REMARK  Name = BDB032642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.371   1.588  -1.284  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.293   2.600  -1.300  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.281   0.799  -0.963  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.311  -0.527  -0.851  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -0.970  -0.908  -0.500  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -1.767   0.195  -0.395  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -1.004   1.305  -0.678  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.160  -0.036  -0.026  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.053   1.040   0.097  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -5.389   0.829   0.451  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.853  -0.462   0.687  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.983  -1.542   0.569  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.647  -1.331   0.215  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1        3.694   2.180  -1.931  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1        2.858   1.008  -1.762  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        2.696   0.060  -2.841  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.462   0.156  -0.324  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1        3.442  -1.243  -0.288  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        3.941  -1.901   0.835  0.00  0.00    +0.078 A 
ATOM     20 CL   LIG    1        3.907  -3.621   0.894  0.00  0.00    -0.081 Cl
ATOM     21  C   LIG    1        4.466  -1.166   1.899  0.00  0.00    +0.142 A 
ATOM     22  F   LIG    1        4.952  -1.784   2.985  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.502   0.227   1.853  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        4.003   0.896   0.735  0.00  0.00    +0.032 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4