REMARK  Name = BDB015573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.956  -0.663   0.121  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.334  -1.816  -0.134  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.998  -1.779  -0.013  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.719  -0.693   0.311  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.040   0.439   0.579  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.335   0.492   0.524  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.874   1.600   0.977  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -1.540   2.846   0.591  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -2.299   3.958   0.927  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1       -1.853   5.264   0.462  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.479   3.868   1.676  0.00  0.00    +0.269 A 
ATOM     12  O   LIG    1       -4.162   4.841   1.986  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -3.869   2.480   2.083  0.00  0.00    +0.106 A 
ATOM     14 CL   LIG    1       -5.317   2.264   2.989  0.00  0.00    -0.078 Cl
ATOM     15  C   LIG    1       -3.103   1.437   1.742  0.00  0.00    +0.037 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.365  -0.805   0.028  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.527  -1.783  -0.227  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.112   0.188  -1.122  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        2.975  -0.474  -2.400  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.682   1.556  -0.923  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.815   0.058  -0.588  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.742   0.856  -1.499  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.850  -0.510  -1.058  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.195   0.862  -1.023  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.648  -2.970  -0.310  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.938  -3.083   0.155  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -3.192  -3.163   1.527  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -2.182  -3.107   2.408  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -4.491  -3.302   2.002  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.548  -3.376   1.097  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.299  -3.319  -0.278  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.990  -3.185  -0.766  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -3.734  -3.116  -2.244  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8