REMARK  Name = BDB032069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.564  -0.252   1.204  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -3.602   0.504   0.703  0.00  0.00    -0.295 N 
ATOM      3  H   LIG    1       -4.339   0.816   1.311  0.00  0.00    +0.172 HD
ATOM      4  C   LIG    1       -3.762   0.823  -0.632  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1       -4.705   1.486  -1.046  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.713   0.285  -1.458  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1       -2.436   0.333  -2.842  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -1.283  -0.400  -3.044  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1       -0.865  -0.884  -1.825  0.00  0.00    -0.323 N 
ATOM     10  C   LIG    1       -1.726  -0.457  -0.849  0.00  0.00    +0.150 A 
ATOM     11  N   LIG    1       -1.599  -0.743   0.471  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -2.579  -0.465   2.544  0.00  0.00    -0.329 N 
ATOM     13  H   LIG    1       -1.688  -0.811   2.889  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1       -2.937   0.289   3.115  0.00  0.00    +0.145 HD
ENDBRANCH   1  12
BRANCH   9  15
ATOM     15  C   LIG    1        0.275  -1.754  -1.610  0.00  0.00    +0.219 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.505  -0.981  -1.181  0.00  0.00    +0.237 C 
ATOM     17  N   LIG    1        1.451  -0.529   0.128  0.00  0.00    -0.283 N 
ATOM     18  H   LIG    1        0.565  -0.671   0.621  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        2.449  -0.834  -1.954  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.450   0.180   0.843  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        2.209   0.538   2.177  0.00  0.00    +0.080 A 
ATOM     22 CL   LIG    1        0.748   0.124   2.994  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        3.191   1.233   2.871  0.00  0.00    +0.132 A 
ATOM     24  N   LIG    1        4.381   1.593   2.340  0.00  0.00    -0.262 NA
ATOM     25  C   LIG    1        4.594   1.237   1.056  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1        3.676   0.540   0.281  0.00  0.00    +0.044 A 
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   9  15
TORSDOF 4