REMARK  Name = BDB052476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.390  -1.297   0.785  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -1.125  -0.872   0.449  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -0.887  -0.099  -0.151  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -0.205  -1.673   1.074  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -0.978  -2.576   1.781  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -0.456  -3.558   2.543  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.897  -3.579   2.550  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1        1.741  -2.700   1.862  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1        3.609  -2.974   2.057  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1        1.193  -1.674   1.072  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1       -2.311  -2.335   1.603  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -6.112   0.485  -0.575  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -4.868   0.901  -1.079  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.652   0.336  -0.656  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -3.630  -0.674   0.308  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -4.854  -1.094   0.830  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -6.063  -0.521   0.403  0.00  0.00    +0.024 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -7.347   1.754  -2.283  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -7.314   1.070  -0.991  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1       -8.579   0.478  -0.561  0.00  0.00    +0.129 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  21
ATOM     21  N   LIG    1        1.854  -0.712   0.330  0.00  0.00    -0.324 N 
ATOM     22  C   LIG    1        2.490   0.379   1.098  0.00  0.00    +0.124 C 
ATOM     23  C   LIG    1        3.098   1.418   0.133  0.00  0.00    +0.124 C 
ATOM     24  N   LIG    1        4.135   0.832  -0.748  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1        4.047  -0.641  -0.935  0.00  0.00    +0.124 C 
ATOM     26  C   LIG    1        2.594  -1.168  -0.870  0.00  0.00    +0.124 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.466   1.244  -0.570  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        6.009   1.598   0.672  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        7.350   1.980   0.793  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        8.173   2.011  -0.330  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.656   1.657  -1.571  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.317   1.274  -1.686  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  10  21
TORSDOF 4