REMARK  Name = BDB032180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.302  -1.919  -0.081  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -1.968  -0.707  -0.069  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.300  -0.353  -0.642  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -3.393   1.078  -0.374  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -2.335   1.531   0.400  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.171   2.640   0.871  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.409   0.405   0.556  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -0.186   0.369   1.195  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        0.505  -0.849   1.204  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -0.054  -1.981   0.556  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -4.626   1.842  -0.517  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.683   1.440   0.526  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.457   0.744   1.514  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.953   1.916   0.289  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.645   1.635   0.970  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.462   2.279  -0.932  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.673   2.348  -1.118  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.459   2.609  -2.012  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.231   1.717  -1.912  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1       -1.300  -4.214  -0.691  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.935  -2.941  -0.725  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1        1.859  -0.944   1.863  0.00  0.00    +0.269 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.831  -0.511   0.909  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.112  -0.607   1.351  0.00  0.00    +0.405 C 
ATOM     25  N   LIG    1        4.934  -0.146   0.363  0.00  0.00    -0.251 N 
ATOM     26  H   LIG    1        4.433   0.169  -0.457  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        4.423  -1.038   2.449  0.00  0.00    -0.226 OA
BRANCH  25  28
ATOM     28  C   LIG    1        6.336  -0.056   0.363  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        7.141  -0.459   1.433  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        8.532  -0.336   1.349  0.00  0.00    +0.078 A 
ATOM     31 CL   LIG    1        9.509  -0.838   2.676  0.00  0.00    -0.081 Cl
ATOM     32  C   LIG    1        9.118   0.187   0.200  0.00  0.00    +0.142 A 
ATOM     33  F   LIG    1       10.450   0.311   0.102  0.00  0.00    -0.204 F 
ATOM     34  C   LIG    1        8.330   0.591  -0.871  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        6.941   0.469  -0.789  0.00  0.00    +0.026 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6