REMARK  Name = BDB028726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424   0.549  -0.796  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.609   0.687  -0.058  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.645  -0.244  -0.205  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.488  -1.313  -1.084  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.568  -2.304  -1.211  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.673  -2.099  -0.422  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.428  -2.775  -0.494  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.865  -1.061   0.436  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.475  -3.256  -1.977  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.314  -1.453  -1.833  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.924  -0.167   0.545  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.286  -0.520  -1.691  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.951   2.721   0.171  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        2.583   2.452  -0.210  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        1.953   1.226  -0.274  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        0.642   1.517  -0.630  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        0.604   2.921  -0.766  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        1.783   3.491  -0.523  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        2.601  -0.046   0.041  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.634  -0.537  -0.765  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        4.244  -1.762  -0.467  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        5.514  -2.297  -1.509  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.818  -2.503   0.640  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        4.526  -4.019   1.068  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        2.783  -2.018   1.443  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        2.177  -0.796   1.144  0.00  0.00    +0.011 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  27
ATOM     27  C   LIG    1       -4.176   0.994   1.503  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.447   0.752   2.750  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -3.703   1.475   3.424  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -3.790  -0.123   3.153  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 4