REMARK  Name = BDB006795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.569   0.085  -0.567  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.870   1.050  -0.562  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.480  -0.914  -0.292  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.160  -2.070  -0.035  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.915  -0.518  -0.279  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.398   0.538  -1.061  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        5.754   0.864  -1.011  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        6.410   2.292  -2.064  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        6.632   0.146  -0.200  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.154  -0.916   0.566  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.800  -1.251   0.523  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.140  -0.165  -0.530  0.00  0.00    +0.107 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.402  -0.130   0.897  0.00  0.00    +0.047 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.894  -0.440   0.939  0.00  0.00    +0.162 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.590   0.572   0.217  0.00  0.00    -0.374 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -4.711   0.376   1.447  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -4.011   0.420   0.084  0.00  0.00    +0.061 C 
ATOM     18  C   LIG    1       -4.476   1.674  -0.671  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.364  -0.816  -0.752  0.00  0.00    +0.041 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6