REMARK  Name = BDB058623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.011  -0.385   0.788  0.00  0.00    -0.069 NA
ATOM      2  C   LIG    1       -1.895  -0.431   0.138  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -1.165  -1.655  -0.162  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.022  -1.288  -0.875  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.870  -2.253  -1.302  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.586  -3.591  -0.993  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.572  -3.938  -0.270  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -0.878  -5.593   0.087  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1        0.027   0.105  -1.050  0.00  0.00    -0.261 N 
ATOM     10  C   LIG    1       -1.471  -2.964   0.157  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -1.072   0.716  -0.465  0.00  0.00    +0.273 C 
ATOM     12  O   LIG    1       -1.345   1.896  -0.411  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -3.465   0.938   0.919  0.00  0.00    -0.317 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.099   2.398   1.730  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1       -4.651   0.972   1.608  0.00  0.00    +0.333 C 
ATOM     16  O   LIG    1       -5.274   0.021   2.064  0.00  0.00    -0.249 OA
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        1.083   0.828  -1.728  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.331   0.990  -0.885  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.610   0.608  -1.328  0.00  0.00    +0.046 A 
ATOM     20 CL   LIG    1        3.881  -0.087  -2.886  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.732   0.789  -0.510  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.601   1.364   0.754  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.346   1.766   1.196  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        3.178   2.489   2.747  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        2.223   1.590   0.387  0.00  0.00    +0.026 A 
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 4