REMARK  Name = BDB012532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.691  -0.390  -1.264  0.00  0.00    +0.068 A 
ATOM      2  N   LIG    1        1.989  -0.253  -0.062  0.00  0.00    -0.343 N 
ATOM      3  C   LIG    1        2.526  -0.449   1.266  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        0.705   0.076  -0.362  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.545   0.355   0.380  0.00  0.00    +0.159 C 
ATOM      6  N   LIG    1       -1.448   0.727  -0.768  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -0.780   0.595  -2.023  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -1.178   0.791  -3.159  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.563   0.194  -1.707  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        1.790  -0.104  -2.298  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.752   1.200  -0.584  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.246   1.519   0.630  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.531   2.001   0.819  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -4.997   2.289   2.165  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.436   2.155  -0.228  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.594   2.537  -0.082  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.914   1.815  -1.585  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.858   1.985  -2.731  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.652   1.371  -1.716  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.042  -0.850   1.169  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.073  -0.804   2.574  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.519  -1.901   3.315  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.937  -3.057   2.659  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.483  -4.407   3.573  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.911  -3.126   1.269  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.464  -2.029   0.528  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  29
ATOM     27  C   LIG    1        6.218  -0.649  -0.456  0.00  0.00    +0.215 A 
ATOM     28  N   LIG    1        4.905  -0.342  -0.366  0.00  0.00    -0.211 NA
ATOM     29  C   LIG    1        4.108  -0.762  -1.375  0.00  0.00    +0.091 A 
ATOM     30  C   LIG    1        4.586  -1.480  -2.468  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        5.942  -1.785  -2.530  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        6.777  -1.362  -1.504  0.00  0.00    +0.067 A 
BRANCH  27  34
ATOM     33  C   LIG    1        6.465   0.505   1.566  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        7.091  -0.256   0.540  0.00  0.00    -0.480 OA
ENDBRANCH  27  34
ENDBRANCH   1  29
TORSDOF 4