sing | 1.09Å | 1.10Å | |
C3 | H23 | sing | 1.09Å | 1.10Å | |
C4 | H24 | sing | 1.09Å | 1.10Å | |
C5 | H25 | sing | 1.09Å | 1.10Å | |
C5 | H26 | sing | 1.09Å | 1.10Å | |
C5 | H27 | sing | 1.09Å | 1.10Å | |
C6 | H28 | sing | 1.09Å | 1.10Å | |
C6 | H29 | sing | 1.09Å | 1.10Å | |
C6 | H30 | sing | 1.09Å | 1.10Å | |
C8 | H31 | sing | 1.09Å | 1.10Å | |
C9 | H32 | sing | 1.09Å | 1.10Å | |
C9 | H33 | sing | 1.09Å | 1.10Å | |
N1 | H34 | sing | 0.97Å | 1.00Å | |
N2 | H35 | sing | 0.97Å | 1.00Å | |
N3 | H36 | sing | 0.97Å | 1.00Å | |
O3 | H37 | sing | 0.97Å | 0.95Å | |
S1 | O8 | sing | 1.52Å | 34.33Å | |
S1 | O6 | doub | 1.42Å | 34.33Å | |
S1 | O7 | doub | 1.42Å | 34.33Å | |
O8 | H7 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C21 | C18 | C17 | 93.2° | 93.3° |
C18 | C21 | C22 | 100.7° | 100.4° |
C18 | C21 | C20 | 99.8° | 99.8° |
C21 | C18 | H12 | 113.3° | 112.5° |
C21 | C18 | H13 | 113.4° | 112.5° |
C18 | C21 | H19 | 115.8° | 116.7° |
C18 | C17 | C16 | 99.9° | 100.4° |
C18 | C17 | C19 | 100.4° | 99.8° |
C18 | C17 | H11 | 115.8° | 117.3° |
C17 | C18 | H12 | 113.4° | 112.5° |
C17 | C18 | H13 | 113.4° | 112.6° |
O2 | C11 | N3 | 125.6° | 124.9° |
O2 | C11 | C10 | 125.7° | 125.0° |
C22 | C21 | C20 | 106.4° | 104.1° |
C21 | C22 | C16 | 103.1° | 103.5° |
C22 | C21 | H19 | 115.5° | 116.2° |
C21 | C22 | H20 | 111.1° | 110.6° |
C21 | C22 | H21 | 111.1° | 110.6° |
C21 | C20 | C19 | 107.6° | 108.4° |
C21 | C20 | H17 | 126.2° | 125.8° |
C20 | C21 | H19 | 116.4° | 117.0° |
C16 | C17 | C19 | 107.0° | 104.1° |
C17 | C16 | C22 | 102.5° | 103.8° |
C17 | C16 | C15 | 114.2° | 110.5° |
C17 | C16 | H10 | 108.5° | 110.5° |
C16 | C17 | H11 | 115.2° | 116.3° |
C17 | C19 | C20 | 107.6° | 108.4° |
C19 | C17 | H11 | 116.4° | 116.3° |
C17 | C19 | H14 | 126.2° | 125.8° |
C22 | C16 | C15 | 113.4° | 110.6° |
C22 | C16 | H10 | 108.8° | 110.6° |
C16 | C22 | H20 | 111.0° | 110.7° |
C16 | C22 | H21 | 111.0° | 110.5° |
C16 | C15 | O5 | 108.8° | 109.4° |
C16 | C15 | H8 | 109.6° | 109.5° |
C16 | C15 | H9 | 109.6° | 109.5° |
C15 | C16 | H10 | 109.1° | 110.6° |
N3 | C11 | C10 | 108.7° | 110.1° |
C11 | N3 | C12 | 113.6° | 111.3° |
C11 | N3 | H36 | 123.2° | 124.3° |
C11 | C10 | C9 | 113.6° | 110.5° |
C11 | C10 | C13 | 103.1° | 104.2° |
C11 | C10 | H1 | 108.4° | 110.6° |
N3 | C12 | C13 | 102.5° | 105.5° |
N3 | C12 | H2 | 111.2° | 110.2° |
N3 | C12 | H3 | 111.2° | 110.3° |
C12 | N3 | H36 | 123.2° | 124.4° |
C20 | C19 | H14 | 126.2° | 125.8° |
C19 | C20 | H17 | 126.2° | 125.8° |
O1 | C1 | O5 | 125.4° | 120.0° |
O1 | C1 | N1 | 124.2° | 120.0° |
C9 | C10 | C13 | 114.9° | 110.5° |
C10 | C9 | C8 | 113.2° | 109.5° |
C9 | C10 | H1 | 108.3° | 110.4° |
C10 | C9 | H32 | 108.5° | 109.4° |
C10 | C9 | H33 | 108.5° | 109.5° |
C10 | C13 | C12 | 104.0° | 101.7° |
C13 | C10 | H1 | 108.3° | 110.5° |
C10 | C13 | H4 | 110.8° | 111.0° |
C10 | C13 | H5 | 110.8° | 110.9° |
O5 | C1 | N1 | 110.1° | 120.0° |
C1 | O5 | C15 | 116.7° | 116.9° |
C1 | N1 | C2 | 119.7° | 120.0° |
C1 | N1 | H34 | 120.1° | 120.0° |
O5 | C15 | H8 | 109.6° | 109.5° |
O5 | C15 | H9 | 109.6° | 109.5° |
C13 | C12 | H2 | 111.2° | 110.2° |
C13 | C12 | H3 | 111.2° | 110.3° |
C12 | C13 | H4 | 110.8° | 111.0° |
C12 | C13 | H5 | 110.8° | 111.0° |
C6 | C4 | C3 | 111.2° | 109.5° |
C6 | C4 | C5 | 110.5° | 109.4° |
C6 | C4 | H24 | 108.1° | 109.5° |
C4 | C6 | H28 | 109.5° | 109.5° |
C4 | C6 | H29 | 109.4° | 109.5° |
C4 | C6 | H30 | 109.4° | 109.5° |
C9 | C8 | N2 | 110.6° | 109.5° |
C9 | C8 | C14 | 111.7° | 109.5° |
C9 | C8 | H31 | 107.8° | 109.5° |
C8 | C9 | H32 | 108.5° | 109.5° |
C8 | C9 | H33 | 108.5° | 109.5° |
N1 | C2 | C7 | 111.6° | 109.5° |
N1 | C2 | C3 | 110.8° | 109.5° |
N1 | C2 | H16 | 108.6° | 109.4° |
C2 | N1 | H34 | 120.2° | 120.0° |
C7 | C2 | C3 | 110.6° | 109.5° |
C2 | C7 | N2 | 116.6° | 120.0° |
C2 | C7 | O4 | 120.4° | 120.0° |
C7 | C2 | H16 | 107.6° | 109.5° |
C2 | C3 | C4 | 115.2° | 109.5° |
C3 | C2 | H16 | 107.6° | 109.5° |
C2 | C3 | H22 | 108.1° | 109.4° |
C2 | C3 | H23 | 108.0° | 109.5° |
C8 | N2 | C7 | 123.3° | 120.0° |
N2 | C8 | C14 | 110.2° | 109.5° |
N2 | C8 | H31 | 108.6° | 109.5° |
C8 | N2 | H35 | 118.4° | 120.0° |
N2 | C7 | O4 | 123.0° | 120.0° |
C7 | N2 | H35 | 118.3° | 120.0° |
C8 | C14 | O3 | 111.3° | 109.5° |
C8 | C14 | H6 | 107.0° | 109.4° |
C8 | C14 | S1 | 108.0° | 109.4° |
C14 | C8 | H31 | 107.9° | 109.4° |
C3 | C4 | C5 | 110.9° | 109.5° |
C4 | C3 | H22 | 108.0° | 109.5° |
C4 | C3 | H23 | 108.0° | 109.5° |
C3 | C4 | H24 | 108.0° | 109.5° |
C5 | C4 | H24 | 108.0° | 109.4° |
C4 | C5 | H25 | 109.5° | 109.5° |
C4 | C5 | H26 | 109.5° | 109.5° |
C4 | C5 | H27 | 109.5° | 109.5° |
O3 | C14 | H6 | 108.1° | 109.5° |
O3 | C14 | S1 | 108.1° | 109.5° |
C14 | O3 | H37 | 109.5° | 114.0° |
H2 | C12 | H3 | 109.4° | 110.3° |
H4 | C13 | H5 | 109.5° | 110.9° |
H6 | C14 | S1 | 114.4° | 109.5° |
C14 | S1 | O8 | 143.6° | 104.4° |
C14 | S1 | O6 | 143.6° | 110.6° |
C14 | S1 | O7 | 143.6° | 110.5° |
H8 | C15 | H9 | 109.5° | 109.5° |
H12 | C18 | H13 | 109.5° | 112.2° |
H20 | C22 | H21 | 109.5° | 110.7° |
H22 | C3 | H23 | 109.5° | 109.5° |
H25 | C5 | H26 | 109.4° | 109.5° |
H25 | C5 | H27 | 109.5° | 109.4° |
H26 | C5 | H27 | 109.5° | 109.5° |
H28 | C6 | H29 | 109.5° | 109.4° |
H28 | C6 | H30 | 109.4° | 109.5° |
H29 | C6 | H30 | 109.5° | 109.5° |
H32 | C9 | H33 | 109.5° | 109.5° |
O8 | S1 | O6 | 0.0° | 104.3° |
O8 | S1 | O7 | 0.0° | 104.3° |
S1 | O8 | H7 | 90.0° | 114.0° |
O6 | S1 | O7 | 0.0° | 121.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C21 | C18 | C17 | H12 | 117.2° | 116.0° |
C21 | C18 | C17 | H13 | 117.2° | 116.1° |
C18 | C21 | C22 | C20 | 103.7° | 103.0° |
C18 | C21 | C22 | H19 | 125.5° | 126.8° |
C18 | C21 | C20 | H19 | 125.4° | 126.8° |
C21 | C18 | C17 | C16 | 59.3° | 57.0° |
C21 | C18 | C17 | C19 | 50.2° | 49.5° |
C18 | C21 | C22 | C16 | 35.1° | 36.4° |
C18 | C21 | C20 | C19 | 34.8° | 33.3° |
C21 | C18 | C17 | H11 | 176.4° | 176.0° |
C21 | C18 | H12 | H13 | 127.7° | 128.0° |
C18 | C21 | C20 | H17 | 145.2° | 146.6° |
C18 | C21 | C22 | H20 | 154.1° | 82.2° |
C18 | C21 | C22 | H21 | 83.8° | 154.8° |
C17 | C18 | C21 | C22 | 58.1° | 57.0° |
C17 | C18 | C21 | C20 | 50.8° | 49.4° |
C18 | C17 | C16 | C19 | 104.2° | 103.0° |
C18 | C17 | C16 | H11 | 124.8° | 127.7° |
C18 | C17 | C19 | H11 | 125.8° | 127.2° |
C18 | C17 | C16 | C22 | 38.9° | 36.2° |
C18 | C17 | C16 | C15 | 161.9° | 154.9° |
C18 | C17 | C19 | C20 | 32.8° | 33.4° |
C18 | C17 | C16 | H10 | 76.1° | 82.4° |
C17 | C18 | H12 | H13 | 127.6° | 128.1° |
C18 | C17 | C19 | H14 | 147.2° | 146.7° |
C17 | C18 | C21 | H19 | 176.6° | 176.5° |
O2 | C11 | N3 | C10 | 178.6° | 180.0° |
O2 | C11 | N3 | C12 | 174.8° | 179.6° |
O2 | C11 | C10 | C9 | 42.1° | 45.1° |
O2 | C11 | C10 | C13 | 167.0° | 163.7° |
O2 | C11 | C10 | H1 | 78.3° | 77.5° |
O2 | C11 | N3 | H36 | 5.3° | 0.4° |
C22 | C21 | C20 | H19 | 130.3° | 129.7° |
C21 | C22 | C16 | C17 | 2.2° | 0.1° |
C21 | C22 | C16 | H20 | 119.0° | 118.5° |
C21 | C22 | C16 | H21 | 119.0° | 118.4° |
C21 | C22 | C16 | C15 | 125.8° | 118.5° |
C22 | C21 | C20 | C19 | 69.5° | 70.1° |
C21 | C22 | C16 | H10 | 112.6° | 118.7° |
C22 | C21 | C18 | H12 | 59.1° | 173.1° |
C22 | C21 | C18 | H13 | 175.3° | 59.1° |
C22 | C21 | C20 | H17 | 110.5° | 110.0° |
C21 | C22 | H20 | H21 | 123.0° | 122.9° |
C21 | C20 | C19 | C17 | 1.3° | 0.1° |
C20 | C21 | C22 | C16 | 68.6° | 66.6° |
C21 | C20 | C19 | H17 | 180.0° | 179.9° |
C20 | C21 | C18 | H12 | 168.0° | 66.6° |
C20 | C21 | C18 | H13 | 66.4° | 165.6° |
C21 | C20 | C19 | H14 | 178.7° | 180.0° |
C20 | C21 | C22 | H20 | 50.4° | 174.8° |
C20 | C21 | C22 | H21 | 172.5° | 51.8° |
C16 | C17 | C19 | H11 | 130.4° | 129.3° |
C17 | C16 | C22 | C15 | 123.6° | 118.6° |
C17 | C16 | C22 | H10 | 114.8° | 118.6° |
C17 | C16 | C15 | H10 | 121.7° | 122.7° |
C16 | C17 | C19 | C20 | 71.0° | 70.1° |
C17 | C16 | C15 | O5 | 45.1° | 177.1° |
C17 | C16 | C15 | H8 | 74.8° | 57.1° |
C17 | C16 | C15 | H9 | 165.0° | 62.9° |
C16 | C17 | C18 | H12 | 57.9° | 173.0° |
C16 | C17 | C18 | H13 | 176.5° | 59.1° |
C16 | C17 | C19 | H14 | 109.0° | 109.9° |
C17 | C16 | C22 | H20 | 116.8° | 118.4° |
C17 | C16 | C22 | H21 | 121.2° | 118.6° |
C19 | C17 | C16 | C22 | 65.3° | 66.7° |
C19 | C17 | C16 | C15 | 57.7° | 51.9° |
C17 | C19 | C20 | H14 | 180.0° | 179.9° |
C19 | C17 | C16 | H10 | 179.7° | 174.6° |
C19 | C17 | C18 | H12 | 167.4° | 66.6° |
C19 | C17 | C18 | H13 | 67.0° | 165.5° |
C17 | C19 | C20 | H17 | 178.6° | 180.0° |
C22 | C16 | C15 | H10 | 121.4° | 122.9° |
C22 | C16 | C15 | O5 | 162.0° | 68.5° |
C22 | C16 | C15 | H8 | 42.1° | 171.5° |
C22 | C16 | C15 | H9 | 78.1° | 51.5° |
C22 | C16 | C17 | H11 | 163.6° | 164.0° |
C16 | C22 | C21 | H19 | 160.6° | 163.2° |
C16 | C22 | H20 | H21 | 122.9° | 122.9° |
C16 | C15 | O5 | C1 | 105.1° | 180.0° |
C16 | C15 | O5 | H8 | 119.9° | 120.0° |
C16 | C15 | O5 | H9 | 119.9° | 120.0° |
C16 | C15 | H8 | H9 | 120.3° | 120.0° |
C15 | C16 | C17 | H11 | 73.4° | 77.4° |
C15 | C16 | C22 | H20 | 6.8° | 123.0° |
C15 | C16 | C22 | H21 | 115.2° | 0.0° |
C11 | N3 | C12 | H36 | 180.0° | 179.9° |
N3 | C11 | C10 | C9 | 139.3° | 134.9° |
N3 | C11 | C10 | C13 | 14.4° | 16.3° |
C11 | N3 | C12 | C13 | 20.3° | 17.1° |
N3 | C11 | C10 | H1 | 100.3° | 102.5° |
C11 | N3 | C12 | H2 | 98.5° | 136.0° |
C11 | N3 | C12 | H3 | 139.2° | 102.0° |
C10 | C11 | N3 | C12 | 3.8° | 0.4° |
C11 | C10 | C9 | C13 | 118.4° | 114.8° |
C11 | C10 | C9 | H1 | 120.4° | 122.7° |
C11 | C10 | C13 | H1 | 114.7° | 118.9° |
C11 | C10 | C13 | C12 | 25.8° | 24.8° |
C11 | C10 | C9 | C8 | 180.0° | 179.7° |
C11 | C10 | C13 | H4 | 93.3° | 93.3° |
C11 | C10 | C13 | H5 | 144.9° | 143.0° |
C11 | C10 | C9 | H32 | 59.4° | 59.7° |
C11 | C10 | C9 | H33 | 59.5° | 60.3° |
C10 | C11 | N3 | H36 | 176.1° | 179.6° |
N3 | C12 | C13 | C10 | 27.7° | 25.5° |
N3 | C12 | C13 | H2 | 118.9° | 118.9° |
N3 | C12 | C13 | H3 | 118.9° | 119.1° |
N3 | C12 | H2 | H3 | 123.3° | 122.0° |
N3 | C12 | C13 | H4 | 91.5° | 92.7° |
N3 | C12 | C13 | H5 | 146.8° | 143.6° |
C20 | C19 | C17 | H11 | 158.5° | 160.6° |
C19 | C20 | C21 | H19 | 160.2° | 160.1° |
O1 | C1 | O5 | N1 | 174.6° | 179.6° |
O1 | C1 | O5 | C15 | 32.2° | 0.3° |
O1 | C1 | N1 | C2 | 13.7° | 0.3° |
O1 | C1 | N1 | H34 | 166.3° | 179.7° |
C9 | C10 | C13 | H1 | 121.2° | 122.5° |
C9 | C10 | C13 | C12 | 149.9° | 143.5° |
C10 | C9 | C8 | H32 | 120.6° | 120.0° |
C10 | C9 | C8 | H33 | 120.5° | 120.0° |
C10 | C9 | C8 | N2 | 65.4° | 65.3° |
C10 | C9 | C8 | C14 | 171.5° | 174.7° |
C9 | C10 | C13 | H4 | 30.8° | 25.4° |
C9 | C10 | C13 | H5 | 91.0° | 98.4° |
C10 | C9 | C8 | H31 | 53.1° | 54.8° |
C10 | C9 | H32 | H33 | 118.3° | 120.0° |
C10 | C13 | C12 | H4 | 119.1° | 118.1° |
C10 | C13 | C12 | H5 | 119.1° | 118.1° |
C13 | C10 | C9 | C8 | 61.6° | 64.9° |
C10 | C13 | C12 | H2 | 91.2° | 144.4° |
C10 | C13 | C12 | H3 | 146.6° | 93.7° |
C10 | C13 | H4 | H5 | 122.5° | 123.8° |
C13 | C10 | C9 | H32 | 59.0° | 55.1° |
C13 | C10 | C9 | H33 | 177.9° | 175.1° |
O5 | C1 | N1 | C2 | 161.0° | 180.0° |
C1 | O5 | C15 | H8 | 135.0° | 60.0° |
C1 | O5 | C15 | H9 | 14.8° | 60.0° |
O5 | C1 | N1 | H34 | 19.0° | 0.0° |
N1 | C1 | O5 | C15 | 142.3° | 180.0° |
C1 | N1 | C2 | H34 | 180.0° | 180.0° |
C1 | N1 | C2 | C7 | 55.9° | 155.0° |
C1 | N1 | C2 | C3 | 179.6° | 85.0° |
C1 | N1 | C2 | H16 | 62.4° | 35.0° |
O5 | C15 | H8 | H9 | 120.3° | 120.0° |
O5 | C15 | C16 | H10 | 76.6° | 54.3° |
C12 | C13 | C10 | H1 | 88.9° | 94.0° |
C13 | C12 | H2 | H3 | 123.2° | 122.0° |
C12 | C13 | H4 | H5 | 122.5° | 123.8° |
C13 | C12 | N3 | H36 | 159.6° | 163.0° |
C6 | C4 | C3 | C2 | 58.0° | 65.1° |
C6 | C4 | C3 | C5 | 123.4° | 120.0° |
C6 | C4 | C3 | H24 | 118.4° | 120.1° |
C6 | C4 | C5 | H24 | 118.1° | 120.0° |
C6 | C4 | C3 | H22 | 178.8° | 175.0° |
C6 | C4 | C3 | H23 | 62.8° | 55.0° |
C6 | C4 | C5 | H25 | 180.0° | 60.1° |
C6 | C4 | C5 | H26 | 60.0° | 60.0° |
C6 | C4 | C5 | H27 | 60.0° | 180.0° |
C4 | C6 | H28 | H29 | 120.0° | 120.0° |
C4 | C6 | H28 | H30 | 120.0° | 120.0° |
C4 | C6 | H29 | H30 | 120.0° | 120.0° |
C9 | C8 | N2 | C14 | 124.0° | 120.0° |
C9 | C8 | N2 | H31 | 118.0° | 120.0° |
C9 | C8 | N2 | C7 | 121.5° | 153.7° |
C9 | C8 | C14 | H31 | 118.3° | 120.0° |
C9 | C8 | C14 | O3 | 63.4° | 55.0° |
C8 | C9 | C10 | H1 | 59.6° | 57.6° |
C9 | C8 | C14 | H6 | 178.7° | 175.0° |
C9 | C8 | C14 | S1 | 55.1° | 65.0° |
C8 | C9 | H32 | H33 | 118.3° | 120.0° |
C9 | C8 | N2 | H35 | 58.5° | 26.3° |
N1 | C2 | C7 | C3 | 123.8° | 120.0° |
N1 | C2 | C7 | H16 | 119.0° | 120.0° |
N1 | C2 | C3 | H16 | 118.5° | 120.0° |
N1 | C2 | C7 | N2 | 130.4° | 180.0° |
N1 | C2 | C3 | C4 | 59.1° | 65.0° |
N1 | C2 | C7 | O4 | 48.1° | 0.1° |
N1 | C2 | C3 | H22 | 61.7° | 55.0° |
N1 | C2 | C3 | H23 | 179.9° | 175.0° |
C7 | C2 | C3 | H16 | 117.2° | 120.0° |
C2 | C7 | N2 | C8 | 179.6° | 180.0° |
C2 | C7 | N2 | O4 | 178.5° | 179.9° |
C7 | C2 | C3 | C4 | 176.6° | 175.0° |
C7 | C2 | C3 | H22 | 62.6° | 65.0° |
C7 | C2 | C3 | H23 | 55.8° | 55.0° |
C7 | C2 | N1 | H34 | 124.1° | 25.0° |
C2 | C7 | N2 | H35 | 0.4° | 0.0° |
C3 | C2 | C7 | N2 | 105.8° | 60.0° |
C2 | C3 | C4 | H22 | 120.9° | 119.9° |
C2 | C3 | C4 | H23 | 120.8° | 120.0° |
C2 | C3 | C4 | C5 | 178.7° | 175.0° |
C3 | C2 | C7 | O4 | 75.7° | 120.0° |
C2 | C3 | H22 | H23 | 117.4° | 120.0° |
C2 | C3 | C4 | H24 | 60.5° | 55.0° |
C3 | C2 | N1 | H34 | 0.4° | 95.0° |
C8 | N2 | C7 | H35 | 180.0° | 180.0° |
N2 | C8 | C14 | H31 | 118.4° | 120.0° |
C8 | N2 | C7 | O4 | 1.9° | 0.1° |
N2 | C8 | C14 | O3 | 173.3° | 175.0° |
N2 | C8 | C14 | H6 | 55.4° | 65.0° |
N2 | C8 | C14 | S1 | 68.2° | 55.0° |
N2 | C8 | C9 | H32 | 174.1° | 174.8° |
N2 | C8 | C9 | H33 | 55.2° | 54.8° |
C7 | N2 | C8 | C14 | 114.5° | 86.3° |
N2 | C7 | C2 | H16 | 11.5° | 60.1° |
C7 | N2 | C8 | H31 | 3.4° | 33.6° |
C8 | C14 | O3 | H6 | 117.2° | 120.0° |
C8 | C14 | O3 | S1 | 118.5° | 120.0° |
C8 | C14 | H6 | S1 | 119.6° | 120.0° |
C14 | C8 | C9 | H32 | 51.0° | 54.8° |
C14 | C8 | C9 | H33 | 67.9° | 65.2° |
C14 | C8 | N2 | H35 | 65.5° | 93.7° |
C8 | C14 | O3 | H37 | 180.0° | 59.9° |
C8 | C14 | S1 | O8 | 70.9° | 175.0° |
C8 | C14 | S1 | O6 | 70.9° | 63.3° |
C8 | C14 | S1 | O7 | 70.9° | 73.4° |
C3 | C4 | C5 | H24 | 118.2° | 120.0° |
C4 | C3 | C2 | H16 | 59.4° | 55.0° |
C4 | C3 | H22 | H23 | 117.4° | 120.1° |
C3 | C4 | C5 | H25 | 56.2° | 59.9° |
C3 | C4 | C5 | H26 | 63.8° | 180.0° |
C3 | C4 | C5 | H27 | 176.2° | 60.0° |
C3 | C4 | C6 | H28 | 180.0° | 59.9° |
C3 | C4 | C6 | H29 | 60.0° | 60.0° |
C3 | C4 | C6 | H30 | 60.0° | 180.0° |
C5 | C4 | C3 | H22 | 57.8° | 55.1° |
C5 | C4 | C3 | H23 | 60.5° | 65.0° |
C4 | C5 | H25 | H26 | 120.0° | 120.1° |
C4 | C5 | H25 | H27 | 120.0° | 119.9° |
C4 | C5 | H26 | H27 | 120.0° | 120.0° |
C5 | C4 | C6 | H28 | 56.5° | 60.0° |
C5 | C4 | C6 | H29 | 63.6° | 180.0° |
C5 | C4 | C6 | H30 | 176.4° | 60.0° |
O4 | C7 | C2 | H16 | 167.1° | 120.0° |
O4 | C7 | N2 | H35 | 178.1° | 179.9° |
O3 | C14 | H6 | S1 | 120.5° | 120.0° |
O3 | C14 | C8 | H31 | 54.9° | 65.0° |
O3 | C14 | S1 | O8 | 49.7° | 55.0° |
O3 | C14 | S1 | O6 | 49.7° | 56.6° |
O3 | C14 | S1 | O7 | 49.7° | 166.6° |
H1 | C10 | C13 | H4 | 152.0° | 147.8° |
H1 | C10 | C13 | H5 | 30.2° | 24.1° |
H1 | C10 | C9 | H32 | 179.8° | 177.6° |
H1 | C10 | C9 | H33 | 60.9° | 62.4° |
H2 | C12 | C13 | H4 | 149.6° | 26.3° |
H2 | C12 | C13 | H5 | 27.9° | 97.5° |
H2 | C12 | N3 | H36 | 81.5° | 44.1° |
H3 | C12 | C13 | H4 | 27.4° | 148.2° |
H3 | C12 | C13 | H5 | 94.3° | 24.4° |
H3 | C12 | N3 | H36 | 40.8° | 77.9° |
H6 | C14 | C8 | H31 | 63.0° | 55.0° |
H6 | C14 | O3 | H37 | 62.8° | 179.9° |
H6 | C14 | S1 | O8 | 170.1° | 65.0° |
H6 | C14 | S1 | O6 | 170.1° | 176.7° |
H6 | C14 | S1 | O7 | 170.1° | 46.6° |
S1 | C14 | C8 | H31 | 173.4° | 175.0° |
S1 | C14 | O3 | H37 | 61.5° | 60.0° |
C14 | S1 | O8 | O6 | 90.0° | 116.1° |
C14 | S1 | O8 | O7 | 90.0° | 116.0° |
C14 | S1 | O6 | O7 | 90.0° | 131.5° |
C14 | S1 | O8 | H7 | 90.0° | 180.0° |
H8 | C15 | C16 | H10 | 163.5° | 65.6° |
H9 | C15 | C16 | H10 | 43.3° | 174.3° |
H10 | C16 | C17 | H11 | 48.6° | 45.3° |
H10 | C16 | C22 | H20 | 128.4° | 0.2° |
H10 | C16 | C22 | H21 | 6.4° | 122.8° |
H11 | C17 | C18 | H12 | 66.4° | 60.0° |
H11 | C17 | C18 | H13 | 59.2° | 68.0° |
H11 | C17 | C19 | H14 | 21.4° | 19.4° |
H12 | C18 | C21 | H19 | 66.2° | 60.5° |
H13 | C18 | C21 | H19 | 59.4° | 67.4° |
H14 | C19 | C20 | H17 | 1.3° | 0.1° |
H16 | C2 | C3 | H22 | 179.8° | 175.0° |
H16 | C2 | C3 | H23 | 61.4° | 65.0° |
H16 | C2 | N1 | H34 | 117.5° | 145.0° |
H17 | C20 | C21 | H19 | 19.8° | 19.8° |
H19 | C21 | C22 | H20 | 80.4° | 44.6° |
H19 | C21 | C22 | H21 | 41.7° | 78.4° |
H22 | C3 | C4 | H24 | 60.4° | 64.9° |
H23 | C3 | C4 | H24 | 178.7° | 175.0° |
H24 | C4 | C5 | H25 | 61.9° | 180.0° |
H24 | C4 | C5 | H26 | 178.1° | 60.0° |
H24 | C4 | C5 | H27 | 58.1° | 60.1° |
H24 | C4 | C6 | H28 | 61.6° | 180.0° |
H24 | C4 | C6 | H29 | 178.4° | 60.1° |
H24 | C4 | C6 | H30 | 58.4° | 59.9° |
H25 | C5 | H26 | H27 | 120.0° | 119.9° |
H28 | C6 | H29 | H30 | 120.0° | 119.9° |
H31 | C8 | C9 | H32 | 67.4° | 65.2° |
H31 | C8 | C9 | H33 | 173.7° | 174.8° |
H31 | C8 | N2 | H35 | 176.6° | 146.4° |
O8 | S1 | O6 | O7 | 90.0° | 116.8° |
O6 | S1 | O8 | H7 | 90.0° | 63.9° |
O7 | S1 | O8 | H7 | 90.0° | 63.9° |