REMARK  Name = BDB047531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.286   0.020   1.964  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.908  -1.190   0.111  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.456  -0.885   0.400  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.234  -0.736   1.772  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.978  -0.423   2.268  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.912  -0.282   1.374  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.129  -0.460  -0.001  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.495  -0.940   2.547  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.404  -0.765  -0.494  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.337  -1.703   1.516  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.724   0.045  -0.340  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -5.307  -0.246  -2.876  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.278   0.684  -1.669  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -7.192  -0.311  -0.449  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -7.666  -1.402  -0.720  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.998   0.745  -0.226  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.903   0.385  -0.341  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.405   0.216   1.098  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.615   0.564   1.961  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.810   0.888   1.143  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.408   2.106   0.900  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        4.154   3.499   1.304  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.485   1.887   0.089  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.471   0.540  -0.146  0.00  0.00    +0.229 A 
ATOM     25  N   LIG    1        4.502  -0.101   0.482  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.552  -0.013  -0.956  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        7.148   0.644  -2.048  0.00  0.00    +0.055 A 
ATOM     28 CL   LIG    1        6.621   2.188  -2.629  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        8.192   0.038  -2.762  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        8.642  -1.229  -2.401  0.00  0.00    +0.042 A 
ATOM     31 CL   LIG    1        9.920  -1.966  -3.283  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        8.056  -1.905  -1.337  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        7.016  -1.302  -0.624  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9