REMARK  Name = BDB032970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.453  -1.877  -1.004  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.270  -0.885  -0.137  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        0.291  -0.352   1.037  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.445   0.525   1.841  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.730   0.915   1.459  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -2.306   0.434   0.274  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1       -1.560  -0.466  -0.510  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -3.658   0.851  -0.133  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -3.990   2.211  -0.258  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.272   2.607  -0.646  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.247   1.649  -0.914  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.940   0.296  -0.795  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.656  -0.099  -0.408  0.00  0.00    +0.008 A 
ENDBRANCH   6   8
BRANCH   3  14
ATOM     14  C   LIG    1        1.667  -0.680   1.488  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        2.637  -0.326   0.580  0.00  0.00    -0.261 N 
ATOM     16  H   LIG    1        2.387   0.152  -0.273  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1        1.812  -1.171   2.597  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.965  -0.547   0.805  0.00  0.00    +0.167 A 
ATOM     19  S   LIG    1        4.983   0.021  -0.447  0.00  0.00    -0.028 S 
ATOM     20  C   LIG    1        6.324  -0.546   0.435  0.00  0.00    +0.185 A 
ATOM     21  C   LIG    1        5.925  -1.129   1.613  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1        4.556  -1.128   1.819  0.00  0.00    -0.231 NA
BRANCH  20  23
ATOM     23  N   LIG    1        7.659  -0.402  -0.046  0.00  0.00    +0.065 N 
ATOM     24  O   LIG    1        7.828   0.151  -1.140  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        8.556  -0.849   0.679  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   3  14
TORSDOF 4