REMARK  Name = BDB039708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.151   0.258  -0.068  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.071   0.158  -1.118  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.798  -0.004  -2.078  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.502   0.374   1.097  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.811  -0.218  -0.287  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.641  -0.113   0.497  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        3.403  -0.020  -0.145  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.237  -0.012  -1.517  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        1.840   0.099  -1.744  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        1.229   0.149  -0.500  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        4.389  -0.101  -2.300  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1        4.306  -0.093  -3.638  0.00  0.00    -0.205 F 
ATOM     13  O   LIG    1        2.196   0.077   0.473  0.00  0.00    -0.450 OA
ATOM     14  C   LIG    1        5.647  -0.198  -1.687  0.00  0.00    +0.062 A 
BRANCH   5  16
ATOM     15  C   LIG    1        7.196  -0.519   1.742  0.00  0.00    +0.129 C 
ATOM     16  N   LIG    1        7.082  -0.297   0.300  0.00  0.00    -0.336 N 
ATOM     17  C   LIG    1        8.211  -0.766  -0.503  0.00  0.00    +0.129 C 
ENDBRANCH   5  16
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1       -2.680   0.555  -0.972  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1       -3.223   0.340  -2.298  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.728   1.851  -0.337  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.396  -0.691   0.076  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1       -4.588  -0.435   0.782  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -5.085  -1.451   1.623  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.435  -2.680   1.745  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.275  -2.927   1.020  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.757  -1.939   0.183  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -5.368   0.804   0.663  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.371   1.753   1.697  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.127   2.922   1.591  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.893   3.157   0.451  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.904   2.223  -0.583  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.148   1.054  -0.477  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 5