REMARK  Name = BDB040369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.670  -0.915  -1.614  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.619  -1.893  -1.296  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.740  -1.578  -0.516  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        3.865  -2.857  -0.216  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.931  -0.277  -0.019  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.974   0.700  -0.355  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.860   0.385  -1.135  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.137   0.108   0.829  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        3.766   0.874   2.099  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        2.727   0.689   2.730  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        4.703   1.764   2.569  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        4.464   2.244   3.426  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        5.960   2.012   2.077  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        6.733   2.764   2.662  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        6.354   1.258   0.832  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        5.135   0.914  -0.009  0.00  0.00    +0.027 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.562  -1.261  -2.410  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.590  -0.520  -1.216  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.678  -1.509  -1.522  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.617  -2.333  -0.942  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.577   0.566  -1.791  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -2.908  -1.325   1.169  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -3.635  -0.878  -0.120  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1       -4.460  -2.078  -0.637  0.00  0.00    +0.026 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.500   0.341   0.213  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.955   1.502   0.745  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1       -4.662   2.599   1.081  0.00  0.00    -0.210 NA
ATOM     28  C   LIG    1       -5.979   2.536   0.847  0.00  0.00    +0.309 A 
ATOM     29  F   LIG    1       -6.712   3.610   1.172  0.00  0.00    -0.161 F 
ATOM     30  N   LIG    1       -6.628   1.485   0.326  0.00  0.00    -0.210 NA
ATOM     31  C   LIG    1       -5.868   0.416   0.016  0.00  0.00    +0.121 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5