REMARK  Name = BDB040397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.249  -1.023   0.291  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        0.410   0.323   0.647  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.684   0.903   0.720  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1        1.756   2.577   1.145  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        2.834   0.151   0.439  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        2.648  -1.188   0.062  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1        3.712  -1.942  -0.254  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        1.386  -1.774  -0.014  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.240   0.722   0.509  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        5.167  -0.114   1.394  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.795  -0.673   2.424  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.492  -0.149   1.031  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.099  -0.684   1.637  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.119   0.585   0.056  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.342   0.576  -0.057  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.237   1.459  -0.800  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.831   0.890  -0.896  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.127  -1.623   0.193  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.916  -1.190  -1.579  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.655  -1.464  -1.144  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.018  -1.636  -1.912  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.076  -1.166  -2.804  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.367  -2.240   0.172  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -4.089  -0.929  -0.595  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -5.366  -0.627  -1.421  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.832   0.305   0.288  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -4.120   0.322   1.663  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.872   1.460   2.437  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.345   2.606   1.850  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.073   2.621   0.486  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.318   1.484  -0.288  0.00  0.00    +0.004 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5