REMARK  Name = BDB065321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045   2.116  -1.004  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.067   2.009  -2.391  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.221   1.829  -3.047  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.117   2.077  -3.116  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.332   2.256  -2.448  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.370   2.364  -1.047  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.164   2.321  -0.330  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -4.871   0.367  -1.107  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1       -4.239  -0.156   0.186  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1       -3.606  -1.446  -0.017  0.00  0.00    -0.307 N 
ATOM     11  C   LIG    1       -2.281  -1.580  -0.338  0.00  0.00    +0.151 A 
ATOM     12  N   LIG    1       -1.994  -2.860  -0.433  0.00  0.00    -0.133 NA
ATOM     13  N   LIG    1       -3.133  -3.568  -0.129  0.00  0.00    -0.132 NA
ATOM     14  C   LIG    1       -1.357  -0.427  -0.490  0.00  0.00    +0.184 C 
ATOM     15  N   LIG    1       -1.988   0.859  -0.145  0.00  0.00    -0.288 N 
ATOM     16  C   LIG    1       -1.297   2.068  -0.235  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -1.659   3.103   0.319  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -4.099  -2.711   0.148  0.00  0.00    +0.159 A 
ATOM     19  C   LIG    1       -3.179   0.824   0.712  0.00  0.00    +0.133 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -5.457  -3.070   0.627  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -6.416  -2.277  -0.059  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -7.271  -2.729   0.047  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  16
BRANCH   6  23
ATOM     23  C   LIG    1        3.691   2.579  -0.338  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.869   1.704   0.896  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        4.184   0.259   0.748  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        4.302  -0.488   1.919  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.584  -1.859   1.866  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        4.750  -2.484   0.632  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.637  -1.742  -0.543  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.127   0.179   3.219  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        4.226  -0.437   4.274  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        3.850   1.523   3.175  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        3.726   2.001   4.063  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        4.356  -0.373  -0.489  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        3.716   2.279   2.053  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5