REMARK  Name = BDB028440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.997  -2.143   0.330  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.518  -3.406   0.139  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.697  -3.769  -0.616  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.822  -4.379   0.755  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.145  -3.722   1.395  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.102  -2.331   1.161  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        0.968  -1.285   1.675  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.522  -0.323   0.818  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.330   0.701   1.327  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.595   0.752   2.692  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.436   1.838   3.220  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        3.890   2.752   2.301  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.468   3.511   2.649  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        3.645   2.736   0.963  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.712   1.913   4.412  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.061  -0.211   3.555  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        2.917   1.770   0.481  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.250  -1.227   3.046  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.656   1.779  -1.023  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.298   2.272  -1.271  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        1.239   3.225  -0.905  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        1.164   2.359  -2.278  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1       -1.956   0.432  -2.243  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -1.460  -0.722  -1.631  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -1.575  -0.921  -0.245  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -2.202   0.062   0.543  0.00  0.00    +0.079 A 
ATOM     27  C   LIG    1       -2.693   1.220  -0.077  0.00  0.00    +0.062 A 
ATOM     28 CL   LIG    1       -3.478   2.478   0.818  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -2.573   1.403  -1.461  0.00  0.00    +0.067 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -2.249   1.641  -4.272  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -1.770   0.484  -3.596  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
BRANCH  26  32
ATOM     32  C   LIG    1       -2.353  -0.121   1.960  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -2.483  -0.280   3.103  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH   1  25
TORSDOF 6