REMARK  Name = BDB009506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.361  -2.658  -1.280  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.929  -3.575  -2.155  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.692  -4.889  -2.032  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.733  -3.133  -3.201  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.981  -1.766  -3.361  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.437  -0.827  -2.468  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.616  -1.288  -1.427  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  N   LIG    1        1.804  -2.790  -0.101  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        0.451  -3.128  -0.149  0.00  0.00    +0.249 C 
ATOM     10  O   LIG    1       -0.126  -3.750   0.740  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     11  C   LIG    1        3.120  -3.433  -2.098  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1        2.575  -2.296  -1.248  0.00  0.00    +0.105 C 
ENDBRANCH   8  12
BRANCH   8  13
ATOM     13  C   LIG    1        2.579  -3.267   1.053  0.00  0.00    +0.127 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.213  -2.568   2.373  0.00  0.00    +0.123 C 
BRANCH  14  15
ATOM     15  N   LIG    1        2.228  -1.117   2.291  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1        1.354  -0.665   2.062  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        3.403  -0.414   2.141  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        4.508  -0.942   2.094  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.266   1.060   1.988  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.230   1.773   2.604  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        2.151   3.160   2.454  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.099   3.836   1.687  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.138   3.131   1.079  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.227   1.747   1.235  0.00  0.00    +0.013 A 
ENDBRANCH  17  19
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   1   9
BRANCH   6  25
ATOM     25  C   LIG    1       -1.695   0.649  -2.694  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.621   1.501  -1.431  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -2.817   1.611  -0.541  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -4.099   0.905  -0.884  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -5.094   0.855   0.280  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.164   2.194   1.004  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.792   2.595   1.550  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -2.677   2.357   0.568  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -1.376   3.005   0.872  0.00  0.00    +0.268 A 
ATOM     34  O   LIG    1       -1.204   3.664   1.892  0.00  0.00    -0.266 OA
ATOM     35  N   LIG    1       -0.384   2.815  -0.051  0.00  0.00    -0.243 N 
ATOM     36  H   LIG    1        0.519   3.239   0.139  0.00  0.00    +0.192 HD
ATOM     37  N   LIG    1       -0.480   2.076  -1.187  0.00  0.00    -0.175 NA
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 8