REMARK  Name = BDB033932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.339  -2.027  -0.156  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.206  -4.481   0.190  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.293  -3.404  -0.656  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        0.149  -3.520  -1.657  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.251  -4.366   1.410  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -0.022  -6.980   0.415  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.068  -5.802  -0.538  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.029  -1.120  -1.350  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.305   0.191  -1.033  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -0.017   0.516  -0.111  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.071  -1.553  -2.502  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -0.449   1.222  -2.067  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.329   2.390  -1.528  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -1.416   3.547  -2.531  0.00  0.00    +0.009 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.744   1.870  -1.169  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -3.626   2.901  -0.476  0.00  0.00    +0.004 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1        0.967   1.647  -2.552  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.806   2.239  -1.502  0.00  0.00    -0.328 NA
ATOM     19  H   LIG    1        1.815   1.619  -0.688  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1        1.388   3.108  -1.177  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1        1.728  -1.676   0.396  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.651  -0.609   1.450  0.00  0.00    +0.082 A 
ATOM     23  S   LIG    1        2.152  -0.932   3.058  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        1.749   0.677   3.514  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        1.256   1.354   2.397  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1        0.860   2.700   2.537  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        0.966   3.328   3.784  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        1.461   2.628   4.880  0.00  0.00    +0.042 A 
ATOM     29 CL   LIG    1        1.583   3.421   6.404  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        1.861   1.295   4.770  0.00  0.00    +0.037 A 
ATOM     31  N   LIG    1        1.202   0.611   1.227  0.00  0.00    -0.244 NA
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 10