REMARK  Name = BDB035001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.404   0.062  -1.096  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        3.775  -0.987  -1.784  0.00  0.00    +0.059 A 
ATOM      3 BR   LIG    1        4.556  -1.784  -3.320  0.00  0.00    -0.047 Br
ATOM      4  C   LIG    1        2.535  -1.464  -1.357  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.010  -0.837  -0.230  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        2.690   0.195   0.408  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        1.902   0.619   1.504  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        0.755  -0.152   1.519  0.00  0.00    +0.036 A 
ATOM      9  N   LIG    1        0.841  -1.037   0.463  0.00  0.00    -0.355 N 
ATOM     10  H   LIG    1        0.115  -1.706   0.223  0.00  0.00    +0.166 HD
ATOM     11  N   LIG    1        3.891   0.662  -0.006  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        5.663   0.538  -1.482  0.00  0.00    -0.342 N 
ATOM     13  H   LIG    1        5.879   1.338  -0.894  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1        5.691   0.754  -2.472  0.00  0.00    +0.144 HD
ENDBRANCH   1  12
BRANCH   8  15
ATOM     15  C   LIG    1       -0.419  -0.161   2.426  0.00  0.00    +0.158 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.549   0.382   1.710  0.00  0.00    -0.305 N 
ATOM     17  H   LIG    1       -1.556   1.384   1.575  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -2.290  -0.411   0.846  0.00  0.00    +0.263 C 
ATOM     19  O   LIG    1       -2.063  -1.607   0.688  0.00  0.00    -0.269 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.358   0.287   0.062  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1       -3.551  -0.165  -1.197  0.00  0.00    -0.231 NA
ATOM     22  C   LIG    1       -4.508   0.457  -1.891  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1       -5.267   1.471  -1.448  0.00  0.00    -0.244 NA
ATOM     24  C   LIG    1       -5.039   1.876  -0.186  0.00  0.00    +0.115 A 
ATOM     25  C   LIG    1       -4.085   1.315   0.627  0.00  0.00    +0.053 A 
ENDBRANCH  18  20
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 4