REMARK  Name = BDB064402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.268   0.234   0.591  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.967  -0.766  -0.310  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.141  -0.612  -1.294  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.855   0.233   1.748  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   9
ATOM      5  O   LIG    1       -4.184   2.617   2.542  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -3.724   2.094   1.544  0.00  0.00    +0.214 C 
ATOM      7  N   LIG    1       -2.478   2.349   1.012  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1       -1.801   2.811   1.609  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.121   1.381   0.008  0.00  0.00    +0.159 C 
ATOM     10  C   LIG    1       -3.476   0.919  -0.510  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -4.391   1.031   0.709  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1       -0.086  -1.859   0.040  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.329  -1.560  -0.387  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        2.147  -0.741   0.406  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        3.443  -0.439  -0.019  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        3.950  -0.954  -1.214  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        3.139  -1.766  -2.004  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        1.835  -2.063  -1.596  0.00  0.00    +0.005 A 
BRANCH  15  19
ATOM     19  S   LIG    1        4.474   0.580   0.992  0.00  0.00    +0.147 S 
ATOM     20  F   LIG    1        3.878   0.523   2.466  0.00  0.00    -0.056 F 
ATOM     21  O   LIG    1        4.302   1.946   0.545  0.00  0.00    -0.138 OA
ATOM     22  O   LIG    1        5.774  -0.053   1.077  0.00  0.00    -0.138 OA
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4