REMARK  Name = BDB012513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.736  -3.483  -1.726  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.258  -2.572  -0.658  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.016  -1.920  -0.597  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.773  -1.761  -1.309  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1       -0.005  -0.887  -0.512  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1       -0.708  -0.431   0.719  0.00  0.00    +0.161 C 
ATOM      7  O   LIG    1       -0.507  -2.313  -2.363  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.975  -1.179   0.546  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1       -3.136  -1.321   1.224  0.00  0.00    -0.351 N 
ATOM     10  C   LIG    1       -3.494  -0.692   2.471  0.00  0.00    +0.148 C 
ATOM     11  C   LIG    1       -3.937  -2.178   0.494  0.00  0.00    +0.089 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.349  -0.533  -0.719  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        1.936   0.180   0.275  0.00  0.00    -0.211 NA
ATOM     14  C   LIG    1        3.215   0.514   0.029  0.00  0.00    +0.180 A 
ATOM     15  C   LIG    1        3.980   0.203  -1.082  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        5.236   0.730  -0.934  0.00  0.00    -0.128 NA
ATOM     17  N   LIG    1        5.281   1.369   0.231  0.00  0.00    -0.063 NA
ATOM     18  C   LIG    1        3.382  -0.545  -2.102  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.082  -0.953  -3.361  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1        4.067   1.244   0.806  0.00  0.00    -0.230 N 
ATOM     21  C   LIG    1        3.803   1.854   2.078  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1        2.032  -0.902  -1.887  0.00  0.00    +0.049 A 
ENDBRANCH   5  12
BRANCH   6  23
ATOM     23  C   LIG    1       -0.930   1.072   0.799  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -0.608   1.758   1.983  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -0.810   3.136   2.086  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.339   3.841   1.007  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -1.588   5.538   1.137  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -1.667   3.180  -0.173  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.465   1.802  -0.277  0.00  0.00    +0.007 A 
ENDBRANCH   6  23
TORSDOF 2