REMARK  Name = BDB001184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.394  -1.188   0.126  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.197  -1.066  -0.589  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.583  -2.201  -0.829  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        0.186  -3.457  -0.364  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.002  -3.576   0.356  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.789  -2.447   0.607  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.587   1.109   0.490  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.189   0.048   0.382  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -3.556  -0.133   0.465  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.912  -1.072   0.280  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -4.562   0.851   0.648  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -5.912   0.445   0.770  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1       -6.941   1.395   0.863  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -6.625   2.750   0.893  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -7.883   3.915   1.021  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -5.300   3.165   0.822  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -4.275   2.220   0.696  0.00  0.00    +0.025 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -6.250  -1.002   0.796  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -5.603  -1.838   0.184  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -7.273  -1.322   1.614  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -7.583  -0.614   2.209  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  S   LIG    1        2.102  -2.026  -1.728  0.00  0.00    +0.061 S 
ATOM     23  O   LIG    1        1.761  -1.502  -3.033  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1        2.864  -3.248  -1.581  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1        2.923  -0.816  -0.857  0.00  0.00    -0.172 NA
ATOM     26  C   LIG    1        4.054  -0.232  -1.628  0.00  0.00    +0.144 C 
ATOM     27  C   LIG    1        4.865   0.783  -0.848  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1        4.728   0.913   0.549  0.00  0.00    -0.041 A 
ATOM     29  C   LIG    1        5.495   1.861   1.243  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        6.414   2.656   0.560  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.559   2.509  -0.814  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1        7.444   3.271  -1.469  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        3.713   0.077   1.289  0.00  0.00    +0.052 C 
ATOM     34  C   LIG    1        5.798   1.585  -1.521  0.00  0.00    +0.043 A 
ATOM     35  C   LIG    1        3.350  -1.192   0.517  0.00  0.00    +0.114 C 
ENDBRANCH  22  25
ENDBRANCH   3  22
TORSDOF 6