REMARK  Name = BDB028663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.683  -0.238   0.770  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.524   1.099   1.180  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.609   1.743   1.752  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        1.253   3.000   2.122  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.082   3.207   1.825  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        2.866   1.173   1.936  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.023  -0.163   1.530  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.492   2.089   1.218  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        1.935  -0.856   0.970  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.080  -1.645  -0.930  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.392  -0.931   0.266  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.821   1.997   0.807  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -2.339   2.803   1.165  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.153   1.927  -0.853  0.00  0.00    +0.079 S 
ATOM     15  O   LIG    1       -2.791   3.182  -1.196  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.974   1.474  -1.559  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.394   0.700  -0.952  0.00  0.00    +0.178 A 
ATOM     18  C   LIG    1       -4.433   0.700  -0.031  0.00  0.00    +0.153 A 
ATOM     19  F   LIG    1       -4.513   1.636   0.926  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1       -5.437  -0.267  -0.089  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1       -5.409  -1.253  -1.082  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1       -6.503  -2.274  -1.175  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -4.376  -1.227  -2.026  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.377  -0.254  -1.956  0.00  0.00    +0.153 A 
ATOM     25  F   LIG    1       -2.426  -0.269  -2.899  0.00  0.00    -0.203 F 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  26
ATOM     26  C   LIG    1        4.353  -0.857   1.722  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.391  -0.272   0.884  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1        6.322   0.539   1.430  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        7.098   0.870   0.395  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1        6.680   0.265  -0.804  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        5.577  -0.477  -0.455  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6