REMARK  Name = BDB011193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.069  -1.875  -0.476  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.783  -1.689   0.072  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -2.365  -2.495   1.068  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -1.099  -2.389   1.515  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.221  -1.420   1.077  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.663  -0.478   0.166  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.198   0.644  -0.062  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1        1.571   0.584   0.230  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.293   1.558  -0.004  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.042  -0.575   0.865  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.168  -1.431   1.534  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        1.446  -2.231   2.424  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.938  -0.677  -0.455  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.386   0.005  -1.614  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.652  -0.201  -2.156  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.503  -1.126  -1.574  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.478  -0.727   1.024  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.067  -1.288   2.167  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.455  -1.438   2.263  0.00  0.00    +0.043 A 
ATOM     20 CL   LIG    1        6.144  -2.113   3.690  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        6.289  -1.040   1.224  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.731  -0.486   0.079  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.343  -0.334  -0.018  0.00  0.00    +0.026 A 
ENDBRANCH  10  17
BRANCH   7  24
ATOM     24  C   LIG    1       -0.396   1.988  -0.274  0.00  0.00    +0.107 C 
ATOM     25  C   LIG    1       -0.166   2.987   0.881  0.00  0.00    +0.106 C 
ATOM     26  N   LIG    1       -0.177   4.295   0.219  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1        0.290   4.989   0.803  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        0.585   4.081  -1.012  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1        0.105   2.729  -1.522  0.00  0.00    +0.041 C 
ENDBRANCH   7  24
BRANCH   1  31
ATOM     30  C   LIG    1       -6.153  -3.063  -0.362  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.838  -2.848   0.128  0.00  0.00    -0.493 OA
ENDBRANCH   1  31
TORSDOF 3