REMARK  Name = BDB040465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.614   1.441   0.167  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.315   0.436   0.837  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.493  -0.114   0.307  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.240  -1.317   1.298  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.011   0.318  -0.932  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.296   1.354  -1.584  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.824   2.050  -3.084  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.118   1.896  -1.050  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.279  -0.238  -1.584  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        4.502  -1.737  -1.450  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        3.692  -2.564  -1.867  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.657  -2.144  -0.828  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.778  -3.144  -0.748  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.489  -1.394  -0.035  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.362  -1.924   0.646  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.223   0.090   0.012  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.543   0.568  -1.257  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.669   1.987   0.734  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.236   0.220   1.468  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.754   1.066   0.491  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.133   1.013  -0.446  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.807   0.237   2.619  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.645  -1.755   0.024  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.334  -0.767   0.992  0.00  0.00    +0.068 C 
ATOM     25  C   LIG    1       -3.851  -1.581   2.197  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.517  -0.013   0.376  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1       -5.072   1.087   1.038  0.00  0.00    +0.115 A 
ATOM     28  N   LIG    1       -6.107   1.824   0.575  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1       -6.645   1.445  -0.601  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -6.190   0.366  -1.335  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.116  -0.371  -0.839  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5