REMARK  Name = BDB018474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.683  -4.831  -1.428  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.558  -3.473  -0.922  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.602  -2.924  -0.186  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.656  -3.495   0.078  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.392  -1.536   0.294  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.249  -0.875   0.041  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.172  -1.528  -0.720  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.384  -2.782  -1.167  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.183   0.516   0.534  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -1.859   0.783   1.872  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.760   2.102   2.322  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.989   3.155   1.440  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -1.857   4.779   1.992  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.320   2.902   0.110  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.415   1.584  -0.344  0.00  0.00    +0.010 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        0.064  -0.858  -0.987  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.950  -0.374  -0.051  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        1.976   0.242  -0.730  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1        1.824   0.069  -2.076  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.660  -0.566  -2.219  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.111   0.969  -0.242  0.00  0.00    +0.085 A 
ATOM     22  C   LIG    1        3.299   1.362   1.097  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1        4.468   2.061   1.440  0.00  0.00    +0.143 A 
ATOM     24  F   LIG    1        4.673   2.444   2.710  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1        5.440   2.386   0.501  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.256   2.017  -0.822  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.103   1.319  -1.190  0.00  0.00    +0.029 A 
BRANCH  22  28
ATOM     28  C   LIG    1        2.373   1.147   2.166  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        1.629   0.969   3.040  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4