REMARK  Name = BDB026752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.788   3.635   1.155  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.156   2.416   0.679  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.876   1.144   0.869  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.919  -0.073   0.697  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1       -0.262  -0.010  -0.577  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        0.508   1.179  -0.728  0.00  0.00    +0.206 C 
ATOM      7  C   LIG    1       -0.119   2.514  -0.244  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.333   3.594  -0.623  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -3.142   1.078   0.013  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -4.380   0.820   0.632  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -5.554   0.738  -0.121  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.505   0.916  -1.501  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.949   0.815  -2.429  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.292   1.174  -2.133  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.117   1.253  -1.380  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -1.595  -1.422   0.882  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -2.045  -2.178  -0.212  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -2.692  -3.401  -0.018  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.893  -3.879   1.274  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -3.690  -5.384   1.515  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -2.452  -3.146   2.373  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.808  -1.921   2.179  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        1.900   1.027  -0.089  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.637  -0.215  -0.604  0.00  0.00    +0.087 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.940  -0.409   0.057  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1        4.472  -1.755  -0.263  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        5.858  -1.979   0.359  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        6.792  -0.990  -0.093  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        6.320   0.318   0.252  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1        4.940   0.598  -0.367  0.00  0.00    +0.112 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5