REMARK  Name = BDB040613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.846  -0.409  -1.468  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.625  -1.470  -0.986  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.934  -1.258  -0.531  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1        3.810  -2.646   0.012  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.496   0.027  -0.536  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        2.701   1.074  -1.028  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1        3.200   2.318  -1.079  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        1.399   0.872  -1.480  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.905   0.322  -0.048  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        4.939   1.427   1.009  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.065   1.574   1.862  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.058   2.226   1.024  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.079   2.937   1.742  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.214   2.072   0.302  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.200   2.768   0.526  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        7.229   0.955  -0.712  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.828   0.662  -1.224  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.572  -0.646  -1.915  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.873  -1.826  -0.172  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.464  -0.657  -0.780  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.711   0.233  -0.361  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.570  -2.933  -0.614  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.727  -1.641   1.099  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -1.860  -0.939   2.169  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -3.119  -3.018   1.677  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -6.094   0.754   0.089  0.00  0.00    +0.234 A 
ATOM     27  N   LIG    1       -5.072   1.266   0.803  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1       -4.006   0.469   1.128  0.00  0.00    -0.150 NA
ATOM     29  C   LIG    1       -3.972  -0.831   0.746  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -5.013  -1.362  -0.012  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1       -6.098  -0.555  -0.341  0.00  0.00    +0.070 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -7.099   2.856   0.262  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1       -7.180   1.531  -0.254  0.00  0.00    -0.479 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6