REMARK  Name = BDB028239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.809   0.714   0.872  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.465   0.193   1.229  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.320  -0.377   2.489  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.083  -0.881   2.900  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.986  -0.820   2.037  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.107  -0.262   0.753  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.486  -0.454   3.383  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.401  -0.943   4.504  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.663   0.048   2.885  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.480   0.001   3.486  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.362   0.244   0.363  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.837   0.625   1.665  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.046  -0.211  -0.160  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.287   0.301   0.245  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.363   0.333  -0.641  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.158  -0.122  -1.937  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        0.983  -0.631  -2.374  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1       -0.034  -0.664  -1.479  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.536   0.875  -0.175  0.00  0.00    -0.453 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.712   0.359  -0.670  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1        5.613   1.201  -1.329  0.00  0.00    +0.083 A 
ATOM     22 CL   LIG    1        5.254   2.868  -1.595  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        6.825   0.692  -1.799  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        7.143  -0.653  -1.598  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.254  -1.488  -0.920  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.042  -0.983  -0.448  0.00  0.00    +0.048 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -5.031   1.380  -0.483  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.113   0.348  -1.520  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.899  -0.267  -1.295  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.363   0.791  -2.404  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5