REMARK  Name = BDB026739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.618   1.845  -0.985  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1       -0.198   1.383  -1.415  0.00  0.00    +0.246 C 
ATOM      3  O   LIG    1        0.464   2.062  -2.201  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.295   0.223  -0.830  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.541  -0.601   0.061  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -1.593   0.278   0.800  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1       -2.397   0.983  -0.153  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.125  -1.807  -0.675  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -1.820  -1.681  -1.889  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.356  -2.804  -2.526  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.203  -4.064  -1.956  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.864  -5.445  -2.740  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.519  -4.212  -0.754  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.982  -3.090  -0.117  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -2.469  -0.497   1.768  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -3.734  -0.978   1.391  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.504  -1.717   2.287  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.047  -2.307   1.805  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.032  -1.987   3.570  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.779  -1.514   3.958  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.002  -0.776   3.063  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.492   3.208  -0.302  0.00  0.00    +0.161 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -2.093   4.375  -2.356  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -1.457   4.312  -1.319  0.00  0.00    +0.308 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -0.654   5.326  -0.943  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -0.706   5.959  -1.690  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.636  -0.256  -1.177  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.675  -0.009  -0.063  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        4.030  -0.654  -0.425  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        5.021   0.355  -0.992  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        5.323   1.475   0.004  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.147   1.802   0.926  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        2.812   1.492   0.262  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7