REMARK  Name = BDB056607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.392  -0.182  -0.656  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.455  -0.899   0.487  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -1.648  -1.133   1.090  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -2.830  -0.627   0.545  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.747   0.120  -0.627  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1       -4.026   0.509  -0.955  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1       -4.269   1.067  -1.760  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -4.917   0.027  -0.032  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -4.204  -0.681   0.911  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -1.528   0.364  -1.258  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -6.443   0.257  -0.070  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -7.354  -0.215   0.843  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -8.573   0.227   0.414  0.00  0.00    -0.274 N 
ATOM     14  C   LIG    1       -9.851  -0.009   1.039  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1       -8.513   0.956  -0.718  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.209   0.971  -1.010  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.851   0.065  -1.289  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        0.774  -0.144  -2.281  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1        4.789  -0.694   0.052  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        4.508  -0.713  -1.314  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        3.201  -0.473  -1.740  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1        2.885  -0.482  -3.443  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        2.155  -0.237  -0.821  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        2.479  -0.205   0.545  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        3.784  -0.446   0.986  0.00  0.00    +0.030 A 
BRANCH  19  26
ATOM     26  S   LIG    1        6.453  -0.998   0.585  0.00  0.00    +0.060 S 
ATOM     27  O   LIG    1        6.905  -2.190  -0.100  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        6.505  -0.893   2.028  0.00  0.00    -0.153 OA
BRANCH  26  30
ATOM     29  C   LIG    1        6.931   1.655   0.530  0.00  0.00    +0.131 C 
ATOM     30  N   LIG    1        7.301   0.346  -0.056  0.00  0.00    -0.183 NA
ATOM     31  C   LIG    1        8.770   0.150  -0.054  0.00  0.00    +0.131 C 
ENDBRANCH  26  30
ENDBRANCH  19  26
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 5