REMARK  Name = BDB055510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.027  -1.303   0.700  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.799  -2.492  -0.048  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.570  -2.568  -0.326  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.103  -3.692  -0.997  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.231  -4.692  -1.435  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        1.133  -4.614  -1.194  0.00  0.00    +0.021 A 
ATOM      7 CL   LIG    1       -0.867  -6.057  -2.272  0.00  0.00    -0.083 Cl
ATOM      8  N   LIG    1       -1.181  -1.457   0.267  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        1.655  -3.526  -0.491  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.188  -0.651   0.832  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        2.838  -1.593   2.133  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        2.295  -0.888   1.283  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1        2.879   0.289   0.829  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1        4.132   0.719   1.449  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        4.452   2.192   1.149  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1        4.525   2.519  -0.286  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1        4.257   3.495  -0.410  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        3.657   1.655  -1.102  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1        2.458   1.042  -0.354  0.00  0.00    +0.123 C 
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -2.589  -1.214   0.319  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -3.172  -0.733   1.499  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.545  -0.488   1.552  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.340  -0.718   0.430  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.764  -1.189  -0.748  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.391  -1.437  -0.807  0.00  0.00    +0.026 A 
ENDBRANCH   8  20
BRANCH  10  26
ATOM     26  O   LIG    1       -0.435   0.511   1.448  0.00  0.00    -0.439 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -0.950   1.608   0.790  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1       -1.062   1.729  -0.598  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -1.588   2.897  -1.156  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.994   3.946  -0.332  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.873   3.832   1.052  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.349   2.665   1.611  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 4