REMARK  Name = BDB048596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.280  -1.067   0.651  0.00  0.00    -0.120 S 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -5.748   0.100   0.434  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -5.043  -0.243  -0.712  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -5.572  -0.364  -2.111  0.00  0.00    +0.039 C 
ATOM      5  C   LIG    1       -4.276  -0.359  -2.928  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1       -3.197  -0.979  -2.033  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -3.682  -0.592  -0.666  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -2.990  -0.603   0.537  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.693  -0.253   1.696  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -5.056   0.098   1.647  0.00  0.00    +0.047 A 
BRANCH   2  11
ATOM     11  O   LIG    1       -7.067   0.402   0.259  0.00  0.00    -0.481 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -7.809   0.752   1.431  0.00  0.00    +0.349 C 
BRANCH  12  14
ATOM     13  O   LIG    1      -10.117   1.395   1.802  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -9.241   1.051   1.022  0.00  0.00    +0.343 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -9.463   0.900  -0.308  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.629   0.621  -0.746  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   2  11
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.533   0.570   0.370  0.00  0.00    +0.109 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.973   0.501   0.392  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1        1.692   0.191  -0.771  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.090   0.115  -0.751  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.787   0.343   0.434  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.075   0.645   1.597  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        1.680   0.721   1.581  0.00  0.00    +0.008 A 
BRANCH  21  24
ATOM     24  O   LIG    1        5.144   0.301   0.594  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.922  -0.047  -0.547  0.00  0.00    +0.264 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.374  -0.064  -0.134  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        7.922  -1.200   0.480  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        9.260  -1.214   0.879  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       10.054  -0.087   0.676  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       11.703  -0.103   1.169  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        9.520   1.054   0.082  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        8.182   1.068  -0.319  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10