REMARK  Name = BDB038493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.042  -1.295   0.466  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.703  -0.975   0.164  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.192  -0.514   1.142  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.292  -0.367   2.451  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.610  -0.694   2.776  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.476  -1.162   1.792  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.544  -0.198   0.833  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -2.195  -0.432  -0.384  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -1.817  -0.973  -1.405  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.559   0.095  -0.247  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.574   0.120  -1.185  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -5.791   0.684  -0.801  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.962   1.203   0.496  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.919   1.169   1.440  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.712   0.603   1.037  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -2.440   0.420   1.800  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.089   1.722   2.829  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -4.849   0.785   3.788  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.332   2.211   3.082  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.222   2.740   3.087  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        3.329  -1.033  -1.721  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.962  -1.774  -0.580  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        3.509  -3.058  -0.476  0.00  0.00    +0.120 A 
ATOM     24  N   LIG    1        4.350  -3.627  -1.372  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        4.645  -2.899  -2.465  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        4.165  -1.621  -2.681  0.00  0.00    +0.032 A 
BRANCH  21  29
ATOM     27  C   LIG    1        3.865   1.566  -0.008  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1        3.094   1.445  -1.215  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1        2.869   0.331  -1.987  0.00  0.00    +0.164 A 
ATOM     30  N   LIG    1        2.229   0.719  -3.078  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1        1.986   2.068  -2.991  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1        2.506   2.489  -1.865  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 4