REMARK  Name = BDB040372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.746  -0.998  -1.846  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.643  -0.466  -1.613  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.539  -1.158  -0.795  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.822  -0.654  -0.537  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.830  -1.641   0.468  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.251   0.575  -1.084  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.337   1.254  -1.919  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.728   2.743  -2.714  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.054   0.745  -2.171  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.636   1.157  -0.808  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        4.964   1.275   0.678  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.133   1.589   1.528  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.281   1.096   1.030  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.488   1.192   2.014  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.370   1.039   0.198  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.512   1.078   0.645  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        7.086   1.024  -1.284  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.729   0.407  -1.580  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.876  -1.525   0.290  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -1.609  -0.650  -0.743  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.935   0.308  -0.678  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.470  -2.686   0.284  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.933  -2.013   2.534  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1       -2.710  -0.939   1.448  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -1.896   0.199   2.106  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.046  -0.448   0.897  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1       -4.226   0.888   0.777  0.00  0.00    -0.153 NA
ATOM     28  N   LIG    1       -5.385   1.398   0.250  0.00  0.00    -0.148 NA
ATOM     29  C   LIG    1       -6.365   0.565  -0.165  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1       -6.211  -0.810  -0.080  0.00  0.00    +0.032 A 
ATOM     31  C   LIG    1       -5.032  -1.324   0.453  0.00  0.00    +0.028 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -7.617   1.167  -0.739  0.00  0.00    +0.391 C 
ATOM     33  F   LIG    1       -7.763   0.898  -2.069  0.00  0.00    -0.202 F 
ATOM     34  F   LIG    1       -8.750   0.690  -0.146  0.00  0.00    -0.202 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6