YMJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C11 | doub | 1.21Å | 1.24Å | |
C11 | N3 | sing | 1.35Å | 1.33Å | |
C11 | C10 | sing | 1.51Å | 1.52Å | |
N3 | C12 | sing | 1.47Å | 1.46Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C9 | C8 | sing | 1.53Å | 1.53Å | |
C10 | C13 | sing | 1.55Å | 1.52Å | |
C14 | C8 | sing | 1.53Å | 1.52Å | |
C14 | O3 | sing | 1.43Å | 1.41Å | |
C12 | C13 | sing | 1.54Å | 1.52Å | |
C8 | N2 | sing | 1.47Å | 1.46Å | |
N2 | C7 | sing | 1.35Å | 1.34Å | |
O1 | C1 | doub | 1.22Å | 1.22Å | |
C7 | C2 | sing | 1.51Å | 1.52Å | |
C7 | O4 | doub | 1.21Å | 1.23Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C2 | N1 | sing | 1.46Å | 1.45Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C1 | N1 | sing | 1.35Å | 1.33Å | |
C1 | O5 | sing | 1.35Å | 1.35Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C22 | C18 | sing | 1.53Å | 1.52Å | |
C15 | C23 | sing | 1.53Å | 1.51Å | |
C15 | O5 | sing | 1.45Å | 1.46Å | |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C19 | C18 | sing | 1.53Å | 1.53Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C17 | C18 | sing | 1.53Å | 1.52Å | |
C17 | C16 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | C6 | sing | 1.53Å | 1.52Å | |
C21 | C20 | sing | 1.53Å | 1.51Å | |
C21 | H1 | sing | 1.09Å | 1.10Å | |
C21 | H2 | sing | 1.09Å | 1.10Å | |
C21 | H3 | sing | 1.09Å | 1.10Å | |
C14 | S1 | sing | 1.81Å | 1.07Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C19 | H14 | sing | 1.09Å | 1.10Å | |
C19 | H15 | sing | 1.09Å | 1.10Å | |
C10 | H16 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H18 | sing | 1.09Å | 1.10Å | |
C2 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H24 | sing | 1.09Å | 1.10Å | |
C23 | H25 | sing | 1.09Å | 1.10Å | |
C3 | H26 | sing | 1.09Å | 1.10Å | |
C3 | H27 | sing | 1.09Å | 1.10Å | |
C4 | H28 | sing | 1.09Å | 1.10Å | |
C5 | H29 | sing | 1.09Å | 1.10Å | |
C5 | H30 | sing | 1.09Å | 1.10Å | |
C5 | H31 | sing | 1.09Å | 1.10Å | |
C6 | H32 | sing | 1.09Å | 1.10Å | |
C6 | H33 | sing | 1.09Å | 1.10Å | |
C6 | H34 | sing | 1.09Å | 1.10Å | |
C8 | H35 | sing | 1.09Å | 1.10Å | |
C9 | H36 | sing | 1.09Å | 1.10Å | |
C9 | H37 | sing | 1.09Å | 1.10Å | |
N1 | H38 | sing | 0.97Å | 1.00Å | |
N2 | H39 | sing | 0.97Å | 1.00Å | |
N3 | H40 | sing | 0.97Å | 1.00Å | |
O3 | H41 | sing | 0.97Å | 0.95Å | |
S1 | O7 | doub | 1.42Å | 20.76Å | |
S1 | O6 | doub | 1.42Å | 20.76Å | |
S1 | O8 | sing | 1.52Å | 20.76Å | |
O8 | H4 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C11 | N3 | 125.8° | 124.9° |
O2 | C11 | C10 | 125.5° | 125.0° |
N3 | C11 | C10 | 108.7° | 110.1° |
C11 | N3 | C12 | 113.1° | 111.3° |
C11 | N3 | H40 | 123.4° | 124.4° |
C11 | C10 | C9 | 113.7° | 110.5° |
C11 | C10 | C13 | 103.4° | 104.2° |
C11 | C10 | H16 | 108.0° | 110.4° |
N3 | C12 | C13 | 102.2° | 105.5° |
N3 | C12 | H8 | 111.2° | 110.2° |
N3 | C12 | H9 | 111.2° | 110.4° |
C12 | N3 | H40 | 123.5° | 124.3° |
C10 | C9 | C8 | 112.7° | 109.5° |
C9 | C10 | C13 | 115.6° | 110.5° |
C9 | C10 | H16 | 107.8° | 110.5° |
C10 | C9 | H36 | 108.7° | 109.5° |
C10 | C9 | H37 | 108.7° | 109.5° |
C9 | C8 | C14 | 112.5° | 109.5° |
C9 | C8 | N2 | 109.9° | 109.5° |
C9 | C8 | H35 | 107.9° | 109.5° |
C8 | C9 | H36 | 108.7° | 109.5° |
C8 | C9 | H37 | 108.6° | 109.5° |
C10 | C13 | C12 | 104.4° | 101.8° |
C10 | C13 | H6 | 110.7° | 111.0° |
C10 | C13 | H7 | 110.7° | 110.9° |
C13 | C10 | H16 | 107.9° | 110.5° |
C8 | C14 | O3 | 111.6° | 109.4° |
C14 | C8 | N2 | 110.0° | 109.4° |
C8 | C14 | S1 | 109.9° | 109.5° |
C8 | C14 | H5 | 105.8° | 109.4° |
C14 | C8 | H35 | 107.9° | 109.4° |
O3 | C14 | S1 | 109.9° | 109.5° |
O3 | C14 | H5 | 107.0° | 109.5° |
C14 | O3 | H41 | 109.5° | 114.0° |
C12 | C13 | H6 | 110.7° | 111.0° |
C12 | C13 | H7 | 110.7° | 111.0° |
C13 | C12 | H8 | 111.3° | 110.2° |
C13 | C12 | H9 | 111.3° | 110.3° |
C8 | N2 | C7 | 123.2° | 120.0° |
N2 | C8 | H35 | 108.7° | 109.5° |
C8 | N2 | H39 | 118.4° | 120.0° |
N2 | C7 | C2 | 116.5° | 120.0° |
N2 | C7 | O4 | 123.1° | 120.0° |
C7 | N2 | H39 | 118.4° | 120.0° |
O1 | C1 | N1 | 126.5° | 120.0° |
O1 | C1 | O5 | 125.3° | 120.0° |
C2 | C7 | O4 | 120.4° | 120.0° |
C7 | C2 | N1 | 111.8° | 109.5° |
C7 | C2 | C3 | 111.6° | 109.5° |
C7 | C2 | H19 | 107.8° | 109.5° |
C5 | C4 | C3 | 110.7° | 109.5° |
C5 | C4 | C6 | 110.4° | 109.5° |
C5 | C4 | H28 | 108.2° | 109.5° |
C4 | C5 | H29 | 109.5° | 109.4° |
C4 | C5 | H30 | 109.5° | 109.5° |
C4 | C5 | H31 | 109.5° | 109.4° |
N1 | C2 | C3 | 109.2° | 109.5° |
C2 | N1 | C1 | 122.2° | 120.0° |
N1 | C2 | H19 | 108.7° | 109.4° |
C2 | N1 | H38 | 118.9° | 120.0° |
C2 | C3 | C4 | 114.2° | 109.5° |
C3 | C2 | H19 | 107.8° | 109.5° |
C2 | C3 | H26 | 108.3° | 109.4° |
C2 | C3 | H27 | 108.3° | 109.5° |
N1 | C1 | O5 | 108.2° | 120.0° |
C1 | N1 | H38 | 118.9° | 120.0° |
C1 | O5 | C15 | 116.9° | 117.0° |
C23 | C22 | C18 | 112.1° | 109.5° |
C22 | C23 | C15 | 111.0° | 109.5° |
C23 | C22 | H22 | 108.8° | 109.5° |
C23 | C22 | H23 | 108.8° | 109.5° |
C22 | C23 | H24 | 109.1° | 109.4° |
C22 | C23 | H25 | 109.1° | 109.5° |
C22 | C18 | C19 | 112.0° | 109.5° |
C22 | C18 | C17 | 109.9° | 109.5° |
C22 | C18 | H13 | 107.6° | 109.5° |
C18 | C22 | H22 | 108.8° | 109.5° |
C18 | C22 | H23 | 108.8° | 109.5° |
C23 | C15 | O5 | 107.8° | 109.5° |
C23 | C15 | C16 | 111.1° | 109.5° |
C23 | C15 | H12 | 109.4° | 109.5° |
C15 | C23 | H24 | 109.1° | 109.5° |
C15 | C23 | H25 | 109.1° | 109.5° |
O5 | C15 | C16 | 108.9° | 109.5° |
O5 | C15 | H12 | 110.2° | 109.5° |
C15 | C16 | C17 | 110.9° | 109.5° |
C15 | C16 | H10 | 109.1° | 109.5° |
C15 | C16 | H11 | 109.1° | 109.5° |
C16 | C15 | H12 | 109.5° | 109.4° |
C18 | C19 | C20 | 115.5° | 109.5° |
C19 | C18 | C17 | 112.0° | 109.5° |
C19 | C18 | H13 | 107.6° | 109.5° |
C18 | C19 | H14 | 107.9° | 109.5° |
C18 | C19 | H15 | 107.9° | 109.5° |
C19 | C20 | C21 | 112.3° | 109.5° |
C20 | C19 | H14 | 108.0° | 109.5° |
C20 | C19 | H15 | 108.0° | 109.5° |
C19 | C20 | H20 | 108.8° | 109.5° |
C19 | C20 | H21 | 108.8° | 109.5° |
C18 | C17 | C16 | 111.7° | 109.5° |
C17 | C18 | H13 | 107.6° | 109.5° |
C18 | C17 | H17 | 108.9° | 109.5° |
C18 | C17 | H18 | 109.0° | 109.4° |
C17 | C16 | H10 | 109.1° | 109.4° |
C17 | C16 | H11 | 109.1° | 109.5° |
C16 | C17 | H17 | 108.9° | 109.5° |
C16 | C17 | H18 | 108.9° | 109.4° |
C3 | C4 | C6 | 111.1° | 109.5° |
C4 | C3 | H26 | 108.3° | 109.5° |
C4 | C3 | H27 | 108.3° | 109.5° |
C3 | C4 | H28 | 108.1° | 109.5° |
C6 | C4 | H28 | 108.2° | 109.5° |
C4 | C6 | H32 | 109.5° | 109.5° |
C4 | C6 | H33 | 109.5° | 109.5° |
C4 | C6 | H34 | 109.5° | 109.5° |
C20 | C21 | H1 | 109.5° | 109.5° |
C20 | C21 | H2 | 109.5° | 109.5° |
C20 | C21 | H3 | 109.5° | 109.5° |
C21 | C20 | H20 | 108.8° | 109.5° |
C21 | C20 | H21 | 108.8° | 109.5° |
H1 | C21 | H2 | 109.4° | 109.5° |
H1 | C21 | H3 | 109.5° | 109.5° |
H2 | C21 | H3 | 109.5° | 109.4° |
S1 | C14 | H5 | 112.6° | 109.5° |
C14 | S1 | O7 | 116.1° | 110.5° |
C14 | S1 | O6 | 116.1° | 110.5° |
C14 | S1 | O8 | 116.1° | 104.4° |
H6 | C13 | H7 | 109.5° | 110.9° |
H8 | C12 | H9 | 109.5° | 110.2° |
H10 | C16 | H11 | 109.5° | 109.5° |
H14 | C19 | H15 | 109.5° | 109.4° |
H17 | C17 | H18 | 109.4° | 109.5° |
H20 | C20 | H21 | 109.5° | 109.4° |
H22 | C22 | H23 | 109.4° | 109.5° |
H24 | C23 | H25 | 109.4° | 109.5° |
H26 | C3 | H27 | 109.4° | 109.5° |
H29 | C5 | H30 | 109.5° | 109.5° |
H29 | C5 | H31 | 109.5° | 109.5° |
H30 | C5 | H31 | 109.4° | 109.5° |
H32 | C6 | H33 | 109.5° | 109.5° |
H32 | C6 | H34 | 109.4° | 109.5° |
H33 | C6 | H34 | 109.5° | 109.5° |
H36 | C9 | H37 | 109.5° | 109.5° |
O7 | S1 | O6 | NaN° | 121.1° |
O7 | S1 | O8 | NaN° | 104.3° |
O6 | S1 | O8 | NaN° | 104.3° |
S1 | O8 | H4 | 90.0° | 113.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C11 | N3 | C10 | 178.5° | 179.9° |
O2 | C11 | N3 | C12 | 168.1° | 179.6° |
O2 | C11 | C10 | C9 | 46.8° | 45.0° |
O2 | C11 | C10 | C13 | 173.0° | 163.8° |
O2 | C11 | C10 | H16 | 72.8° | 77.6° |
O2 | C11 | N3 | H40 | 11.9° | 0.4° |
C11 | N3 | C12 | H40 | 180.0° | 179.9° |
N3 | C11 | C10 | C9 | 134.6° | 134.9° |
N3 | C11 | C10 | C13 | 8.5° | 16.2° |
C11 | N3 | C12 | C13 | 24.7° | 17.0° |
C11 | N3 | C12 | H8 | 94.1° | 136.0° |
C11 | N3 | C12 | H9 | 143.6° | 102.0° |
N3 | C11 | C10 | H16 | 105.7° | 102.5° |
C10 | C11 | N3 | C12 | 10.4° | 0.5° |
C11 | C10 | C9 | C13 | 119.5° | 114.8° |
C11 | C10 | C9 | H16 | 119.7° | 122.6° |
C11 | C10 | C9 | C8 | 177.9° | 175.0° |
C11 | C10 | C13 | H16 | 114.3° | 118.6° |
C11 | C10 | C13 | C12 | 22.7° | 24.8° |
C11 | C10 | C13 | H6 | 96.5° | 142.9° |
C11 | C10 | C13 | H7 | 141.9° | 93.4° |
C11 | C10 | C9 | H36 | 57.4° | 65.0° |
C11 | C10 | C9 | H37 | 61.6° | 55.0° |
C10 | C11 | N3 | H40 | 169.6° | 179.6° |
N3 | C12 | C13 | C10 | 28.0° | 25.4° |
N3 | C12 | C13 | H8 | 118.8° | 119.0° |
N3 | C12 | C13 | H9 | 118.8° | 119.1° |
N3 | C12 | C13 | H6 | 91.2° | 143.5° |
N3 | C12 | C13 | H7 | 147.2° | 92.7° |
N3 | C12 | H8 | H9 | 123.3° | 122.0° |
C10 | C9 | C8 | H36 | 120.5° | 120.0° |
C10 | C9 | C8 | H37 | 120.5° | 120.0° |
C9 | C10 | C13 | H16 | 120.8° | 122.7° |
C10 | C9 | C8 | C14 | 170.2° | 177.7° |
C9 | C10 | C13 | C12 | 147.7° | 143.5° |
C10 | C9 | C8 | N2 | 67.0° | 62.3° |
C9 | C10 | C13 | H6 | 28.5° | 98.4° |
C9 | C10 | C13 | H7 | 93.2° | 25.3° |
C10 | C9 | C8 | H35 | 51.3° | 57.7° |
C10 | C9 | H36 | H37 | 118.6° | 120.0° |
C8 | C9 | C10 | C13 | 58.4° | 70.2° |
C9 | C8 | C14 | N2 | 122.8° | 120.0° |
C9 | C8 | C14 | H35 | 118.9° | 120.0° |
C9 | C8 | C14 | O3 | 178.7° | 63.0° |
C9 | C8 | N2 | H35 | 117.8° | 120.1° |
C9 | C8 | N2 | C7 | 112.2° | 55.8° |
C9 | C8 | C14 | S1 | 56.5° | 177.0° |
C9 | C8 | C14 | H5 | 65.3° | 57.0° |
C8 | C9 | C10 | H16 | 62.4° | 52.4° |
C8 | C9 | H36 | H37 | 118.5° | 120.0° |
C9 | C8 | N2 | H39 | 67.8° | 124.2° |
C10 | C13 | C12 | H6 | 119.2° | 118.1° |
C10 | C13 | C12 | H7 | 119.2° | 118.1° |
C10 | C13 | H6 | H7 | 122.4° | 123.7° |
C10 | C13 | C12 | H8 | 90.8° | 144.4° |
C10 | C13 | C12 | H9 | 146.8° | 93.7° |
C13 | C10 | C9 | H36 | 62.1° | 49.8° |
C13 | C10 | C9 | H37 | 178.9° | 169.8° |
C8 | C14 | O3 | S1 | 122.2° | 120.0° |
C8 | C14 | O3 | H5 | 115.3° | 120.0° |
C14 | C8 | N2 | H35 | 117.9° | 119.9° |
C14 | C8 | N2 | C7 | 123.5° | 64.2° |
C8 | C14 | S1 | H5 | 117.7° | 120.0° |
C14 | C8 | C9 | H36 | 49.6° | 57.7° |
C14 | C8 | C9 | H37 | 69.4° | 62.3° |
C14 | C8 | N2 | H39 | 56.5° | 115.8° |
C8 | C14 | O3 | H41 | 180.0° | 60.0° |
C8 | C14 | S1 | O7 | 101.6° | 49.5° |
C8 | C14 | S1 | O6 | 101.6° | 173.8° |
C8 | C14 | S1 | O8 | 101.6° | 62.2° |
O3 | C14 | C8 | N2 | 55.9° | 177.0° |
O3 | C14 | S1 | H5 | 119.2° | 120.1° |
O3 | C14 | C8 | H35 | 62.5° | 57.0° |
O3 | C14 | S1 | O7 | 135.2° | 70.5° |
O3 | C14 | S1 | O6 | 135.2° | 66.3° |
O3 | C14 | S1 | O8 | 135.2° | 177.9° |
C12 | C13 | H6 | H7 | 122.4° | 123.8° |
C13 | C12 | H8 | H9 | 123.4° | 121.9° |
C12 | C13 | C10 | H16 | 91.6° | 93.9° |
C13 | C12 | N3 | H40 | 155.3° | 163.0° |
C8 | N2 | C7 | H39 | 180.0° | 180.0° |
C8 | N2 | C7 | C2 | 178.2° | 174.9° |
C8 | N2 | C7 | O4 | 0.6° | 5.1° |
N2 | C8 | C14 | S1 | 66.2° | 57.0° |
N2 | C8 | C14 | H5 | 171.9° | 63.0° |
N2 | C8 | C9 | H36 | 172.5° | 177.7° |
N2 | C8 | C9 | H37 | 53.5° | 57.6° |
N2 | C7 | C2 | O4 | 178.9° | 180.0° |
N2 | C7 | C2 | N1 | 137.6° | 180.0° |
N2 | C7 | C2 | C3 | 99.8° | 60.0° |
N2 | C7 | C2 | H19 | 18.3° | 60.0° |
C7 | N2 | C8 | H35 | 5.6° | 175.8° |
O1 | C1 | N1 | C2 | 4.7° | 0.0° |
O1 | C1 | N1 | O5 | 178.8° | 180.0° |
O1 | C1 | O5 | C15 | 5.0° | 0.0° |
O1 | C1 | N1 | H38 | 175.3° | 180.0° |
C7 | C2 | N1 | C3 | 123.9° | 120.0° |
C7 | C2 | N1 | H19 | 118.8° | 120.0° |
C7 | C2 | C3 | H19 | 118.1° | 120.0° |
C7 | C2 | N1 | C1 | 67.4° | 155.0° |
C7 | C2 | C3 | C4 | 166.3° | 175.0° |
C7 | C2 | C3 | H26 | 73.0° | 64.9° |
C7 | C2 | C3 | H27 | 45.6° | 55.0° |
C7 | C2 | N1 | H38 | 112.6° | 25.0° |
C2 | C7 | N2 | H39 | 1.8° | 5.0° |
O4 | C7 | C2 | N1 | 41.2° | 0.0° |
O4 | C7 | C2 | C3 | 81.3° | 120.0° |
O4 | C7 | C2 | H19 | 160.6° | 120.0° |
O4 | C7 | N2 | H39 | 179.3° | 174.9° |
C5 | C4 | C3 | C2 | 73.7° | 175.0° |
C5 | C4 | C3 | C6 | 123.0° | 120.0° |
C5 | C4 | C3 | H28 | 118.4° | 120.0° |
C5 | C4 | C6 | H28 | 118.2° | 120.0° |
C5 | C4 | C3 | H26 | 165.6° | 55.0° |
C5 | C4 | C3 | H27 | 47.0° | 65.0° |
C4 | C5 | H29 | H30 | 120.0° | 120.0° |
C4 | C5 | H29 | H31 | 120.0° | 120.0° |
C4 | C5 | H30 | H31 | 120.0° | 120.0° |
C5 | C4 | C6 | H32 | 180.0° | 180.0° |
C5 | C4 | C6 | H33 | 60.0° | 60.0° |
C5 | C4 | C6 | H34 | 60.0° | 60.0° |
N1 | C2 | C3 | H19 | 117.9° | 120.0° |
C2 | N1 | C1 | H38 | 180.0° | 180.0° |
C2 | N1 | C1 | O5 | 176.6° | 180.0° |
N1 | C2 | C3 | C4 | 69.6° | 65.0° |
N1 | C2 | C3 | H26 | 51.0° | 55.1° |
N1 | C2 | C3 | H27 | 169.6° | 175.0° |
C3 | C2 | N1 | C1 | 168.7° | 85.0° |
C2 | C3 | C4 | H26 | 120.7° | 120.0° |
C2 | C3 | C4 | H27 | 120.7° | 120.0° |
C2 | C3 | C4 | C6 | 163.2° | 65.0° |
C2 | C3 | H26 | H27 | 117.9° | 119.9° |
C2 | C3 | C4 | H28 | 44.6° | 55.0° |
C3 | C2 | N1 | H38 | 11.3° | 95.0° |
N1 | C1 | O5 | C15 | 173.8° | 180.0° |
C1 | N1 | C2 | H19 | 51.4° | 35.0° |
C1 | O5 | C15 | C23 | 99.0° | 150.0° |
C1 | O5 | C15 | C16 | 140.4° | 90.0° |
C1 | O5 | C15 | H12 | 20.3° | 30.0° |
O5 | C1 | N1 | H38 | 3.4° | 0.0° |
C23 | C22 | C18 | H22 | 120.4° | 120.0° |
C23 | C22 | C18 | H23 | 120.4° | 120.0° |
C22 | C23 | C15 | H24 | 120.3° | 120.0° |
C22 | C23 | C15 | H25 | 120.2° | 120.0° |
C22 | C23 | C15 | O5 | 175.1° | 180.0° |
C22 | C23 | C15 | C16 | 55.8° | 60.0° |
C23 | C22 | C18 | C19 | 179.8° | 180.0° |
C23 | C22 | C18 | C17 | 54.7° | 60.0° |
C22 | C23 | C15 | H12 | 65.1° | 59.9° |
C23 | C22 | C18 | H13 | 62.2° | 60.0° |
C23 | C22 | H22 | H23 | 118.8° | 120.0° |
C22 | C23 | H24 | H25 | 119.3° | 120.0° |
C18 | C22 | C23 | C15 | 55.5° | 60.0° |
C22 | C18 | C19 | C17 | 123.9° | 120.0° |
C22 | C18 | C19 | H13 | 118.0° | 120.0° |
C22 | C18 | C19 | C20 | 169.6° | 65.0° |
C22 | C18 | C17 | H13 | 116.9° | 120.0° |
C22 | C18 | C17 | C16 | 55.2° | 60.0° |
C22 | C18 | C19 | H14 | 69.5° | 175.0° |
C22 | C18 | C19 | H15 | 48.7° | 55.0° |
C22 | C18 | C17 | H17 | 65.1° | 180.0° |
C22 | C18 | C17 | H18 | 175.6° | 60.0° |
C18 | C22 | H22 | H23 | 118.8° | 120.0° |
C18 | C22 | C23 | H24 | 64.8° | 180.0° |
C18 | C22 | C23 | H25 | 175.7° | 60.0° |
C23 | C15 | O5 | C16 | 120.6° | 120.0° |
C23 | C15 | O5 | H12 | 119.3° | 120.0° |
C23 | C15 | C16 | H12 | 120.9° | 120.0° |
C23 | C15 | C16 | C17 | 56.5° | 60.0° |
C23 | C15 | C16 | H10 | 63.7° | 60.0° |
C23 | C15 | C16 | H11 | 176.7° | 180.0° |
C15 | C23 | C22 | H22 | 64.9° | 180.0° |
C15 | C23 | C22 | H23 | 175.9° | 60.0° |
C15 | C23 | H24 | H25 | 119.3° | 120.0° |
O5 | C15 | C16 | H12 | 120.5° | 120.0° |
O5 | C15 | C16 | C17 | 175.1° | 180.0° |
O5 | C15 | C16 | H10 | 54.9° | 60.0° |
O5 | C15 | C16 | H11 | 64.7° | 60.0° |
O5 | C15 | C23 | H24 | 54.8° | 60.0° |
O5 | C15 | C23 | H25 | 64.7° | 60.0° |
C15 | C16 | C17 | C18 | 56.7° | 60.0° |
C15 | C16 | C17 | H10 | 120.2° | 120.0° |
C15 | C16 | C17 | H11 | 120.2° | 120.0° |
C15 | C16 | H10 | H11 | 119.4° | 120.0° |
C15 | C16 | C17 | H17 | 63.6° | 180.0° |
C15 | C16 | C17 | H18 | 177.1° | 60.0° |
C16 | C15 | C23 | H24 | 64.4° | 180.0° |
C16 | C15 | C23 | H25 | 176.1° | 60.0° |
C18 | C19 | C20 | H14 | 120.9° | 120.1° |
C18 | C19 | C20 | H15 | 120.9° | 120.0° |
C19 | C18 | C17 | H13 | 118.0° | 120.0° |
C19 | C18 | C17 | C16 | 179.6° | 180.0° |
C18 | C19 | C20 | C21 | 165.1° | 180.0° |
C18 | C19 | H14 | H15 | 117.2° | 120.0° |
C19 | C18 | C17 | H17 | 60.0° | 59.9° |
C19 | C18 | C17 | H18 | 59.3° | 60.1° |
C18 | C19 | C20 | H20 | 44.7° | 60.0° |
C18 | C19 | C20 | H21 | 74.5° | 59.9° |
C19 | C18 | C22 | H22 | 59.4° | 60.0° |
C19 | C18 | C22 | H23 | 59.8° | 60.0° |
C20 | C19 | C18 | C17 | 66.5° | 175.0° |
C19 | C20 | C21 | H20 | 120.4° | 120.0° |
C19 | C20 | C21 | H21 | 120.4° | 120.0° |
C19 | C20 | C21 | H1 | 180.0° | 60.0° |
C19 | C20 | C21 | H2 | 60.0° | 60.0° |
C19 | C20 | C21 | H3 | 60.0° | 180.0° |
C20 | C19 | C18 | H13 | 51.6° | 55.0° |
C20 | C19 | H14 | H15 | 117.3° | 120.0° |
C19 | C20 | H20 | H21 | 118.7° | 120.0° |
C18 | C17 | C16 | H17 | 120.3° | 120.1° |
C18 | C17 | C16 | H18 | 120.4° | 119.9° |
C18 | C17 | C16 | H10 | 63.5° | 60.0° |
C18 | C17 | C16 | H11 | 176.9° | 180.0° |
C17 | C18 | C19 | H14 | 54.4° | 54.9° |
C17 | C18 | C19 | H15 | 172.7° | 65.0° |
C18 | C17 | H17 | H18 | 119.0° | 120.0° |
C17 | C18 | C22 | H22 | 65.7° | 180.0° |
C17 | C18 | C22 | H23 | 175.1° | 60.0° |
C17 | C16 | H10 | H11 | 119.3° | 120.0° |
C17 | C16 | C15 | H12 | 64.4° | 60.0° |
C16 | C17 | C18 | H13 | 61.6° | 60.0° |
C16 | C17 | H17 | H18 | 119.0° | 120.0° |
C3 | C4 | C6 | H28 | 118.5° | 120.0° |
C4 | C3 | C2 | H19 | 48.2° | 55.0° |
C4 | C3 | H26 | H27 | 117.8° | 120.0° |
C3 | C4 | C5 | H29 | 180.0° | 60.0° |
C3 | C4 | C5 | H30 | 60.0° | 180.0° |
C3 | C4 | C5 | H31 | 60.0° | 60.0° |
C3 | C4 | C6 | H32 | 56.8° | 60.0° |
C3 | C4 | C6 | H33 | 63.2° | 180.0° |
C3 | C4 | C6 | H34 | 176.8° | 60.0° |
C6 | C4 | C3 | H26 | 42.5° | 175.0° |
C6 | C4 | C3 | H27 | 76.0° | 55.0° |
C6 | C4 | C5 | H29 | 56.5° | 60.0° |
C6 | C4 | C5 | H30 | 63.5° | 60.0° |
C6 | C4 | C5 | H31 | 176.6° | 180.0° |
C4 | C6 | H32 | H33 | 120.0° | 120.0° |
C4 | C6 | H32 | H34 | 120.0° | 120.0° |
C4 | C6 | H33 | H34 | 120.0° | 120.0° |
C20 | C21 | H1 | H2 | 120.0° | 120.0° |
C20 | C21 | H1 | H3 | 120.0° | 120.0° |
C20 | C21 | H2 | H3 | 120.0° | 120.0° |
C21 | C20 | C19 | H14 | 74.0° | 59.9° |
C21 | C20 | C19 | H15 | 44.2° | 60.0° |
C21 | C20 | H20 | H21 | 118.7° | 120.0° |
H1 | C21 | H2 | H3 | 120.0° | 120.0° |
H1 | C21 | C20 | H20 | 59.6° | 60.0° |
H1 | C21 | C20 | H21 | 59.5° | 180.0° |
H2 | C21 | C20 | H20 | 179.6° | 180.0° |
H2 | C21 | C20 | H21 | 60.4° | 60.0° |
H3 | C21 | C20 | H20 | 60.4° | 60.0° |
H3 | C21 | C20 | H21 | 179.6° | 59.9° |
S1 | C14 | C8 | H35 | 175.4° | 63.0° |
S1 | C14 | O3 | H41 | 57.8° | 180.0° |
C14 | S1 | O7 | O6 | 90.0° | 131.5° |
C14 | S1 | O7 | O8 | 90.0° | 111.7° |
C14 | S1 | O6 | O8 | 90.0° | 111.7° |
C14 | S1 | O8 | H4 | 90.0° | 180.0° |
H5 | C14 | C8 | H35 | 53.5° | 177.1° |
H5 | C14 | O3 | H41 | 64.8° | 60.0° |
H5 | C14 | S1 | O7 | 16.0° | 169.4° |
H5 | C14 | S1 | O6 | 16.0° | 53.8° |
H5 | C14 | S1 | O8 | 16.0° | 57.8° |
H6 | C13 | C12 | H8 | 150.0° | 97.5° |
H6 | C13 | C12 | H9 | 27.6° | 24.4° |
H6 | C13 | C10 | H16 | 149.2° | 24.3° |
H7 | C13 | C12 | H8 | 28.4° | 26.3° |
H7 | C13 | C12 | H9 | 94.0° | 148.2° |
H7 | C13 | C10 | H16 | 27.6° | 148.0° |
H8 | C12 | N3 | H40 | 85.9° | 44.0° |
H9 | C12 | N3 | H40 | 36.5° | 77.9° |
H10 | C16 | C15 | H12 | 175.4° | 179.9° |
H10 | C16 | C17 | H17 | 176.2° | 60.0° |
H10 | C16 | C17 | H18 | 56.9° | 180.0° |
H11 | C16 | C15 | H12 | 55.8° | 60.0° |
H11 | C16 | C17 | H17 | 56.6° | 60.0° |
H11 | C16 | C17 | H18 | 62.7° | 60.1° |
H12 | C15 | C23 | H24 | 174.6° | 60.0° |
H12 | C15 | C23 | H25 | 55.1° | 180.0° |
H13 | C18 | C19 | H14 | 172.5° | 65.0° |
H13 | C18 | C19 | H15 | 69.3° | 175.0° |
H13 | C18 | C17 | H17 | 178.0° | 60.0° |
H13 | C18 | C17 | H18 | 58.7° | 180.0° |
H13 | C18 | C22 | H22 | 177.4° | 60.0° |
H13 | C18 | C22 | H23 | 58.2° | NaN° |
H14 | C19 | C20 | H20 | 165.6° | 60.1° |
H14 | C19 | C20 | H21 | 46.4° | 180.0° |
H15 | C19 | C20 | H20 | 76.2° | 180.0° |
H15 | C19 | C20 | H21 | 164.7° | 60.1° |
H16 | C10 | C9 | H36 | 177.1° | 172.4° |
H16 | C10 | C9 | H37 | 58.1° | 67.6° |
H19 | C2 | C3 | H26 | 168.9° | 175.0° |
H19 | C2 | C3 | H27 | 72.5° | 65.0° |
H19 | C2 | N1 | H38 | 128.6° | 145.0° |
H22 | C22 | C23 | H24 | 174.8° | 60.0° |
H22 | C22 | C23 | H25 | 55.3° | 60.0° |
H23 | C22 | C23 | H24 | 55.6° | 60.0° |
H23 | C22 | C23 | H25 | 63.9° | NaN° |
H26 | C3 | C4 | H28 | 76.1° | 65.0° |
H27 | C3 | C4 | H28 | 165.3° | 175.0° |
H28 | C4 | C5 | H29 | 61.7° | 180.0° |
H28 | C4 | C5 | H30 | 178.3° | 60.0° |
H28 | C4 | C5 | H31 | 58.3° | 60.0° |
H28 | C4 | C6 | H32 | 61.8° | 60.0° |
H28 | C4 | C6 | H33 | 178.2° | 60.0° |
H28 | C4 | C6 | H34 | 58.2° | 180.0° |
H29 | C5 | H30 | H31 | 120.0° | 120.1° |
H32 | C6 | H33 | H34 | 120.0° | 120.0° |
H35 | C8 | C9 | H36 | 69.2° | 62.3° |
H35 | C8 | C9 | H37 | 171.7° | 177.7° |
H35 | C8 | N2 | H39 | 174.4° | 4.1° |
O7 | S1 | O6 | O8 | 90.0° | 116.8° |
O7 | S1 | O8 | H4 | 90.0° | 64.0° |
O6 | S1 | O8 | H4 | 90.0° | 63.9° |