REMARK  Name = BDB003672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.305   0.404  -3.223  0.00  0.00    +0.234 C 
ATOM      2  C   LIG    1        1.519  -0.823  -3.717  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1        1.725  -1.355  -4.807  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.429  -1.329  -2.813  0.00  0.00    +0.073 C 
ATOM      5 BR   LIG    1        0.088  -3.169  -2.905  0.00  0.00    -0.046 Br
ATOM      6  C   LIG    1       -0.239  -0.435  -2.051  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.102   0.996  -2.107  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.641   1.871  -1.407  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.732   1.507  -0.604  0.00  0.00    -0.346 N 
ATOM     10  C   LIG    1       -2.043   0.133  -0.501  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -1.354  -0.821  -1.169  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        1.293   1.484  -2.862  0.00  0.00    +0.216 C 
ATOM     13  O   LIG    1        1.447   2.679  -3.107  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.273   0.926  -4.288  0.00  0.00    +0.073 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -3.163  -0.321   0.341  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -2.943  -0.716   1.664  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -4.010  -1.156   2.451  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -5.304  -1.218   1.927  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -5.526  -0.833   0.605  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.459  -0.389  -0.185  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -6.253  -1.667   2.804  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -7.585  -1.764   2.317  0.00  0.00    +0.277 C 
ENDBRANCH  18  21
ENDBRANCH  10  15
BRANCH   1  23
ATOM     23  O   LIG    1        3.007   0.230  -1.969  0.00  0.00    -0.442 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.847  -0.829  -1.841  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1        4.011  -1.695  -2.683  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  C   LIG    1        4.523  -0.779  -0.497  0.00  0.00    +0.132 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.439  -1.976  -0.297  0.00  0.00    +0.132 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.082  -1.896   1.059  0.00  0.00    +0.307 C 
ATOM     29  O   LIG    1        6.864  -1.016   1.393  0.00  0.00    -0.251 OA
BRANCH  28  31
ATOM     30  C   LIG    1        6.214  -2.901   3.168  0.00  0.00    +0.280 C 
ATOM     31  O   LIG    1        5.650  -2.910   1.856  0.00  0.00    -0.468 OA
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
BRANCH   9  32
ATOM     32  C   LIG    1       -2.446   2.554   0.155  0.00  0.00    +0.125 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -1.732   2.846   1.445  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -0.656   3.902   1.526  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -1.990   4.139   2.179  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH   9  32
TORSDOF 10