REMARK  Name = BDB023349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.354  -0.256   0.002  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -0.338   0.861   0.485  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        0.126   1.704   0.796  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.222  -1.227  -0.466  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        7.437  -1.658  -1.127  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        6.222  -0.924  -0.636  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1        4.944  -1.421  -0.922  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.864  -0.709  -0.408  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        3.973   0.438   0.365  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.634   0.818   0.665  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.795  -0.106   0.062  0.00  0.00    +0.192 A 
ATOM     12  C   LIG    1        5.258   0.936   0.672  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1        5.509   2.158   1.510  0.00  0.00    +0.044 C 
ATOM     14  O   LIG    1        2.558  -1.039  -0.590  0.00  0.00    -0.450 OA
ATOM     15  C   LIG    1        6.367   0.225   0.157  0.00  0.00    +0.007 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  S   LIG    1       -1.964   0.860   0.830  0.00  0.00    +0.075 S 
ATOM     17  O   LIG    1       -2.224   2.197   1.325  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.212  -0.308   1.642  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.797   0.730  -0.737  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1       -4.120   0.251  -0.806  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -4.713   0.140  -2.080  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -4.026   0.507  -3.239  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.732   1.004  -3.150  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.117   1.121  -1.904  0.00  0.00    +0.029 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.934  -0.097   0.366  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.200  -1.438   0.682  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.989  -1.768   1.786  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.527  -0.762   2.586  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.276   0.574   2.283  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.487   0.905   1.179  0.00  0.00    +0.008 A 
ENDBRANCH  20  25
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 4