REMARK  Name = BDB032989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.429  -0.432  -0.643  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.351   0.305   0.064  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.048   0.962   0.768  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.643  -1.312  -1.464  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.040   1.034   0.584  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.616   0.652   0.300  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -3.213  -0.689   0.385  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.894  -1.074   0.093  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -1.511  -2.524   0.190  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -0.980  -0.085  -0.311  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.383   1.254  -0.423  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.695   1.618  -0.119  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   2  13
ATOM     13  C   LIG    1        2.697   0.141  -0.096  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.642   1.130   0.932  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        5.040   0.452   0.241  0.00  0.00    +0.185 A 
ATOM     16  C   LIG    1        4.713  -0.474  -0.720  0.00  0.00    +0.153 A 
ATOM     17  N   LIG    1        3.354  -0.647  -0.910  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        6.350   0.841   0.652  0.00  0.00    +0.065 N 
ATOM     19  O   LIG    1        7.295   0.280   0.083  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        6.453   1.700   1.537  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 3