REMARK  Name = BDB047334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.682  -0.999   1.043  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.012  -1.609   1.484  0.00  0.00    +0.070 C 
BRANCH   2  12
ATOM      3  O   LIG    1        5.311   1.504   2.429  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        4.570   1.015   1.580  0.00  0.00    +0.243 C 
ATOM      5  C   LIG    1        4.720   1.359   0.106  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        4.612   0.091  -0.744  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        5.971  -0.557  -1.016  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1        6.841   0.271  -1.963  0.00  0.00    +0.071 C 
ATOM      9  S   LIG    1        6.598   2.071  -1.833  0.00  0.00    -0.160 S 
ATOM     10  N   LIG    1        3.723  -0.882  -0.141  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1        3.317  -1.574  -0.765  0.00  0.00    +0.147 HD
ATOM     12  C   LIG    1        3.157  -0.696   1.088  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1        6.019   2.143  -0.111  0.00  0.00    +0.083 C 
ATOM     14  N   LIG    1        3.514   0.213   1.929  0.00  0.00    -0.170 NA
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.492  -1.900   1.447  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.834  -1.432   1.092  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1       -2.030  -1.205  -0.342  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -3.526  -1.024  -0.655  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -4.197  -0.050   0.285  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1       -3.598   0.281   1.444  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -2.268  -0.272   1.879  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.510   0.507  -0.101  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -5.790   1.873   0.057  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -7.027   2.401  -0.326  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -8.000   1.570  -0.876  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.736   0.213  -1.045  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.499  -0.314  -0.663  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5