BetaEstradiol
SKCATALYST01019200003D

 44 47  0  0  1
    3.5946    9.2770    1.4670 C   0  0  0  0  0
    3.4334    8.7286    0.0032 C   0  0  3  0  0
    3.4403    7.1919    0.0089 C   0  0  3  0  0
    2.1729    6.6222    0.6549 C   0  0  3  0  0
    1.0435    7.1179   -0.2826 C   0  0  3  0  0
    0.8859    8.6632   -0.0804 C   0  0  0  0  0
    2.1425    9.3514   -0.6123 C   0  0  0  0  0
    2.1456    5.1145    0.8654 C   0  0  0  0  0
    0.7606    4.6630    1.3423 C   0  0  0  0  0
   -0.3176    5.1060    0.4365 C   0  0  0  0  0
   -0.1978    6.3191   -0.3142 C   0  0  0  0  0
   -1.4772    4.2963    0.3049 C   0  0  0  0  0
   -2.5036    4.6978   -0.6021 C   0  0  0  0  0
   -2.3979    5.9015   -1.2952 C   0  0  0  0  0
   -1.2517    6.7130   -1.1388 C   0  0  0  0  0
   -3.5986    3.0902   -0.2920 H   0  0  0  0  0
   -3.5741    3.9233   -0.7686 O   0  0  0  0  0
    4.8206    6.8367    0.5722 C   0  0  0  0  0
    5.7019    7.8729   -0.1885 C   0  0  0  0  0
    4.7688    8.9629   -0.8064 C   0  0  3  0  0
    4.6268    8.7704   -1.8490 H   0  0  0  0  0
    4.8656    6.9798    1.6312 H   0  0  0  0  0
    5.3215   10.2677   -0.6373 O   0  0  0  0  0
    2.7847    8.9253    2.0702 H   0  0  0  0  0
    4.5207    8.9322    1.8773 H   0  0  0  0  0
    3.5887   10.3468    1.4500 H   0  0  0  0  0
    3.3563    6.7113   -0.9430 H   0  0  0  0  0
    2.0817    6.9617    1.6651 H   0  0  0  0  0
    1.3452    6.9399   -1.2934 H   0  0  0  0  0
    0.7572    8.8860    0.9577 H   0  0  0  0  0
    0.0293    9.0117   -0.6170 H   0  0  0  0  0
    2.1027   10.3851   -0.3388 H   0  0  0  0  0
    2.1757    9.2422   -1.6758 H   0  0  0  0  0
    2.8682    4.8563    1.6103 H   0  0  0  0  0
    2.3763    4.6260   -0.0575 H   0  0  0  0  0
    0.5849    5.1058    2.3000 H   0  0  0  0  0
    0.7469    3.5947    1.3961 H   0  0  0  0  0
   -1.5796    3.3980    0.8772 H   0  0  0  0  0
   -3.1872    6.2123   -1.9480 H   0  0  0  0  0
   -1.1910    7.6448   -1.6611 H   0  0  0  0  0
    6.3887    8.3303    0.4926 H   0  0  0  0  0
    6.2554    7.3834   -0.9626 H   0  0  0  0  0
    4.7202   10.9200   -1.0046 H   0  0  0  0  0
    5.1105    5.8157    0.4386 H   0  0  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  2  1  0  0  0
  4  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11  5  1  0  0  0
 10 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 11  1  0  0  0
 16 17  1  0  0  0
 17 13  1  0  0  0
  3 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20  2  1  0  0  0
 20 21  1  0  0  0
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 20 23  1  0  0  0
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  3 27  1  0  0  0
  4 28  1  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 12 38  1  0  0  0
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 15 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 23 43  1  0  0  0
 18 44  1  0  0  0
M  END
$$$$
