REMARK  Name = BDB015354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.792  -4.034   1.212  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.347  -2.680   0.935  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.563  -2.024   1.848  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.802  -1.657   0.814  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        3.064  -2.243   0.704  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.195  -1.428   0.617  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.080  -0.028   0.655  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        2.802   0.540   0.788  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.666  -0.268   0.875  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.270   0.828   0.551  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.177   1.018   1.611  0.00  0.00    +0.049 A 
ATOM     12 CL   LIG    1        5.950   0.265   3.153  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        7.297   1.843   1.456  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        7.530   2.491   0.244  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.644   2.318  -0.815  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.525   1.495  -0.662  0.00  0.00    +0.010 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1       -0.254  -2.652  -0.648  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -0.684  -1.487  -1.316  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1       -0.195  -1.337  -2.507  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        0.717  -2.478  -2.745  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.488  -3.478  -1.618  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -1.568  -0.641  -0.707  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -2.707  -1.164   0.075  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -4.055  -0.661  -0.487  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.210   0.815  -0.512  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -2.881   1.474  -0.588  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -1.837   0.653  -1.368  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.912   1.274   0.697  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -6.428   0.958   0.577  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -6.682   2.370   1.145  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -5.316   2.766   0.546  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 5