REMARK  Name = BDB018881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.615   1.408   1.172  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.246   1.251   0.920  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        0.160   0.200   0.116  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1        1.462  -0.151  -0.297  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        1.360  -1.301  -1.212  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1       -0.095  -1.776  -1.202  0.00  0.00    +0.057 C 
ATOM      7  C   LIG    1        2.624   0.551   0.004  0.00  0.00    +0.241 C 
ATOM      8  O   LIG    1        2.648   1.575   0.690  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -0.775  -0.700  -0.410  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.143  -0.576  -0.156  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -2.553   0.500   0.646  0.00  0.00    +0.022 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -3.125  -1.531  -0.682  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.731  -1.387  -1.944  0.00  0.00    +0.049 A 
ATOM     14 CL   LIG    1       -3.358  -0.053  -2.982  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -4.661  -2.325  -2.403  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.003  -3.419  -1.610  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.416  -3.577  -0.357  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.486  -2.641   0.103  0.00  0.00    +0.010 A 
ENDBRANCH  10  12
BRANCH   1  22
ATOM     19  C   LIG    1       -3.687   4.333   2.338  0.00  0.00    +0.128 C 
ATOM     20  N   LIG    1       -3.239   3.142   1.662  0.00  0.00    -0.314 N 
ATOM     21  H   LIG    1       -3.593   2.967   0.731  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1       -2.055   2.535   2.033  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -1.374   2.889   2.986  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
BRANCH   7  24
ATOM     24  C   LIG    1        3.938  -0.059  -0.523  0.00  0.00    +0.170 C 
ATOM     25  N   LIG    1        5.051   0.932  -0.638  0.00  0.00    -0.258 N 
ATOM     26  C   LIG    1        5.944   0.797   0.542  0.00  0.00    +0.117 C 
ATOM     27  C   LIG    1        5.294  -0.257   1.429  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1        4.480  -1.097   0.460  0.00  0.00    +0.034 C 
BRANCH  25  29
ATOM     29  C   LIG    1        5.018   2.003  -1.440  0.00  0.00    +0.170 C 
ATOM     30  N   LIG    1        4.998   2.905  -2.165  0.00  0.00    -0.174 NA
ENDBRANCH  25  29
ENDBRANCH   7  24
TORSDOF 4