REMARK  Name = BDB022191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070   1.933  -1.438  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.316   2.293  -0.567  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.536   1.556  -1.020  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.845   1.380  -0.493  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.620   0.678  -1.332  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -3.844   0.458  -2.409  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.393  -0.251  -3.538  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.419   1.873   0.786  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.598   0.994  -2.272  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.606   1.039  -3.214  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -1.757   0.760  -4.176  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.404   1.646  -2.924  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.426   1.783  -3.825  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.141   2.075   0.930  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1       -1.172   0.799   1.526  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -0.936   0.633   2.896  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1       -0.972  -0.975   3.526  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -0.669   1.747   3.695  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1       -0.361   1.619   5.390  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -0.638   3.018   3.121  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -0.866   3.181   1.751  0.00  0.00    +0.006 A 
ENDBRANCH   2  14
BRANCH   1  23
ATOM     22  C   LIG    1        1.748   0.905  -0.098  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        0.701   0.768  -0.983  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        0.335  -0.152  -1.190  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        2.134   1.982   0.339  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1        3.458  -2.740   1.357  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1        3.104  -2.634  -0.005  0.00  0.00    +0.162 A 
ATOM     28  C   LIG    1        2.550  -1.444  -0.490  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        2.360  -0.360   0.375  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        2.744  -0.452   1.714  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        3.283  -1.641   2.206  0.00  0.00    +0.050 A 
BRANCH  26  33
ATOM     32  C   LIG    1        4.280  -4.116   3.129  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        3.977  -3.948   1.752  0.00  0.00    -0.491 OA
ENDBRANCH  26  33
BRANCH  27  34
ATOM     34  O   LIG    1        3.317  -3.752  -0.774  0.00  0.00    -0.491 OA
ATOM     35  C   LIG    1        3.262  -3.597  -2.185  0.00  0.00    +0.277 C 
ENDBRANCH  27  34
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 5