REMARK  Name = BDB040436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.322  -0.783   2.704  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.065  -0.558   2.159  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.343   0.559   1.367  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.617   0.757   0.818  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        2.814   2.198  -0.124  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.663  -0.165   1.038  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.369  -1.278   1.855  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.554  -2.472   2.268  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.091  -1.473   2.398  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.056   0.016   0.437  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.044   0.206  -1.078  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.271  -0.391  -1.825  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.016   1.028  -1.598  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.008   1.133  -2.604  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.127   1.518  -0.961  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.027   2.067  -1.589  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.222   1.260   0.523  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.843   1.122   1.149  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.042  -0.473   0.959  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.191  -1.300   1.670  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.978  -2.219   1.310  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.155   0.717   1.247  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.416  -2.483   0.196  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.783  -1.140  -0.239  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -1.707  -1.451  -1.305  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.923  -0.232  -0.761  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -4.964   0.145   0.121  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -6.022   0.954  -0.333  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.030   1.377  -1.653  0.00  0.00    +0.066 A 
ATOM     30  N   LIG    1       -7.162   2.137  -1.783  0.00  0.00    -0.277 N 
ATOM     31  H   LIG    1       -7.493   2.616  -2.612  0.00  0.00    +0.189 HD
ATOM     32  N   LIG    1       -7.894   2.232  -0.657  0.00  0.00    -0.181 NA
ATOM     33  C   LIG    1       -5.027   1.039  -2.561  0.00  0.00    +0.028 A 
ATOM     34  C   LIG    1       -7.189   1.518   0.227  0.00  0.00    +0.142 A 
ATOM     35  C   LIG    1       -3.980   0.231  -2.089  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5