REMARK  Name = BDB033093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.549   0.978   0.439  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.960  -0.350   1.082  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.220  -0.045   1.716  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.423   1.312   1.866  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        3.389   1.852   2.379  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        1.211   2.029   1.330  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.682   0.313  -0.391  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.883   1.182   0.320  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.261   2.118   0.454  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.270  -0.770  -0.794  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -6.168  -0.932  -2.182  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.288   0.087  -1.522  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -3.946  -0.211  -1.244  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.094   0.739  -0.653  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.609   2.011  -0.357  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -4.942   2.321  -0.644  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.774   1.364  -1.227  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.817   2.981   0.205  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -3.351   3.787   0.324  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.138  -1.069   2.167  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.999  -1.579   1.038  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        3.717  -2.803   0.415  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.508  -3.263  -0.644  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        4.095  -4.785  -1.352  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.588  -2.496  -1.093  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        6.608  -3.001  -2.394  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.871  -1.272  -0.482  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.081  -0.815   0.575  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5