REMARK  Name = BDB056393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.944  -4.370  -0.855  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        2.057  -3.209  -0.473  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        3.278  -2.787  -0.033  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        4.014  -3.475  -0.069  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        3.640  -1.492   0.154  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        4.798  -1.149   0.358  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.518  -0.549   0.069  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.156  -1.058  -0.244  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.050  -0.168  -0.255  0.00  0.00    -0.291 N 
ATOM     10  C   LIG    1        0.294   1.251  -0.150  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1        1.594   1.701   0.187  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.866   3.066   0.391  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.868   4.024   0.235  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -0.400   3.627  -0.167  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -0.668   2.261  -0.372  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1        2.704   0.754   0.302  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        1.010  -2.334  -0.485  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.236  -0.750   0.007  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -1.909  -0.486   1.214  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -3.163  -1.050   1.468  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.752  -1.885   0.521  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -5.294  -2.579   0.837  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -3.097  -2.165  -0.676  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -1.844  -1.601  -0.930  0.00  0.00    +0.027 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  N   LIG    1       -1.959   1.971  -0.966  0.00  0.00    +0.058 N 
ATOM     26  O   LIG    1       -1.959   1.506  -2.113  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -2.960   2.275  -0.304  0.00  0.00    -0.126 OA
ENDBRANCH  15  25
TORSDOF 2