REMARK  Name = BDB032596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.377   1.506  -1.349  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.322   2.519  -1.392  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.276   0.752  -0.986  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.278  -0.572  -0.839  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.005  -0.913  -0.455  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.775   0.210  -0.365  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -0.992   1.295  -0.692  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.165   0.021   0.035  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.031   1.121   0.145  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -5.365   0.951   0.529  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.854  -0.323   0.807  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.011  -1.425   0.703  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.677  -1.254   0.319  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        3.698   2.027  -2.060  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.840   0.879  -1.841  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        2.634  -0.095  -2.889  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.456   0.055  -0.393  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        3.416  -1.341  -0.320  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        3.928  -1.970   0.808  0.00  0.00    +0.160 A 
ATOM     20  F   LIG    1        3.887  -3.306   0.891  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1        4.484  -1.224   1.844  0.00  0.00    +0.159 A 
ATOM     22  F   LIG    1        4.977  -1.838   2.928  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        4.540   0.166   1.766  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        4.028   0.813   0.639  0.00  0.00    +0.032 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4