REMARK  Name = BDB047277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.908  -0.146   0.993  0.00  0.00    +0.206 C 
ATOM      2  O   LIG    1        5.689   0.605   1.172  0.00  0.00    -0.474 OA
ATOM      3  C   LIG    1        4.513   0.011   0.810  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        4.396  -1.315   0.397  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1        3.136  -1.801   0.026  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.004  -0.981   0.091  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.121   0.337   0.525  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        5.594  -2.208   0.309  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1        3.381   0.826   0.878  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1        6.720  -1.660   1.161  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.781   0.447  -1.555  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        7.632   0.294  -0.302  0.00  0.00    +0.056 C 
ENDBRANCH   1  12
BRANCH   1  13
ATOM     13  C   LIG    1        7.822   0.292   2.160  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1        8.960  -0.120   2.340  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1        7.243   1.194   2.993  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        6.335   1.393   2.673  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  17
ATOM     17  O   LIG    1        1.110   1.250   0.634  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.237   0.819   0.428  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.620   0.963  -1.044  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.021   0.434  -1.329  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.956   1.150  -0.528  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.270   0.765  -0.575  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -5.142   1.376   0.338  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1       -4.573   2.548   1.478  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -6.502   1.049   0.360  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -7.025   0.105  -0.533  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -6.152  -0.500  -1.447  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.790  -0.173  -1.469  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.498  -0.268  -0.532  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -9.382   0.935  -0.870  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -8.918  -0.896   0.799  0.00  0.00    +0.012 C 
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 10