YKA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C18 | N17 | doub | 1.29Å | 1.46Å | |
C18 | C19 | sing | 1.51Å | 1.56Å | |
N17 | C16 | sing | 1.34Å | 1.40Å | |
C16 | O20 | doub | 1.21Å | 1.22Å | |
C16 | C15 | sing | 1.52Å | 1.52Å | |
C19 | C15 | sing | 1.54Å | 1.53Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C14 | C13 | sing | 1.53Å | 1.56Å | |
C13 | C21 | sing | 1.53Å | 1.57Å | |
C13 | N12 | sing | 1.46Å | 1.48Å | |
C21 | O22 | sing | 1.43Å | 1.39Å | |
C01 | C02 | sing | 1.53Å | 1.52Å | |
O23 | C11 | doub | 1.21Å | 1.22Å | |
N12 | C11 | sing | 1.35Å | 1.38Å | |
C25 | C02 | sing | 1.53Å | 1.56Å | |
C11 | C06 | sing | 1.51Å | 1.52Å | |
C02 | O03 | sing | 1.45Å | 1.42Å | |
C02 | C26 | sing | 1.53Å | 1.55Å | |
O24 | C04 | doub | 1.22Å | 1.25Å | |
O03 | C04 | sing | 1.35Å | 1.37Å | |
C27 | C26 | sing | 1.53Å | 1.55Å | |
C27 | C28 | sing | 1.53Å | 1.51Å | |
C04 | N05 | sing | 1.35Å | 1.39Å | |
C26 | C33 | sing | 1.53Å | 1.53Å | |
C06 | N05 | sing | 1.47Å | 1.44Å | |
C06 | C07 | sing | 1.53Å | 1.55Å | |
C28 | C29 | sing | 1.53Å | 1.55Å | |
C07 | C08 | sing | 1.53Å | 1.53Å | |
C33 | C32 | sing | 1.53Å | 1.51Å | |
C29 | C32 | sing | 1.53Å | 1.55Å | |
C29 | F31 | sing | 1.40Å | 1.35Å | |
C29 | F30 | sing | 1.40Å | 1.35Å | |
C08 | C09 | sing | 1.53Å | 1.53Å | |
C08 | C10 | sing | 1.53Å | 1.52Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C09 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
C10 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å | |
C15 | H17 | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H20 | sing | 1.09Å | 1.10Å | |
C21 | S1 | sing | 1.81Å | 1.07Å | |
C21 | H22 | sing | 1.09Å | 1.10Å | |
C25 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H29 | sing | 1.09Å | 1.10Å | |
C28 | H30 | sing | 1.09Å | 1.10Å | |
C32 | H31 | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H34 | sing | 1.09Å | 1.10Å | |
N05 | H35 | sing | 0.97Å | 1.00Å | |
N12 | H36 | sing | 0.97Å | 1.00Å | |
O22 | H37 | sing | 0.97Å | 0.95Å | |
S1 | O3 | sing | 1.52Å | 41.73Å | |
S1 | O1 | doub | 1.42Å | 41.73Å | |
S1 | O2 | doub | 1.42Å | 41.73Å | |
O3 | H21 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N17 | C18 | C19 | 103.1° | 109.9° |
C18 | N17 | C16 | 113.3° | 115.4° |
N17 | C18 | H18 | 128.4° | 125.1° |
C18 | C19 | C15 | 109.8° | 103.2° |
C19 | C18 | H18 | 128.5° | 125.1° |
C18 | C19 | H19 | 109.4° | 110.7° |
C18 | C19 | H20 | 109.4° | 110.7° |
N17 | C16 | O20 | 123.1° | 125.7° |
N17 | C16 | C15 | 111.1° | 108.7° |
O20 | C16 | C15 | 125.8° | 125.7° |
C16 | C15 | C19 | 102.6° | 102.9° |
C16 | C15 | C14 | 114.9° | 110.8° |
C16 | C15 | H17 | 109.1° | 110.7° |
C19 | C15 | C14 | 112.1° | 110.8° |
C19 | C15 | H17 | 109.0° | 110.8° |
C15 | C19 | H19 | 109.4° | 110.6° |
C15 | C19 | H20 | 109.4° | 110.7° |
C15 | C14 | C13 | 113.7° | 109.5° |
C15 | C14 | H15 | 108.4° | 109.5° |
C15 | C14 | H16 | 108.4° | 109.5° |
C14 | C15 | H17 | 108.8° | 110.7° |
C14 | C13 | C21 | 111.9° | 109.5° |
C14 | C13 | N12 | 111.5° | 109.5° |
C14 | C13 | H14 | 108.0° | 109.5° |
C13 | C14 | H15 | 108.4° | 109.5° |
C13 | C14 | H16 | 108.4° | 109.5° |
C21 | C13 | N12 | 108.5° | 109.5° |
C13 | C21 | O22 | 104.7° | 109.5° |
C21 | C13 | H14 | 107.9° | 109.5° |
C13 | C21 | S1 | 111.2° | 109.5° |
C13 | C21 | H22 | 106.4° | 109.5° |
C13 | N12 | C11 | 124.1° | 120.0° |
N12 | C13 | H14 | 108.9° | 109.5° |
C13 | N12 | H36 | 117.9° | 120.0° |
O22 | C21 | S1 | 111.1° | 109.4° |
O22 | C21 | H22 | 108.5° | 109.5° |
C21 | O22 | H37 | 109.5° | 113.9° |
C01 | C02 | C25 | 106.1° | 109.5° |
C01 | C02 | O03 | 110.7° | 109.5° |
C01 | C02 | C26 | 113.7° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
O23 | C11 | N12 | 119.4° | 120.0° |
O23 | C11 | C06 | 117.5° | 120.0° |
N12 | C11 | C06 | 123.1° | 120.0° |
C11 | N12 | H36 | 118.0° | 120.0° |
C25 | C02 | O03 | 105.7° | 109.5° |
C25 | C02 | C26 | 109.1° | 109.4° |
C02 | C25 | H23 | 109.5° | 109.4° |
C02 | C25 | H24 | 109.5° | 109.5° |
C02 | C25 | H25 | 109.5° | 109.4° |
C11 | C06 | N05 | 108.3° | 109.4° |
C11 | C06 | C07 | 109.5° | 109.5° |
C11 | C06 | H4 | 109.4° | 109.5° |
O03 | C02 | C26 | 111.0° | 109.5° |
C02 | O03 | C04 | 124.6° | 117.0° |
C02 | C26 | C27 | 121.1° | 109.4° |
C02 | C26 | C33 | 112.2° | 109.5° |
C02 | C26 | H26 | 106.1° | 109.5° |
O24 | C04 | O03 | 122.4° | 120.0° |
O24 | C04 | N05 | 121.0° | 120.0° |
O03 | C04 | N05 | 116.6° | 120.0° |
C26 | C27 | C28 | 115.2° | 109.5° |
C27 | C26 | C33 | 104.2° | 109.4° |
C27 | C26 | H26 | 106.0° | 109.5° |
C26 | C27 | H27 | 108.0° | 109.4° |
C26 | C27 | H28 | 108.0° | 109.4° |
C27 | C28 | C29 | 111.2° | 109.5° |
C28 | C27 | H27 | 108.0° | 109.5° |
C28 | C27 | H28 | 108.0° | 109.5° |
C27 | C28 | H29 | 109.0° | 109.5° |
C27 | C28 | H30 | 109.0° | 109.4° |
C04 | N05 | C06 | 119.3° | 120.0° |
C04 | N05 | H35 | 120.3° | 120.0° |
C26 | C33 | C32 | 114.1° | 109.5° |
C33 | C26 | H26 | 106.3° | 109.5° |
C26 | C33 | H33 | 108.3° | 109.5° |
C26 | C33 | H34 | 108.3° | 109.4° |
N05 | C06 | C07 | 110.0° | 109.5° |
N05 | C06 | H4 | 110.5° | 109.5° |
C06 | N05 | H35 | 120.3° | 120.0° |
C06 | C07 | C08 | 115.8° | 109.5° |
C07 | C06 | H4 | 109.1° | 109.5° |
C06 | C07 | H5 | 107.9° | 109.5° |
C06 | C07 | H6 | 107.9° | 109.4° |
C28 | C29 | C32 | 110.3° | 109.5° |
C28 | C29 | F31 | 111.5° | 109.5° |
C28 | C29 | F30 | 110.0° | 109.5° |
C29 | C28 | H29 | 109.0° | 109.4° |
C29 | C28 | H30 | 109.0° | 109.5° |
C07 | C08 | C09 | 112.1° | 109.5° |
C07 | C08 | C10 | 112.9° | 109.5° |
C08 | C07 | H5 | 107.9° | 109.5° |
C08 | C07 | H6 | 107.9° | 109.5° |
C07 | C08 | H7 | 106.8° | 109.5° |
C33 | C32 | C29 | 111.6° | 109.4° |
C33 | C32 | H31 | 108.9° | 109.5° |
C33 | C32 | H32 | 108.9° | 109.5° |
C32 | C33 | H33 | 108.3° | 109.5° |
C32 | C33 | H34 | 108.3° | 109.5° |
C32 | C29 | F31 | 109.4° | 109.5° |
C32 | C29 | F30 | 111.7° | 109.5° |
C29 | C32 | H31 | 109.0° | 109.5° |
C29 | C32 | H32 | 109.0° | 109.5° |
F31 | C29 | F30 | 103.8° | 109.4° |
C09 | C08 | C10 | 110.8° | 109.5° |
C09 | C08 | H7 | 106.9° | 109.5° |
C08 | C09 | H8 | 109.5° | 109.5° |
C08 | C09 | H9 | 109.5° | 109.5° |
C08 | C09 | H10 | 109.4° | 109.4° |
C10 | C08 | H7 | 107.0° | 109.5° |
C08 | C10 | H11 | 109.5° | 109.5° |
C08 | C10 | H12 | 109.4° | 109.5° |
C08 | C10 | H13 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.4° |
H5 | C07 | H6 | 109.5° | 109.5° |
H8 | C09 | H9 | 109.5° | 109.5° |
H8 | C09 | H10 | 109.5° | 109.5° |
H9 | C09 | H10 | 109.5° | 109.5° |
H11 | C10 | H12 | 109.5° | 109.5° |
H11 | C10 | H13 | 109.4° | 109.4° |
H12 | C10 | H13 | 109.5° | 109.5° |
H15 | C14 | H16 | 109.4° | 109.5° |
H19 | C19 | H20 | 109.5° | 110.8° |
S1 | C21 | H22 | 114.4° | 109.5° |
C21 | S1 | O3 | 74.3° | 104.4° |
C21 | S1 | O1 | 74.3° | 110.6° |
C21 | S1 | O2 | 74.3° | 110.6° |
H23 | C25 | H24 | 109.4° | 109.5° |
H23 | C25 | H25 | 109.5° | 109.5° |
H24 | C25 | H25 | 109.5° | 109.5° |
H27 | C27 | H28 | 109.5° | 109.5° |
H29 | C28 | H30 | 109.5° | 109.5° |
H31 | C32 | H32 | 109.5° | 109.5° |
H33 | C33 | H34 | 109.4° | 109.5° |
O3 | S1 | O1 | NaN° | 104.2° |
O3 | S1 | O2 | NaN° | 104.3° |
S1 | O3 | H21 | 90.0° | 114.0° |
O1 | S1 | O2 | NaN° | 121.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N17 | C18 | C19 | H18 | 180.0° | 180.0° |
C18 | N17 | C16 | O20 | 179.4° | 179.9° |
C18 | N17 | C16 | C15 | 1.0° | 0.1° |
N17 | C18 | C19 | C15 | 3.3° | 0.1° |
N17 | C18 | C19 | H19 | 116.8° | 118.4° |
N17 | C18 | C19 | H20 | 123.3° | 118.4° |
C19 | C18 | N17 | C16 | 2.6° | 0.0° |
C18 | C19 | C15 | C16 | 2.7° | 0.1° |
C18 | C19 | C15 | H19 | 120.0° | 118.4° |
C18 | C19 | C15 | H20 | 120.0° | 118.5° |
C18 | C19 | C15 | C14 | 121.1° | 118.3° |
C18 | C19 | C15 | H17 | 118.3° | 118.4° |
C18 | C19 | H19 | H20 | 119.8° | 123.2° |
N17 | C16 | O20 | C15 | 178.2° | 180.0° |
N17 | C16 | C15 | C19 | 1.2° | 0.1° |
N17 | C16 | C15 | C14 | 120.7° | 118.3° |
N17 | C16 | C15 | H17 | 116.7° | 118.5° |
C16 | N17 | C18 | H18 | 177.4° | 180.0° |
O20 | C16 | C15 | C19 | 177.2° | 179.9° |
O20 | C16 | C15 | C14 | 60.9° | 61.7° |
O20 | C16 | C15 | H17 | 61.7° | 61.5° |
C16 | C15 | C19 | C14 | 123.8° | 118.4° |
C16 | C15 | C19 | H17 | 115.6° | 118.3° |
C16 | C15 | C14 | H17 | 122.7° | 123.2° |
C16 | C15 | C14 | C13 | 175.9° | 76.2° |
C16 | C15 | C14 | H15 | 63.5° | 43.8° |
C16 | C15 | C14 | H16 | 55.3° | 163.8° |
C16 | C15 | C19 | H19 | 117.3° | 118.5° |
C16 | C15 | C19 | H20 | 122.8° | 118.3° |
C19 | C15 | C14 | H17 | 120.7° | 123.3° |
C19 | C15 | C14 | C13 | 67.5° | 170.3° |
C19 | C15 | C14 | H15 | 53.1° | 69.7° |
C19 | C15 | C14 | H16 | 171.9° | 50.4° |
C15 | C19 | C18 | H18 | 176.7° | 179.9° |
C15 | C19 | H19 | H20 | 119.9° | 123.1° |
C15 | C14 | C13 | H15 | 120.7° | 120.0° |
C15 | C14 | C13 | H16 | 120.6° | 120.0° |
C15 | C14 | C13 | C21 | 171.2° | 172.4° |
C15 | C14 | C13 | N12 | 49.4° | 67.6° |
C15 | C14 | C13 | H14 | 70.2° | 52.4° |
C15 | C14 | H15 | H16 | 118.1° | 120.0° |
C14 | C15 | C19 | H19 | 118.8° | 0.1° |
C14 | C15 | C19 | H20 | 1.1° | 123.3° |
C14 | C13 | C21 | N12 | 123.5° | 120.0° |
C14 | C13 | C21 | H14 | 118.7° | 120.0° |
C14 | C13 | N12 | H14 | 119.1° | 120.0° |
C14 | C13 | C21 | O22 | 173.6° | 55.9° |
C14 | C13 | N12 | C11 | 110.1° | 129.5° |
C13 | C14 | H15 | H16 | 118.1° | 120.0° |
C13 | C14 | C15 | H17 | 53.2° | 47.0° |
C14 | C13 | C21 | S1 | 66.3° | 175.9° |
C14 | C13 | C21 | H22 | 58.9° | 64.1° |
C14 | C13 | N12 | H36 | 69.9° | 50.5° |
C21 | C13 | N12 | H14 | 117.2° | 120.0° |
C13 | C21 | O22 | S1 | 120.1° | 120.0° |
C13 | C21 | O22 | H22 | 113.3° | 120.0° |
C21 | C13 | N12 | C11 | 126.2° | 110.5° |
C21 | C13 | C14 | H15 | 68.2° | 67.6° |
C21 | C13 | C14 | H16 | 50.5° | 52.4° |
C13 | C21 | S1 | H22 | 120.5° | 120.0° |
C21 | C13 | N12 | H36 | 53.8° | 69.5° |
C13 | C21 | O22 | H37 | 180.0° | 60.0° |
C13 | C21 | S1 | O3 | 94.0° | 59.6° |
C13 | C21 | S1 | O1 | 94.0° | 52.0° |
C13 | C21 | S1 | O2 | 94.0° | 171.3° |
N12 | C13 | C21 | O22 | 62.9° | 175.9° |
C13 | N12 | C11 | O23 | 0.2° | 4.5° |
C13 | N12 | C11 | H36 | 180.0° | 180.0° |
C13 | N12 | C11 | C06 | 178.5° | 175.5° |
N12 | C13 | C14 | H15 | 170.1° | 52.4° |
N12 | C13 | C14 | H16 | 71.2° | 172.4° |
N12 | C13 | C21 | S1 | 57.2° | 64.1° |
N12 | C13 | C21 | H22 | 177.7° | 55.9° |
O22 | C21 | C13 | H14 | 54.9° | 64.1° |
O22 | C21 | S1 | H22 | 123.3° | 120.0° |
O22 | C21 | S1 | O3 | 149.9° | 179.6° |
O22 | C21 | S1 | O1 | 149.9° | 68.0° |
O22 | C21 | S1 | O2 | 149.9° | 68.8° |
C01 | C02 | C25 | O03 | 117.6° | 120.1° |
C01 | C02 | C25 | C26 | 122.9° | 120.0° |
C01 | C02 | O03 | C26 | 127.3° | 120.0° |
C01 | C02 | O03 | C04 | 58.4° | 60.0° |
C01 | C02 | C26 | C27 | 77.1° | 60.1° |
C01 | C02 | C26 | C33 | 159.2° | 180.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.1° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | C25 | H23 | 180.0° | 59.9° |
C01 | C02 | C25 | H24 | 60.0° | 180.0° |
C01 | C02 | C25 | H25 | 60.0° | 60.0° |
C01 | C02 | C26 | H26 | 43.5° | 60.0° |
O23 | C11 | N12 | C06 | 178.7° | 180.0° |
O23 | C11 | C06 | N05 | 29.2° | 0.0° |
O23 | C11 | C06 | C07 | 90.8° | 120.0° |
O23 | C11 | C06 | H4 | 149.7° | 120.0° |
O23 | C11 | N12 | H36 | 179.8° | 175.5° |
N12 | C11 | C06 | N05 | 149.6° | 180.0° |
N12 | C11 | C06 | C07 | 90.4° | 60.0° |
N12 | C11 | C06 | H4 | 29.1° | 60.0° |
C11 | N12 | C13 | H14 | 9.1° | 9.4° |
C25 | C02 | O03 | C26 | 118.2° | 119.9° |
C25 | C02 | O03 | C04 | 172.9° | 60.0° |
C25 | C02 | C26 | C27 | 41.2° | 180.0° |
C25 | C02 | C26 | C33 | 82.6° | 60.0° |
C25 | C02 | C01 | H1 | 180.0° | 180.0° |
C25 | C02 | C01 | H2 | 60.0° | 60.0° |
C25 | C02 | C01 | H3 | 60.0° | 60.0° |
C02 | C25 | H23 | H24 | 120.0° | 120.0° |
C02 | C25 | H23 | H25 | 120.0° | 119.9° |
C02 | C25 | H24 | H25 | 120.0° | 120.0° |
C25 | C02 | C26 | H26 | 161.8° | 60.0° |
C11 | C06 | N05 | C04 | 67.5° | 155.0° |
C11 | C06 | N05 | C07 | 119.7° | 120.0° |
C11 | C06 | N05 | H4 | 119.8° | 120.0° |
C11 | C06 | C07 | H4 | 119.7° | 120.1° |
C11 | C06 | C07 | C08 | 174.3° | 175.0° |
C11 | C06 | C07 | H5 | 53.3° | 64.9° |
C11 | C06 | C07 | H6 | 64.8° | 55.0° |
C11 | C06 | N05 | H35 | 112.5° | 25.0° |
C06 | C11 | N12 | H36 | 1.4° | 4.5° |
C02 | O03 | C04 | O24 | 0.1° | 0.0° |
O03 | C02 | C26 | C27 | 157.3° | 60.0° |
C02 | O03 | C04 | N05 | 178.1° | 180.0° |
O03 | C02 | C26 | C33 | 33.5° | 59.9° |
O03 | C02 | C01 | H1 | 65.8° | 60.0° |
O03 | C02 | C01 | H2 | 54.2° | 180.0° |
O03 | C02 | C01 | H3 | 174.2° | 60.0° |
O03 | C02 | C25 | H23 | 62.4° | 180.0° |
O03 | C02 | C25 | H24 | 177.6° | 60.0° |
O03 | C02 | C25 | H25 | 57.6° | 60.1° |
O03 | C02 | C26 | H26 | 82.1° | 180.0° |
C26 | C02 | O03 | C04 | 68.9° | 180.0° |
C02 | C26 | C27 | C33 | 127.4° | 120.0° |
C02 | C26 | C27 | H26 | 120.6° | 120.0° |
C02 | C26 | C27 | C28 | 174.4° | 180.0° |
C02 | C26 | C33 | H26 | 115.5° | 120.0° |
C02 | C26 | C33 | C32 | 168.3° | 180.0° |
C26 | C02 | C01 | H1 | 60.0° | 60.0° |
C26 | C02 | C01 | H2 | 180.0° | 60.0° |
C26 | C02 | C01 | H3 | 60.0° | 180.0° |
C26 | C02 | C25 | H23 | 57.1° | 60.0° |
C26 | C02 | C25 | H24 | 62.9° | 60.0° |
C26 | C02 | C25 | H25 | 177.1° | 180.0° |
C02 | C26 | C27 | H27 | 53.6° | 60.0° |
C02 | C26 | C27 | H28 | 64.7° | 60.0° |
C02 | C26 | C33 | H33 | 71.1° | 60.0° |
C02 | C26 | C33 | H34 | 47.6° | 60.1° |
O24 | C04 | O03 | N05 | 178.2° | 180.0° |
O24 | C04 | N05 | C06 | 16.3° | 0.0° |
O24 | C04 | N05 | H35 | 163.7° | 180.0° |
O03 | C04 | N05 | C06 | 165.4° | 180.0° |
O03 | C04 | N05 | H35 | 14.6° | 0.0° |
C26 | C27 | C28 | H27 | 120.8° | 120.0° |
C26 | C27 | C28 | H28 | 120.9° | 120.0° |
C27 | C26 | C33 | H26 | 111.8° | 120.0° |
C26 | C27 | C28 | C29 | 56.3° | 60.0° |
C27 | C26 | C33 | C32 | 59.0° | 60.1° |
C26 | C27 | H27 | H28 | 117.4° | 119.9° |
C26 | C27 | C28 | H29 | 63.9° | 60.0° |
C26 | C27 | C28 | H30 | 176.5° | 180.0° |
C27 | C26 | C33 | H33 | 61.7° | 60.0° |
C27 | C26 | C33 | H34 | 179.7° | 180.0° |
C28 | C27 | C26 | C33 | 58.1° | 60.0° |
C27 | C28 | C29 | H29 | 120.2° | 120.0° |
C27 | C28 | C29 | H30 | 120.2° | 120.0° |
C27 | C28 | C29 | C32 | 49.7° | 60.0° |
C27 | C28 | C29 | F31 | 72.0° | 60.0° |
C27 | C28 | C29 | F30 | 173.3° | 180.0° |
C28 | C27 | C26 | H26 | 53.8° | 60.0° |
C28 | C27 | H27 | H28 | 117.4° | 120.1° |
C27 | C28 | H29 | H30 | 119.2° | 120.0° |
C04 | N05 | C06 | H35 | 180.0° | 180.0° |
C04 | N05 | C06 | C07 | 172.8° | 85.0° |
C04 | N05 | C06 | H4 | 52.2° | 35.0° |
C26 | C33 | C32 | H33 | 120.7° | 120.0° |
C26 | C33 | C32 | H34 | 120.7° | 119.9° |
C26 | C33 | C32 | C29 | 59.3° | 60.0° |
C33 | C26 | C27 | H27 | 179.0° | 180.0° |
C33 | C26 | C27 | H28 | 62.7° | 60.0° |
C26 | C33 | C32 | H31 | 179.7° | 60.0° |
C26 | C33 | C32 | H32 | 61.0° | 180.0° |
C26 | C33 | H33 | H34 | 117.9° | 120.0° |
N05 | C06 | C07 | H4 | 121.4° | 120.0° |
N05 | C06 | C07 | C08 | 55.4° | 65.0° |
N05 | C06 | C07 | H5 | 65.6° | 55.0° |
N05 | C06 | C07 | H6 | 176.3° | 175.0° |
C06 | C07 | C08 | H5 | 120.9° | 120.0° |
C06 | C07 | C08 | H6 | 120.9° | 119.9° |
C06 | C07 | C08 | C09 | 51.6° | 175.0° |
C06 | C07 | C08 | C10 | 177.6° | 65.0° |
C06 | C07 | H5 | H6 | 117.1° | 119.9° |
C06 | C07 | C08 | H7 | 65.1° | 55.0° |
C07 | C06 | N05 | H35 | 7.2° | 95.0° |
C28 | C29 | C32 | C33 | 51.4° | 60.0° |
C28 | C29 | C32 | F31 | 123.0° | 120.0° |
C28 | C29 | C32 | F30 | 122.6° | 120.0° |
C28 | C29 | F31 | F30 | 118.4° | 120.0° |
C29 | C28 | C27 | H27 | 177.2° | 180.0° |
C29 | C28 | C27 | H28 | 64.6° | 60.0° |
C29 | C28 | H29 | H30 | 119.2° | 120.0° |
C28 | C29 | C32 | H31 | 171.7° | 60.0° |
C28 | C29 | C32 | H32 | 69.0° | 179.9° |
C07 | C08 | C09 | C10 | 127.1° | 120.0° |
C07 | C08 | C09 | H7 | 116.7° | 120.0° |
C07 | C08 | C10 | H7 | 117.2° | 120.0° |
C08 | C07 | C06 | H4 | 66.0° | 54.9° |
C08 | C07 | H5 | H6 | 117.1° | 120.0° |
C07 | C08 | C09 | H8 | 180.0° | 60.0° |
C07 | C08 | C09 | H9 | 60.0° | 180.0° |
C07 | C08 | C09 | H10 | 60.0° | 60.0° |
C07 | C08 | C10 | H11 | 180.0° | 60.0° |
C07 | C08 | C10 | H12 | 60.0° | 180.0° |
C07 | C08 | C10 | H13 | 60.0° | 60.0° |
C33 | C32 | C29 | H31 | 120.3° | 120.0° |
C33 | C32 | C29 | H32 | 120.3° | 120.0° |
C33 | C32 | C29 | F31 | 71.6° | 60.0° |
C33 | C32 | C29 | F30 | 174.0° | 180.0° |
C32 | C33 | C26 | H26 | 52.7° | 60.0° |
C33 | C32 | H31 | H32 | 119.0° | 120.0° |
C32 | C33 | H33 | H34 | 117.9° | 120.0° |
C32 | C29 | F31 | F30 | 119.4° | 120.0° |
C32 | C29 | C28 | H29 | 70.5° | 60.0° |
C32 | C29 | C28 | H30 | 169.9° | 180.0° |
C29 | C32 | H31 | H32 | 119.0° | 120.0° |
C29 | C32 | C33 | H33 | 61.3° | 60.0° |
C29 | C32 | C33 | H34 | 179.9° | 179.9° |
F31 | C29 | C28 | H29 | 167.7° | 180.0° |
F31 | C29 | C28 | H30 | 48.2° | 60.0° |
F31 | C29 | C32 | H31 | 48.7° | 180.0° |
F31 | C29 | C32 | H32 | 168.0° | 59.9° |
F30 | C29 | C28 | H29 | 53.1° | 60.0° |
F30 | C29 | C28 | H30 | 66.4° | 60.0° |
F30 | C29 | C32 | H31 | 65.7° | 60.0° |
F30 | C29 | C32 | H32 | 53.6° | 60.0° |
C09 | C08 | C10 | H7 | 116.1° | 120.0° |
C09 | C08 | C07 | H5 | 172.5° | 55.0° |
C09 | C08 | C07 | H6 | 69.3° | 65.0° |
C08 | C09 | H8 | H9 | 120.0° | 120.0° |
C08 | C09 | H8 | H10 | 120.0° | 120.0° |
C08 | C09 | H9 | H10 | 120.0° | 119.9° |
C09 | C08 | C10 | H11 | 53.3° | 180.0° |
C09 | C08 | C10 | H12 | 173.3° | 60.0° |
C09 | C08 | C10 | H13 | 66.7° | 60.0° |
C10 | C08 | C07 | H5 | 61.5° | 175.0° |
C10 | C08 | C07 | H6 | 56.7° | 55.0° |
C10 | C08 | C09 | H8 | 52.9° | 60.0° |
C10 | C08 | C09 | H9 | 67.1° | 60.0° |
C10 | C08 | C09 | H10 | 172.9° | 180.0° |
C08 | C10 | H11 | H12 | 120.0° | 120.0° |
C08 | C10 | H11 | H13 | 120.0° | 120.0° |
C08 | C10 | H12 | H13 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.0° | 119.9° |
H4 | C06 | C07 | H5 | 173.0° | 175.0° |
H4 | C06 | C07 | H6 | 54.9° | 65.0° |
H4 | C06 | N05 | H35 | 127.7° | 145.0° |
H5 | C07 | C08 | H7 | 55.8° | 65.0° |
H6 | C07 | C08 | H7 | 174.0° | 175.0° |
H7 | C08 | C09 | H8 | 63.3° | 180.0° |
H7 | C08 | C09 | H9 | 176.7° | 60.0° |
H7 | C08 | C09 | H10 | 56.7° | 60.0° |
H7 | C08 | C10 | H11 | 62.8° | 60.0° |
H7 | C08 | C10 | H12 | 57.2° | 60.0° |
H7 | C08 | C10 | H13 | 177.2° | 180.0° |
H8 | C09 | H9 | H10 | 120.0° | 120.0° |
H11 | C10 | H12 | H13 | 120.0° | 120.0° |
H14 | C13 | C14 | H15 | 50.4° | 172.4° |
H14 | C13 | C14 | H16 | 169.1° | 67.6° |
H14 | C13 | C21 | S1 | 175.0° | 55.8° |
H14 | C13 | C21 | H22 | 59.8° | 175.8° |
H14 | C13 | N12 | H36 | 170.9° | 170.5° |
H15 | C14 | C15 | H17 | 173.8° | 167.0° |
H16 | C14 | C15 | H17 | 67.4° | 73.0° |
H17 | C15 | C19 | H19 | 1.7° | 123.2° |
H17 | C15 | C19 | H20 | 121.6° | 0.0° |
H18 | C18 | C19 | H19 | 63.2° | 61.5° |
H18 | C18 | C19 | H20 | 56.7° | 61.7° |
S1 | C21 | O22 | H37 | 59.9° | 180.0° |
C21 | S1 | O3 | O1 | 90.0° | 116.1° |
C21 | S1 | O3 | O2 | 90.0° | 116.1° |
C21 | S1 | O1 | O2 | 90.0° | 131.5° |
C21 | S1 | O3 | H21 | 90.0° | 180.0° |
H22 | C21 | O22 | H37 | 66.7° | 60.0° |
H22 | C21 | S1 | O3 | 26.5° | 60.4° |
H22 | C21 | S1 | O1 | 26.5° | 172.0° |
H22 | C21 | S1 | O2 | 26.5° | 51.3° |
H23 | C25 | H24 | H25 | 120.0° | 120.0° |
H26 | C26 | C27 | H27 | 67.0° | 60.0° |
H26 | C26 | C27 | H28 | 174.7° | 180.0° |
H26 | C26 | C33 | H33 | 173.4° | 180.0° |
H26 | C26 | C33 | H34 | 68.0° | 60.0° |
H27 | C27 | C28 | H29 | 56.9° | 60.0° |
H27 | C27 | C28 | H30 | 62.6° | 60.0° |
H28 | C27 | C28 | H29 | 175.2° | 180.0° |
H28 | C27 | C28 | H30 | 55.7° | 60.1° |
H31 | C32 | C33 | H33 | 59.0° | 180.0° |
H31 | C32 | C33 | H34 | 59.6° | 60.0° |
H32 | C32 | C33 | H33 | 178.3° | 60.0° |
H32 | C32 | C33 | H34 | 59.7° | 60.1° |
O3 | S1 | O1 | O2 | 90.0° | 116.7° |
O1 | S1 | O3 | H21 | 90.0° | 64.0° |
O2 | S1 | O3 | H21 | 90.0° | 63.9° |