REMARK  Name = BDB003297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.472  -1.798   0.043  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1       -0.469  -0.779  -0.235  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.845  -1.057  -0.344  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.760  -0.032  -0.645  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.338   1.292  -0.825  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -0.973   1.594  -0.727  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.370  -2.457  -0.172  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.390  -3.314   0.606  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.066   0.554  -0.436  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.004  -3.189  -0.012  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.274  -0.430   1.853  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        2.018  -0.629   1.391  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1        1.812  -1.628   0.487  0.00  0.00    +0.153 A 
ATOM     14  C   LIG    1        2.866  -2.457   0.004  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.154  -2.201   0.528  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        5.235  -2.979   0.091  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        5.039  -3.979  -0.849  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.761  -4.169  -1.326  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        2.696  -3.442  -0.923  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1        4.360  -1.183   1.461  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1        2.211   2.503   3.998  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        2.284   1.382   3.101  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.447   1.062   2.616  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.444   0.689   2.834  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        4.535   0.936   3.332  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1       -3.331   2.304  -1.117  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.127   2.307  -2.243  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -4.908   3.422  -2.149  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -5.902   3.870  -3.093  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -4.673   4.149  -1.042  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -3.719   3.461  -0.408  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -0.447   2.994  -0.915  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -0.703   3.791   0.161  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        0.906   3.046  -1.088  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4