REMARK  Name = BDB009038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518  -1.035   0.916  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.597  -0.483   1.552  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.761  -1.244   1.758  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.786  -2.579   1.339  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.675  -3.139   0.713  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.471  -2.370   0.502  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.980   1.007   0.913  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        1.705  -0.325   0.662  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        2.462  -0.835   0.216  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.213   1.834   1.401  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.403   1.408   0.512  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        4.094   0.318  -0.093  0.00  0.00    -0.483 OA
BRANCH  12  15
ATOM     13  C   LIG    1        5.313  -1.887  -1.249  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        6.026  -0.572  -1.093  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1        5.383   0.534  -0.502  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        6.072   1.745  -0.371  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        7.390   1.861  -0.822  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        8.023   0.768  -1.406  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        9.645   0.915  -1.960  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        7.350  -0.443  -1.543  0.00  0.00    +0.027 A 
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.960  -0.632   2.446  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.225  -0.668   1.594  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.390   0.303   0.466  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.351   1.353   0.185  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -3.843   2.455  -0.758  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.609   1.867  -1.936  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.817   1.061  -1.456  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.511   0.189  -0.269  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.524  -0.841   0.071  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.563  -0.964  -0.569  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.231  -1.637   1.144  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.911  -2.347   1.394  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.104  -1.576   1.902  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6