REMARK  Name = BDB055754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.093  -1.768  -0.336  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.031  -1.592  -1.192  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.400  -2.583  -2.105  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.664  -3.771  -2.157  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.428  -3.975  -1.306  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.798  -2.976  -0.402  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.035   0.124   1.681  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1       -2.262  -1.104   2.211  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.762  -1.014   1.935  0.00  0.00    +0.106 C 
ATOM     10  N   LIG    1       -0.460  -0.725   0.527  0.00  0.00    -0.328 N 
ATOM     11  C   LIG    1       -1.232   0.368  -0.088  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.727   0.202   0.170  0.00  0.00    +0.038 C 
BRANCH   7  14
ATOM     13  C   LIG    1       -2.992   1.274   3.852  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -2.729   1.386   2.411  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -3.497   2.525   1.890  0.00  0.00    +0.104 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  N   LIG    1        1.750  -0.389  -1.012  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        1.385   0.160  -0.236  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        2.868   0.058  -1.674  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        3.422  -0.501  -2.614  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.392   1.385  -1.241  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        3.445   1.831   0.087  0.00  0.00    +0.053 A 
ATOM     22 CL   LIG    1        2.957   0.872   1.440  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        3.949   3.107   0.375  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        4.409   3.937  -0.649  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.376   3.493  -1.968  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.874   2.224  -2.262  0.00  0.00    +0.014 A 
ENDBRANCH  18  20
ENDBRANCH   2  16
BRANCH   4  27
ATOM     27  N   LIG    1        1.042  -4.824  -3.108  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        0.427  -5.899  -3.047  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        1.945  -4.581  -3.920  0.00  0.00    -0.126 OA
ENDBRANCH   4  27
TORSDOF 5