REMARK  Name = BDB020638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.106  -0.110   0.766  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1       -3.007  -1.177   1.050  0.00  0.00    -0.303 N 
ATOM      3  C   LIG    1       -2.609  -2.497   1.263  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.724  -3.266   1.527  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -4.830  -2.403   1.455  0.00  0.00    +0.036 A 
ATOM      6 BR   LIG    1       -6.605  -2.937   1.719  0.00  0.00    -0.049 Br
ATOM      7  C   LIG    1       -1.224  -2.791   1.171  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.357  -1.803   0.876  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -4.387  -1.142   1.156  0.00  0.00    +0.108 A 
ATOM     10  C   LIG    1       -0.781  -0.408   0.674  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        0.308   0.598   0.413  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.063  -2.230   0.758  0.00  0.00    +0.245 C 
ATOM     13  N   LIG    1        1.488  -2.317  -0.542  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        0.867  -2.032  -1.293  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        1.750  -2.470   1.742  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.869  -2.554  -0.892  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.555  -1.235  -1.101  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.194  -0.543  -2.383  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1        2.362  -1.005  -3.159  0.00  0.00    -0.268 OA
ATOM     20  N   LIG    1        3.824   0.647  -2.641  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        3.568   1.093  -3.513  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        4.735   1.240  -1.803  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        5.319   2.546  -2.244  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        5.050   0.633  -0.650  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.452  -0.643  -0.280  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        4.915  -1.183   1.045  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   8  12
BRANCH   1  27
ATOM     27  N   LIG    1       -2.672   1.171   0.598  0.00  0.00    -0.309 N 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.672   1.779  -0.733  0.00  0.00    +0.126 C 
ATOM     29  C   LIG    1       -3.935   2.601  -1.046  0.00  0.00    +0.184 C 
ATOM     30  O   LIG    1       -4.067   1.953  -2.341  0.00  0.00    -0.376 OA
ATOM     31  C   LIG    1       -3.179   0.892  -1.886  0.00  0.00    +0.184 C 
ENDBRANCH  27  28
BRANCH  27  33
ATOM     32  C   LIG    1       -3.717   1.998   2.680  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -2.552   2.138   1.715  0.00  0.00    +0.103 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 6