REMARK  Name = BDB019156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.684   1.274  -0.981  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.055   0.005  -1.562  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.409   0.393  -1.635  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.600   1.305  -0.426  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.316   1.939  -0.180  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        6.294  -0.400   1.044  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        5.185  -0.230   0.053  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.936   0.329   0.362  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        3.312   0.862   1.522  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        2.041   1.262   1.167  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.868   0.996  -0.170  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        3.014   0.421  -0.672  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1        3.190   0.015  -1.944  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        4.423  -0.495  -2.131  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1        5.408  -0.641  -1.225  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  C   LIG    1       -2.041   0.581   0.858  0.00  0.00    +0.180 C 
ATOM     17  C   LIG    1       -3.431   0.037   0.850  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -3.413  -1.250   1.376  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -4.575  -1.990   1.518  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.780  -1.412   1.109  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -5.797  -0.113   0.581  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -7.295   0.583   0.094  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -2.022  -1.612   1.746  0.00  0.00    +0.196 C 
ATOM     24  C   LIG    1       -4.620   0.627   0.451  0.00  0.00    +0.026 A 
ATOM     25  O   LIG    1       -1.221  -0.597   1.097  0.00  0.00    -0.365 OA
ENDBRANCH   4  16
BRANCH   2  26
ATOM     26  O   LIG    1        0.534  -0.340  -2.869  0.00  0.00    -0.385 OA
ATOM     27  H   LIG    1        1.512  -0.394  -2.788  0.00  0.00    +0.210 HD
ENDBRANCH   2  26
BRANCH   3  28
ATOM     28  O   LIG    1       -1.627   1.146  -2.842  0.00  0.00    -0.386 OA
ATOM     29  H   LIG    1       -1.102   0.678  -3.526  0.00  0.00    +0.210 HD
ENDBRANCH   3  28
TORSDOF 4