REMARK  Name = BDB019549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.656   1.308   0.095  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.394   1.526   0.662  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.490   0.459   0.844  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.115  -0.844   0.501  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.141  -1.086  -0.070  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.010  -0.001  -0.277  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.042   1.715   1.876  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.719   2.626   0.723  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.594   2.419  -0.099  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.393   3.330  -1.140  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -3.200   4.380  -1.420  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -4.271   4.541  -0.620  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -4.570   3.704   0.444  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.800   0.723   1.475  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.949   0.299   0.853  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        3.769   0.623   1.354  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.852   1.325   2.542  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.100   0.111  -0.575  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.507  -0.306  -0.912  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        4.921  -1.631  -0.703  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        6.232  -2.025  -0.997  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        6.654  -3.676  -0.717  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        7.143  -1.091  -1.498  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        8.775  -1.502  -1.886  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.740   0.233  -1.698  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.431   0.624  -1.405  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -1.572  -2.489  -0.418  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.511  -3.012   0.558  0.00  0.00    -0.332 N 
ATOM     29  C   LIG    1       -3.862  -3.117   0.390  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1       -4.436  -3.652   1.444  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -3.414  -3.908   2.321  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1       -2.205  -3.527   1.788  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6