REMARK  Name = BDB054927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.564   0.442  -0.361  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.223   0.359  -0.397  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -0.486   1.419  -0.826  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        0.143   2.594  -1.211  0.00  0.00    +0.076 A 
ATOM      5 BR   LIG    1       -0.788   4.130  -1.787  0.00  0.00    -0.045 Br
ATOM      6  C   LIG    1        1.516   2.586  -1.171  0.00  0.00    +0.133 A 
ATOM      7  N   LIG    1        2.241   1.529  -0.760  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        2.210  -0.685   0.146  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.492  -1.317   0.484  0.00  0.00    +0.155 HD
BRANCH   8  14
ATOM     10  C   LIG    1        7.090  -0.613   0.207  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        5.700  -0.968   0.362  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        5.377  -2.132   0.959  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1        4.040  -2.127   0.937  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        3.514  -0.970   0.324  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        4.619  -0.241  -0.040  0.00  0.00    +0.131 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1       -1.905   1.360  -0.762  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -2.257   1.861  -1.580  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.446  -0.015  -0.722  0.00  0.00    +0.091 C 
ATOM     19  C   LIG    1       -3.969   0.017  -1.085  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -4.613   0.293   0.275  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -3.980  -0.936   0.933  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1       -4.455  -1.980  -0.059  0.00  0.00    -0.027 C 
ATOM     23  C   LIG    1       -4.443  -1.408  -1.273  0.00  0.00    -0.026 C 
ATOM     24  C   LIG    1       -2.465  -0.717   0.678  0.00  0.00    +0.102 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.809  -0.055   1.875  0.00  0.00    +0.216 C 
ATOM     26  O   LIG    1       -1.132  -0.689   2.684  0.00  0.00    -0.276 OA
ATOM     27  N   LIG    1       -2.069   1.263   2.093  0.00  0.00    -0.329 N 
ATOM     28  H   LIG    1       -1.505   1.674   2.826  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.169   1.829   1.254  0.00  0.00    +0.145 HD
ENDBRANCH  24  25
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5