REMARK  Name = BDB021389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.015   0.366   0.773  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        3.452   1.206  -0.544  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        4.151  -0.106  -0.256  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        3.488  -1.111   0.471  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        4.139  -2.316   0.764  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        5.447  -2.532   0.325  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        6.100  -1.542  -0.406  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1        7.870  -1.834  -1.005  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        2.082  -0.917   0.929  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.546  -1.741   1.667  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1        1.410   0.209   0.457  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        5.462  -0.336  -0.700  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.946   0.928  -0.693  0.00  0.00    +0.116 C 
BRANCH   2  15
ATOM     14  C   LIG    1        5.132   2.782   0.595  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        3.701   2.263   0.554  0.00  0.00    +0.006 C 
ENDBRANCH   2  15
ENDBRANCH   1  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.947  -0.438  -0.162  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.456  -0.243   0.176  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1       -2.886   1.171   0.110  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1       -2.317   1.748   0.724  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1       -4.278   1.308   0.565  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -5.243   0.363  -0.103  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.787  -0.816  -0.712  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -5.706  -1.698  -1.297  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.072  -1.423  -1.256  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.530  -0.263  -0.637  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.620   0.625  -0.060  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.308  -1.103  -0.792  0.00  0.00    +0.056 C 
ENDBRANCH  16  17
BRANCH  16  28
ATOM     28  O   LIG    1       -0.644  -1.843  -0.100  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -0.047  -1.998   0.663  0.00  0.00    +0.210 HD
ENDBRANCH  16  28
ENDBRANCH   1  16
TORSDOF 5