REMARK  Name = BDB040477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.050   1.546   0.347  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.675   1.697  -0.892  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.946   1.153  -1.128  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -2.610   1.457  -2.700  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.631   0.420  -0.134  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.990   0.292   1.117  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.719  -0.526   2.459  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.721   0.840   1.348  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.004  -0.205  -0.373  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.062  -1.098  -1.610  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.127  -1.812  -1.969  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.262  -1.138  -2.280  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.293  -1.744  -3.088  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.467  -0.624  -1.875  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.501  -0.880  -2.486  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.462   0.186  -0.603  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.114   0.853  -0.379  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.334   2.087   0.591  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.867   0.370   1.496  0.00  0.00    +0.224 C 
ATOM     20  N   LIG    1        2.313   1.040   0.423  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.544   0.753  -0.519  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.591   0.664   2.658  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.956  -1.890   0.451  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1        3.811  -0.802   1.131  0.00  0.00    +0.074 C 
ATOM     25  C   LIG    1        4.423  -1.405   2.410  0.00  0.00    +0.026 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.924  -0.308   0.216  0.00  0.00    +0.024 A 
ATOM     27  S   LIG    1        5.835   1.112   0.579  0.00  0.00    +0.008 S 
ATOM     28  N   LIG    1        6.797   1.057  -0.768  0.00  0.00    -0.218 NA
ATOM     29  C   LIG    1        6.480  -0.023  -1.471  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1        5.427  -0.835  -0.963  0.00  0.00    +0.033 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5