REMARK  Name = BDB014339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.504   4.651  -0.406  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.189   3.215  -0.610  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -2.011   2.113  -0.262  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -1.362   0.932  -0.627  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.009  -0.284  -0.396  0.00  0.00    +0.099 A 
ATOM      6  N   LIG    1       -3.224  -0.262   0.195  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -3.757   0.927   0.515  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -0.143   1.311  -1.155  0.00  0.00    -0.343 N 
ATOM      9  N   LIG    1       -3.229   2.147   0.320  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.049   2.685  -1.174  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.091   0.916   1.159  0.00  0.00    +0.220 A 
ATOM     12  N   LIG    1       -5.665   2.084   1.496  0.00  0.00    -0.269 N 
ATOM     13  H   LIG    1       -5.288   3.007   1.362  0.00  0.00    +0.174 HD
ATOM     14  C   LIG    1       -6.848   1.791   2.051  0.00  0.00    +0.440 A 
ATOM     15  O   LIG    1       -7.655   2.598   2.482  0.00  0.00    -0.221 OA
ATOM     16  O   LIG    1       -7.000   0.427   2.054  0.00  0.00    -0.295 OA
ATOM     17  N   LIG    1       -5.816  -0.114   1.455  0.00  0.00    -0.051 NA
ENDBRANCH   7  11
BRANCH   5  18
ATOM     18  C   LIG    1       -1.500  -1.603  -0.745  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -0.906  -2.420   0.229  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -0.424  -3.684  -0.108  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        0.339  -4.654   1.091  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -0.544  -4.164  -1.411  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.157  -3.376  -2.383  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.636  -2.106  -2.050  0.00  0.00    +0.010 A 
ENDBRANCH   5  18
BRANCH   8  25
ATOM     25  C   LIG    1        0.921   0.449  -1.651  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.827  -0.120  -0.545  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.724   0.960   0.082  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        3.665   0.373   1.135  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        4.512  -0.772   0.568  0.00  0.00    -0.014 C 
ATOM     30  C   LIG    1        5.401  -1.374   1.654  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        3.620  -1.848  -0.059  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        2.687  -1.258  -1.115  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 4