REMARK  Name = BDB012551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.854   1.705  -0.631  0.00  0.00    +0.148 C 
ATOM      2  N   LIG    1       -2.651   2.312  -0.116  0.00  0.00    -0.351 N 
ATOM      3  C   LIG    1       -1.404   1.786  -0.122  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.764   0.534  -0.581  0.00  0.00    +0.159 C 
ATOM      5  N   LIG    1        0.661   0.821  -0.195  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.786   2.090   0.455  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        1.774   2.645   0.905  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.536   2.655   0.466  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -1.254   3.786   0.863  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -2.572   3.551   0.490  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.731  -0.031  -0.490  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.977   0.150  -0.007  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.033  -0.707  -0.290  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        5.331  -0.416   0.302  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        3.889  -1.839  -1.094  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        4.802  -2.623  -1.343  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.517  -2.039  -1.653  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        2.243  -3.385  -2.694  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        1.530  -1.181  -1.361  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -1.357  -0.695   0.090  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -2.147  -1.585  -0.661  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.712  -2.713  -0.063  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.497  -2.953   1.289  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -3.043  -4.033   1.861  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -1.729  -2.086   2.055  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -1.162  -0.958   1.459  0.00  0.00    +0.008 A 
ENDBRANCH   4  20
TORSDOF 2