REMARK  Name = BDB012541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.023  -2.023  -0.810  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -3.549  -1.871  -0.672  0.00  0.00    +0.016 A 
ATOM      3  N   LIG    1       -2.896  -0.652  -0.803  0.00  0.00    -0.348 N 
ATOM      4  C   LIG    1       -3.513   0.623  -1.090  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.575  -0.874  -0.595  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -0.339  -0.064  -0.556  0.00  0.00    +0.159 C 
ATOM      7  N   LIG    1        0.671  -1.147  -0.276  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1        0.043  -2.425  -0.145  0.00  0.00    +0.254 C 
ATOM      9  O   LIG    1        0.530  -3.522   0.070  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.360  -2.194  -0.354  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -2.592  -2.848  -0.399  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.049  -0.908  -0.230  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.594   0.271  -0.596  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.958   0.521  -0.559  0.00  0.00    -0.315 N 
ATOM     15  C   LIG    1        4.433   1.831  -0.982  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.887  -0.437  -0.146  0.00  0.00    +0.270 A 
ATOM     17  O   LIG    1        6.100  -0.242  -0.124  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        4.295  -1.742   0.279  0.00  0.00    +0.107 A 
ATOM     19 CL   LIG    1        5.359  -2.974   0.844  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        2.970  -1.936   0.232  0.00  0.00    +0.050 A 
ENDBRANCH   7  12
BRANCH   6  21
ATOM     21  C   LIG    1       -0.390   1.024   0.506  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.392   0.717   1.878  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.451   1.732   2.837  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.513   3.062   2.433  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.588   4.313   3.612  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.520   3.388   1.079  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.461   2.374   0.119  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2