REMARK  Name = BDB021387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059   0.313   1.108  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        3.657   0.922   0.021  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        4.256  -0.440   0.355  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        3.457  -1.408   0.998  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        3.989  -2.659   1.347  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        5.321  -2.961   1.069  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        6.122  -2.006   0.454  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1        7.936  -2.401   0.091  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        2.036  -1.129   1.346  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.382  -1.937   2.003  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1        1.488   0.061   0.881  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        5.604  -0.756   0.105  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.143   0.764  -0.213  0.00  0.00    +0.116 C 
BRANCH   2  15
ATOM     14  C   LIG    1        3.713   2.982  -1.532  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        4.330   1.635  -1.175  0.00  0.00    +0.006 C 
ENDBRANCH   2  15
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.864  -0.377   0.078  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.375  -0.099   0.340  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1       -2.708   1.343   0.332  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1       -2.141   1.845   1.010  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -4.113   1.549   0.714  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -5.095   0.710  -0.062  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.680  -0.463  -0.711  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -5.617  -1.248  -1.397  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.963  -0.882  -1.419  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.381   0.271  -0.760  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.453   1.062  -0.082  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.221  -0.845  -0.723  0.00  0.00    +0.056 C 
ENDBRANCH  16  17
BRANCH  16  28
ATOM     28  O   LIG    1       -0.655  -1.800   0.077  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -0.142  -2.037   0.879  0.00  0.00    +0.210 HD
ENDBRANCH  16  28
ENDBRANCH   1  16
TORSDOF 5