REMARK  Name = BDB016832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.362  -0.850   0.653  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.681  -0.274  -0.260  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.893  -0.615   0.507  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.627  -1.231   1.685  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.762  -1.505   2.366  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.742  -1.046   1.591  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -5.180  -1.135   1.953  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -3.242  -0.494   0.412  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1       -0.204  -1.407   1.842  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.344  -1.943   2.792  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.538  -0.562  -1.369  0.00  0.00    +0.151 A 
ATOM     12  C   LIG    1        4.497  -0.951  -0.417  0.00  0.00    +0.154 A 
ATOM     13  N   LIG    1        5.864  -1.071  -0.474  0.00  0.00    -0.126 NA
ATOM     14  N   LIG    1        6.301  -1.475   0.710  0.00  0.00    -0.065 NA
ATOM     15  N   LIG    1        5.228  -1.622   1.506  0.00  0.00    -0.247 N 
ATOM     16  C   LIG    1        5.399  -2.057   2.867  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        4.066  -1.300   0.857  0.00  0.00    +0.094 A 
ATOM     18  C   LIG    1        2.718  -1.278   1.250  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        1.750  -0.890   0.309  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        2.182  -0.542  -0.983  0.00  0.00    +0.071 A 
BRANCH  11  22
ATOM     21  C   LIG    1        5.121  -0.161  -3.101  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        3.758  -0.187  -2.690  0.00  0.00    -0.493 OA
ENDBRANCH  11  22
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -0.544   1.224  -0.482  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -0.321   2.114   0.584  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -0.220   3.489   0.359  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.343   3.990  -0.934  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -0.223   5.683  -1.211  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -0.567   3.127  -2.004  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -0.669   1.752  -1.780  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   8  30
ATOM     30  C   LIG    1       -3.957   0.112  -0.705  0.00  0.00    +0.083 C 
ATOM     31  C   LIG    1       -5.066  -0.766  -1.282  0.00  0.00    +0.030 C 
ATOM     32  C   LIG    1       -4.455   1.518  -0.374  0.00  0.00    +0.030 C 
ENDBRANCH   8  30
TORSDOF 4