REMARK  Name = BDB040448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.057  -0.743   0.368  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.490  -0.369   0.097  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.385  -1.286  -0.454  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.720  -0.934  -0.721  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.692  -2.219  -1.348  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.204   0.365  -0.461  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.282   1.274   0.114  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.722   2.893   0.560  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.953   0.915   0.380  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.635   0.832  -0.739  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.284   0.297  -2.007  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.798   0.478  -3.123  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.447  -0.419  -1.861  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.850  -0.770  -2.720  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.923  -1.007  -0.716  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.828  -1.836  -0.760  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.226  -0.646   0.572  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.565   0.717   0.477  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.185  -0.041  -0.619  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.825  -0.110  -0.585  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.458  -0.026  -1.528  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.665   0.155  -1.741  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.607   0.716   1.807  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.077  -0.200   0.654  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -3.002  -1.665   1.133  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.532   0.219   0.276  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.591  -0.629   0.241  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1       -6.895  -0.160  -0.091  0.00  0.00    +0.067 A 
ATOM     29  N   LIG    1       -7.057   1.191  -0.391  0.00  0.00    -0.240 N 
ATOM     30  N   LIG    1       -8.356   1.474  -0.675  0.00  0.00    -0.175 NA
ATOM     31  C   LIG    1       -8.988   0.305  -0.564  0.00  0.00    +0.135 A 
ATOM     32  C   LIG    1       -5.983   2.074  -0.380  0.00  0.00    +0.113 A 
ATOM     33  C   LIG    1       -8.132  -0.747  -0.203  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -4.753   1.638  -0.067  0.00  0.00    +0.024 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5