REMARK  Name = BDB040367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.096   1.793  -1.382  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.421   1.557  -0.707  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.422   0.823  -1.348  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.650   0.573  -0.720  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.780  -0.375  -1.627  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.920   1.053   0.581  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.885   1.764   1.225  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.028   2.356   2.848  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.659   2.012   0.591  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.253   0.807   1.286  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.467   1.237   0.466  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.482   2.245  -0.238  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.606   0.482   0.618  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.407   0.787   0.081  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.860  -0.465   1.577  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.990  -0.919   1.737  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.708  -0.839   2.477  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.374  -0.640   1.776  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.007  -0.334  -2.010  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -0.804   0.698  -1.119  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.390   0.734  -0.287  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.413  -0.378  -3.087  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.127  -2.487  -2.660  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -1.951  -1.454  -1.528  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -1.295  -2.177  -0.334  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.290  -0.861  -1.101  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1       -4.389  -1.130  -1.829  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1       -5.553  -0.588  -1.409  0.00  0.00    +0.118 A 
ATOM     29  C   LIG    1       -5.700   0.210  -0.290  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -4.505   0.427   0.373  0.00  0.00    +0.118 A 
ATOM     31  N   LIG    1       -3.306  -0.080   0.004  0.00  0.00    -0.239 NA
BRANCH  29  32
ATOM     32  C   LIG    1       -7.009   0.810   0.139  0.00  0.00    +0.022 C 
ATOM     33  C   LIG    1       -7.529   0.578   1.539  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.209  -0.077   0.376  0.00  0.00    +0.009 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6