REMARK  Name = BDB032157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.591   0.245   0.166  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.525   0.024   1.028  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.456   0.272   2.216  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.454  -0.582   0.231  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.935  -0.766  -1.060  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.117  -1.320  -2.015  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        0.185  -1.692  -1.673  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        0.665  -1.516  -0.354  0.00  0.00    -0.007 A 
ATOM      9  F   LIG    1       -1.559  -1.499  -3.265  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.173  -0.940   0.615  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.345  -0.309  -1.162  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -9.038   0.704   0.546  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.816   0.711   0.656  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -7.136  -0.406   1.071  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.710  -1.230   1.186  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.799  -0.659   0.861  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -5.382  -1.814   0.838  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.920   0.587   0.660  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -5.649   1.567  -0.255  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.985   1.940   0.369  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        2.080  -1.901  -0.003  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.895  -0.740  -0.176  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.211  -0.954   0.085  0.00  0.00    +0.405 C 
ATOM     24  N   LIG    1        4.875   0.225  -0.104  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        4.268   0.984  -0.384  0.00  0.00    +0.158 HD
ATOM     26  O   LIG    1        4.672  -2.031   0.425  0.00  0.00    -0.226 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.248   0.489   0.046  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        7.187  -0.472   0.428  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        8.535  -0.124   0.552  0.00  0.00    +0.044 A 
ATOM     30 CL   LIG    1        9.684  -1.317   1.023  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        8.964   1.175   0.301  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        8.028   2.131  -0.079  0.00  0.00    +0.044 A 
ATOM     33 CL   LIG    1        8.538   3.744  -0.396  0.00  0.00    -0.083 Cl
ATOM     34  C   LIG    1        6.679   1.796  -0.208  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5