REMARK  Name = BDB030198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.142   0.474  -0.994  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.130   1.495  -0.915  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.258  -0.243  -0.603  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.191  -1.441  -0.332  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.553   0.481  -0.503  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.669   1.849  -0.737  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.587   2.577  -1.061  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.909   2.474  -0.634  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.060   4.164  -0.927  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.043   1.735  -0.290  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.965   0.352  -0.036  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.700  -0.256  -0.156  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.177  -0.413   0.325  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1        7.339   0.066  -0.188  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1        8.482  -0.595   0.103  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        8.537  -1.726   0.896  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.348  -2.207   1.426  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.154  -1.546   1.140  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -1.210  -0.211  -0.725  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -1.052  -1.206  -0.498  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.088   0.490   0.569  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -2.021  -0.434   1.679  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.652   1.867   0.691  0.00  0.00    -0.152 OA
BRANCH  21  26
ATOM     24  C   LIG    1       -5.909  -0.569  -0.271  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -4.601  -0.568   0.233  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.731   0.480  -0.089  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -4.152   1.548  -0.887  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1       -5.452   1.542  -1.375  0.00  0.00    +0.119 A 
ATOM     29  C   LIG    1       -6.327   0.500  -1.077  0.00  0.00    +0.049 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -7.633  -1.390   1.355  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -6.864  -1.682   0.076  0.00  0.00    +0.032 C 
ENDBRANCH  24  31
BRANCH  28  32
ATOM     32  O   LIG    1       -5.921   2.555  -2.158  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1       -5.225   3.225  -2.261  0.00  0.00    +0.292 HD
ENDBRANCH  28  32
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7