REMARK  Name = BDB047820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.270  -0.720  -0.124  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -0.999   0.474  -0.362  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.393   0.416  -0.298  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.050  -0.783   0.003  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.335  -1.964   0.253  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.933  -1.911   0.185  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.284   1.658  -0.627  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.698   2.483  -1.781  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.661   3.641  -1.424  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.232   4.430  -0.251  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -2.223   5.452   0.077  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.012   3.525   0.896  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        0.043   2.442   0.587  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -3.036  -3.222   0.573  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -2.734  -4.413  -0.109  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.399  -5.606   0.190  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.379  -5.628   1.179  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.692  -4.461   1.869  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.027  -3.269   1.569  0.00  0.00    +0.008 A 
ENDBRANCH   5  14
BRANCH   1  21
ATOM     20  C   LIG    1        2.082  -1.601  -0.132  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        1.133  -0.614  -0.250  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.420   0.329  -0.501  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.898  -2.789   0.102  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        6.140   1.412   0.570  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        5.421   0.272  -0.095  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.100  -0.086   0.244  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        3.288   0.786   1.505  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.473  -1.162  -0.410  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        4.173  -1.904  -1.375  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.479  -1.559  -1.707  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.085  -0.480  -1.073  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1        7.344  -0.170  -1.415  0.00  0.00    -0.205 F 
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 4