REMARK  Name = BDB016788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.344  -0.562  -0.387  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.195  -0.222   0.526  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        0.937  -0.600  -0.338  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.555  -1.034  -1.562  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        1.621  -1.359  -2.326  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        2.680  -1.100  -1.565  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1        2.297  -0.656  -0.295  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1       -0.881  -1.028  -1.664  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1       -1.527  -1.375  -2.641  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1       -4.618   0.207   3.280  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -4.332  -0.087   1.829  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -5.378  -0.267   0.871  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1       -5.026  -0.548  -0.434  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -6.221  -0.675  -1.109  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1       -7.218  -0.480  -0.268  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -6.334  -0.982  -2.552  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1       -3.710  -0.655  -0.872  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1       -2.687  -0.482  -0.010  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1       -6.689  -0.225   0.975  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1       -3.054  -0.199   1.389  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.143   1.243   0.931  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1        0.130   1.589   2.266  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.203   2.929   2.656  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.007   3.937   1.714  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        0.102   5.585   2.196  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.260   3.616   0.387  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.333   2.277  -0.004  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   6  28
ATOM     28  C   LIG    1        4.032  -1.274  -1.927  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        4.791  -2.541  -2.117  0.00  0.00    +0.198 C 
ATOM     30  O   LIG    1        6.147  -2.137  -2.385  0.00  0.00    -0.371 OA
ATOM     31  C   LIG    1        6.123  -0.748  -2.754  0.00  0.00    +0.188 C 
ATOM     32  C   LIG    1        4.793  -0.253  -2.330  0.00  0.00    +0.010 C 
ENDBRANCH   6  28
BRANCH   7  33
ATOM     33  C   LIG    1        3.100  -0.329   0.879  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1        3.743   1.054   0.790  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        4.111  -1.405   1.277  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 4