REMARK  Name = BDB050462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.568   1.010  -0.744  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -1.522   1.734  -1.949  0.00  0.00    +0.062 A 
ATOM      3 CL   LIG    1       -2.692   1.459  -3.196  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1       -0.534   2.693  -2.173  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.430   2.938  -1.196  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.416   2.227   0.011  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.600   1.278   0.230  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -2.125  -0.844   1.517  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.793  -0.817   0.488  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -2.590   0.044  -0.578  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.225  -0.029  -1.367  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1       -4.016  -1.706   0.290  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -4.184  -2.772   1.377  0.00  0.00    +0.093 C 
ATOM     14  N   LIG    1       -4.376  -4.049   0.677  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -5.049  -4.639   1.165  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -4.816  -3.732  -0.673  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -3.998  -2.504  -1.010  0.00  0.00    +0.029 C 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        1.460   2.489   1.081  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.827   2.203   0.641  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1        3.334   0.866   0.610  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        4.630   0.630   0.135  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.170  -0.663   0.075  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.412  -1.749   0.500  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.124  -1.538   0.983  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.447   1.768  -0.311  0.00  0.00    +0.262 A 
ATOM     26  O   LIG    1        6.578   1.621  -0.761  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1        4.870   3.000  -0.195  0.00  0.00    -0.274 N 
ATOM     28  H   LIG    1        5.416   3.788  -0.507  0.00  0.00    +0.173 HD
ATOM     29  C   LIG    1        2.591  -0.243   1.040  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        3.602   3.277   0.227  0.00  0.00    +0.330 A 
ATOM     31  O   LIG    1        3.211   4.444   0.209  0.00  0.00    -0.246 OA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4