REMARK  Name = BDB012550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097   0.966   0.887  0.00  0.00    +0.159 C 
ATOM      2  N   LIG    1        1.223   0.831   0.177  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        1.546   2.014  -0.562  0.00  0.00    +0.254 C 
ATOM      4  O   LIG    1        2.520   2.264  -1.252  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        0.468   2.933  -0.319  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        0.022   4.223  -0.621  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.189   4.373   0.042  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1       -1.471   3.207   0.727  0.00  0.00    -0.351 N 
ATOM      9  C   LIG    1       -2.649   2.963   1.522  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1       -0.450   2.348   0.498  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        2.049  -0.293   0.280  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.152  -0.475  -0.474  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.960  -1.600  -0.379  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        5.117  -1.689  -1.258  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        3.691  -2.648   0.502  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        4.379  -3.662   0.591  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.482  -2.450   1.359  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        2.085  -3.669   2.511  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        1.736  -1.343   1.240  0.00  0.00    +0.050 A 
ENDBRANCH   2  11
BRANCH   1  24
ATOM     20  C   LIG    1       -4.195  -2.882  -0.706  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -3.124  -1.913  -0.301  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -2.936  -1.586   1.045  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.957  -0.662   1.420  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.147  -0.042   0.454  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -1.360  -0.356  -0.897  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -2.340  -1.280  -1.270  0.00  0.00    +0.004 A 
ENDBRANCH   1  24
TORSDOF 2