REMARK  Name = BDB040651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.617  -0.094   0.172  0.00  0.00    -0.177 N 
ATOM      2  C   LIG    1       -1.239   0.001   0.387  0.00  0.00    +0.271 C 
ATOM      3  O   LIG    1       -0.704   0.913   1.014  0.00  0.00    -0.268 OA
ATOM      4  C   LIG    1       -0.408  -1.122  -0.168  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.056  -2.179  -0.840  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -0.277  -3.230  -1.297  0.00  0.00    +0.115 A 
ATOM      7  N   LIG    1        1.058  -3.288  -1.149  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        1.651  -2.247  -0.513  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1       -2.546  -2.204  -1.024  0.00  0.00    +0.059 C 
ATOM     10  C   LIG    1        0.994  -1.125  -0.012  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.098  -0.788  -1.005  0.00  0.00    +0.145 C 
ENDROOT
BRANCH  10  12
ATOM     12  N   LIG    1        1.680  -0.060   0.601  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1        1.055   0.583   1.109  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.974   0.473   0.443  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        3.490   1.308   1.451  0.00  0.00    +0.145 A 
ATOM     16  F   LIG    1        2.724   1.610   2.512  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        4.776   1.838   1.393  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        5.585   1.530   0.305  0.00  0.00    +0.016 A 
ATOM     19  I   LIG    1        7.507   2.306   0.191  0.00  0.00    -0.044 I 
ATOM     20  C   LIG    1        5.107   0.704  -0.712  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        3.810   0.177  -0.638  0.00  0.00    +0.027 A 
ENDBRANCH  12  14
ENDBRANCH  10  12
BRANCH   1  22
ATOM     22  O   LIG    1       -3.254   1.176   0.278  0.00  0.00    -0.277 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -4.611   2.585   1.647  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -3.927   1.236   1.538  0.00  0.00    +0.187 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4