REMARK  Name = BDB020636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.323   0.623   1.221  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.990  -0.038   1.248  0.00  0.00    +0.000 A 
ATOM      3  C   LIG    1       -1.042  -1.460   1.737  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1       -2.091   0.677   0.897  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1       -1.913   2.050   0.558  0.00  0.00    -0.303 N 
ATOM      6  C   LIG    1       -0.674   2.693   0.565  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -0.849   4.012   0.200  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -2.221   4.180  -0.042  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1       -3.012   5.792  -0.573  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1       -2.857   2.986   0.177  0.00  0.00    +0.108 A 
ATOM     11  C   LIG    1        0.468   1.927   0.915  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        1.898  -1.040   0.547  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.256  -1.190  -0.219  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.598  -0.096   1.499  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        2.303   0.183   2.459  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        3.093  -1.853   0.620  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1        8.215   0.570  -0.716  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1        6.854  -0.006  -0.483  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1        6.755  -1.032   0.420  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        7.581  -1.385   0.885  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.585  -1.666   0.751  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        5.585  -2.623   1.520  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        4.324  -1.155   0.103  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.444  -0.177  -0.827  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        3.326   0.377  -1.665  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.745   0.420  -1.103  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  N   LIG    1       -3.385   0.131   0.862  0.00  0.00    -0.316 N 
ATOM     28  C   LIG    1       -4.325   0.401   1.951  0.00  0.00    +0.131 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.878  -0.551  -0.357  0.00  0.00    +0.079 C 
ATOM     30  C   LIG    1       -4.040  -2.059  -0.116  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1       -5.118  -2.659  -1.011  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1       -5.125  -1.998  -2.271  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -5.589  -0.650  -2.185  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1       -5.173   0.053  -0.894  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5