REMARK  Name = BDB040776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.149   2.021  -0.516  0.00  0.00    +0.159 A 
ATOM      2  C   LIG    1        2.285   1.766  -1.317  0.00  0.00    +0.088 A 
ATOM      3 CL   LIG    1        2.273   2.279  -2.979  0.00  0.00    -0.079 Cl
ATOM      4  C   LIG    1        3.400   1.086  -0.788  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        3.326   0.652   0.546  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.213   0.941   1.343  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.119   1.660   0.846  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.630   0.759  -1.629  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.960   0.914  -0.888  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        6.160   1.744  -0.004  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.990   0.104  -1.307  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        7.875   0.238  -0.836  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.993  -0.800  -2.338  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        8.019  -1.393  -2.658  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        5.696  -0.967  -3.089  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        4.504  -0.659  -2.198  0.00  0.00    +0.027 C 
ENDBRANCH   4   8
BRANCH   7  17
ATOM     17  N   LIG    1        0.038   1.971   1.705  0.00  0.00    -0.323 N 
ATOM     18  C   LIG    1        0.048   1.985   3.145  0.00  0.00    +0.129 C 
ATOM     19  C   LIG    1       -1.169   2.914   3.103  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -0.858   3.094   1.611  0.00  0.00    +0.129 C 
BRANCH  19  21
ATOM     21  N   LIG    1       -2.461   2.349   3.416  0.00  0.00    -0.292 N 
ATOM     22  H   LIG    1       -3.155   3.055   3.641  0.00  0.00    +0.151 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.017   1.219   2.937  0.00  0.00    +0.308 A 
ATOM     24  O   LIG    1       -2.221   0.241   2.420  0.00  0.00    -0.409 OA
ATOM     25  C   LIG    1       -3.130  -0.715   2.057  0.00  0.00    +0.222 A 
ATOM     26  N   LIG    1       -4.368  -0.356   2.330  0.00  0.00    -0.111 NA
ATOM     27  N   LIG    1       -4.291   0.894   2.906  0.00  0.00    -0.093 NA
BRANCH  25  28
ATOM     28  C   LIG    1       -2.719  -2.064   1.389  0.00  0.00    +0.078 C 
ATOM     29  C   LIG    1       -2.632  -1.991  -0.162  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.975  -2.684  -0.204  0.00  0.00    -0.028 C 
ATOM     31  C   LIG    1       -4.239  -3.707  -1.281  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -5.068  -2.612  -1.998  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -5.180  -1.877  -0.638  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -3.856  -3.113   1.234  0.00  0.00    +0.020 C 
ENDBRANCH  25  28
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   7  17
BRANCH   1  36
ATOM     35  C   LIG    1       -0.883   1.708  -1.544  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        0.069   2.668  -1.080  0.00  0.00    -0.492 OA
ENDBRANCH   1  36
TORSDOF 6