REMARK  Name = BDB064061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.911  -2.698   0.392  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.328  -1.261   0.234  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -1.374  -0.230   0.091  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -0.003  -0.486   0.022  0.00  0.00    -0.293 N 
ATOM      5  H   LIG    1        0.321  -1.347   0.439  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1        0.849   0.590  -0.024  0.00  0.00    +0.170 C 
ATOM      7  N   LIG    1        0.480   1.829  -0.170  0.00  0.00    -0.062 NA
ATOM      8  O   LIG    1       -0.899   2.108  -0.321  0.00  0.00    -0.349 OA
ATOM      9  C   LIG    1       -1.793   1.090  -0.096  0.00  0.00    +0.210 A 
ATOM     10  C   LIG    1       -3.157   1.375  -0.097  0.00  0.00    +0.173 A 
ATOM     11  C   LIG    1       -4.119   0.374   0.064  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.697  -0.944   0.229  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.320   0.333   0.120  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.147   1.327   0.661  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.518   1.099   0.808  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        5.062  -0.121   0.409  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        6.916  -0.431   0.607  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        4.250  -1.112  -0.141  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        2.878  -0.886  -0.289  0.00  0.00    +0.012 A 
ENDBRANCH   6  13
BRANCH  10  20
ATOM     20  N   LIG    1       -3.612   2.738  -0.273  0.00  0.00    +0.060 N 
ATOM     21  O   LIG    1       -3.232   3.580   0.550  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -4.396   2.948  -1.209  0.00  0.00    -0.126 OA
ENDBRANCH  10  20
TORSDOF 2