REMARK  Name = BDB014137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.070   0.481   0.515  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -1.774   0.409  -0.009  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.935   1.516   0.087  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1       -1.336   2.668   0.677  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1       -2.581   2.714   1.190  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -3.474   1.659   1.140  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.298  -0.727   0.241  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -3.933  -0.680   0.410  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1       -3.446  -1.965   0.419  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1       -4.465  -2.801   0.284  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1       -5.576  -2.062   0.180  0.00  0.00    -0.253 N 
ATOM     12  H   LIG    1       -6.467  -2.532   0.055  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  F   LIG    1       -6.050   1.241  -0.774  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1       -6.361   0.260   0.104  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1       -6.652   0.854   1.287  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.512  -0.313  -0.335  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        0.427   1.499  -0.443  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1        1.183   2.634  -0.666  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1        2.339   2.214  -1.124  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1        2.373   0.853  -1.208  0.00  0.00    -0.332 N 
ATOM     21  C   LIG    1        1.158   0.378  -0.791  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1        3.486   0.062  -1.703  0.00  0.00    +0.157 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.218  -0.632  -0.582  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1        4.047  -2.008  -0.364  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        4.720  -2.650   0.678  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.566  -1.921   1.510  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        6.395  -2.714   2.792  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.745  -0.555   1.310  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.073   0.088   0.268  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 5