REMARK  Name = BDB030013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.311   1.502  -0.795  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.167   2.582  -0.880  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.085   3.405  -0.281  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.569   0.432  -1.344  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.997   0.656   0.855  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.807   0.571   0.111  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.931   1.663   0.008  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.255   2.851   0.661  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.433   3.911   0.589  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.432   2.948   1.401  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.833   4.417   2.210  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.301   1.860   1.500  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        6.761  -2.449   1.796  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        5.521  -1.869   1.346  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.106  -0.581   1.542  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        3.869  -0.506   0.935  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        3.540  -1.723   0.381  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        4.550  -2.520   0.645  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -2.506   2.367  -1.534  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.490   1.755  -2.357  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.825   2.096  -0.503  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -5.023   2.179  -1.307  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.634   2.946   0.655  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.590   0.399   0.021  0.00  0.00    +0.192 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.711  -0.625  -1.098  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -3.206  -1.995  -0.675  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1       -3.883  -2.961  -1.491  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1       -4.955  -2.306  -2.180  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -5.130  -0.955  -1.522  0.00  0.00    +0.035 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6