REMARK  Name = BDB007342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.798  -0.511  -0.497  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1        0.185   0.675  -0.444  0.00  0.00    +0.098 C 
ATOM      3  C   LIG    1        0.361   1.271   0.942  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        0.095   2.641   0.897  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.180   3.461   2.002  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        0.533   2.861   3.209  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.777   1.480   3.289  0.00  0.00    +0.020 A 
ATOM      8 CL   LIG    1        0.654   3.824   4.632  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -0.293   3.010  -0.378  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -0.568   3.937  -0.666  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        0.682   0.672   2.151  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -0.327   1.921  -1.237  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1       -0.674   1.972  -2.407  0.00  0.00    -0.274 OA
ATOM     14  C   LIG    1        1.451   0.152  -1.189  0.00  0.00    +0.069 C 
ATOM     15  C   LIG    1        0.926  -1.050  -2.018  0.00  0.00    +0.149 C 
ATOM     16  N   LIG    1       -0.542  -1.090  -1.819  0.00  0.00    -0.301 NA
ATOM     17  H   LIG    1       -0.885  -2.044  -1.915  0.00  0.00    +0.123 HD
ENDROOT
BRANCH  14  18
ATOM     18  C   LIG    1        2.657  -0.157  -0.309  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        3.615   0.853  -0.107  0.00  0.00    +0.145 A 
ATOM     20  F   LIG    1        3.435   2.046  -0.698  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1        4.729   0.648   0.706  0.00  0.00    +0.076 A 
ATOM     22 CL   LIG    1        5.884   1.902   0.948  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        4.910  -0.579   1.340  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        3.968  -1.591   1.163  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.847  -1.382   0.351  0.00  0.00    +0.007 A 
ENDBRANCH  14  18
BRANCH  15  26
ATOM     26  C   LIG    1        1.235  -0.902  -3.516  0.00  0.00    +0.228 C 
ATOM     27  O   LIG    1        2.043  -1.617  -4.100  0.00  0.00    -0.274 OA
ATOM     28  N   LIG    1        0.577   0.100  -4.165  0.00  0.00    -0.328 N 
ATOM     29  H   LIG    1       -0.167   0.623  -3.702  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        0.698   0.207  -5.161  0.00  0.00    +0.145 HD
ENDBRANCH  15  26
BRANCH   1  31
ATOM     31  C   LIG    1       -2.281  -0.134  -0.302  0.00  0.00    +0.026 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -4.677  -0.664   0.203  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -3.251  -1.254   0.177  0.00  0.00    -0.036 C 
ATOM     34  C   LIG    1       -3.253  -2.477  -0.750  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -2.894  -1.705   1.606  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 4