REMARK  Name = BDB028327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.425   0.452  -0.158  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.215  -0.412  -0.230  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.180  -1.381  -1.230  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.064  -2.214  -1.381  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.025  -2.078  -0.521  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.005  -1.119   0.497  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        3.338  -1.534  -2.123  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1        3.345  -2.368  -3.021  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        4.400  -0.698  -1.883  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1        5.210  -0.789  -2.488  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        1.130  -0.296   0.649  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1        4.453   0.280  -0.940  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.123  -0.956   1.390  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -2.396  -0.551   1.008  0.00  0.00    +0.078 A 
ATOM     15  N   LIG    1       -3.114  -0.493   2.184  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1       -4.490  -0.083   2.356  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1       -2.407  -0.854   3.271  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -1.190  -1.110   2.790  0.00  0.00    +0.143 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -2.940  -0.209  -0.311  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -2.547   0.948  -1.016  0.00  0.00    +0.079 A 
ATOM     21  C   LIG    1       -3.098   1.199  -2.282  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1       -2.673   2.595  -3.211  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -4.025   0.315  -2.843  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -4.410  -0.829  -2.148  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.870  -1.090  -0.891  0.00  0.00    +0.011 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -1.598   1.865  -0.447  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -0.825   2.599   0.015  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  14  19
ENDBRANCH   6  13
BRANCH   1  29
ATOM     28  C   LIG    1        4.487   2.675   0.528  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1        3.487   1.579   0.894  0.00  0.00    +0.099 C 
BRANCH  29  30
ATOM     30  N   LIG    1        3.853   0.972   2.184  0.00  0.00    -0.323 NA
ATOM     31  H   LIG    1        4.782   0.556   2.088  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1        3.960   1.712   2.878  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5