REMARK  Name = BDB017827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.774   1.598   1.030  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.596   1.627   0.098  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.817   2.516  -0.959  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        0.114   2.664  -1.969  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.291   1.911  -1.899  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.535   1.013  -0.836  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.156   3.174  -0.832  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.568   0.872   0.171  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.479   2.915   0.648  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.779   0.253  -0.823  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        3.676   0.258  -1.890  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.647  -0.522  -1.498  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        5.933  -0.999  -2.040  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.615  -1.558  -0.765  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.477  -1.875   0.224  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.416  -1.020  -0.256  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.247  -0.549   0.212  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1       -3.849   0.662   2.670  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -3.591   0.057   1.636  0.00  0.00    +0.245 C 
ATOM     20  N   LIG    1       -2.595   0.434   0.767  0.00  0.00    -0.305 N 
ATOM     21  H   LIG    1       -2.317  -0.161  -0.001  0.00  0.00    +0.150 HD
BRANCH  19  22
ATOM     22  C   LIG    1       -4.357  -1.168   1.288  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -4.498  -1.609  -0.027  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -5.239  -2.755  -0.233  0.00  0.00    +0.130 A 
ATOM     25 CL   LIG    1       -5.469  -3.377  -1.815  0.00  0.00    -0.062 Cl
ATOM     26  N   LIG    1       -5.835  -3.470   0.743  0.00  0.00    -0.244 NA
ATOM     27  C   LIG    1       -5.697  -3.008   2.001  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -4.978  -1.872   2.322  0.00  0.00    +0.033 A 
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 3