REMARK  Name = BDB054846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.801   0.770  -0.375  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.713  -0.173  -1.401  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.520  -0.310  -2.111  0.00  0.00    +0.083 A 
ATOM      4 CL   LIG    1        0.431  -1.480  -3.379  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.585   0.488  -1.783  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1       -0.484   1.452  -0.773  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.709   1.585  -0.065  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM      8  O   LIG    1        3.156   2.722   2.420  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        4.146   2.024   2.171  0.00  0.00    +0.275 C 
ATOM     10  C   LIG    1        4.102   1.040   1.071  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        3.010   0.906   0.369  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        5.276   0.200   0.768  0.00  0.00    +0.275 C 
ATOM     13  O   LIG    1        5.228  -0.624  -0.152  0.00  0.00    -0.268 OA
ATOM     14  N   LIG    1        6.336   0.404   1.544  0.00  0.00    -0.152 NA
ATOM     15  C   LIG    1        6.342   1.305   2.534  0.00  0.00    +0.184 C 
ATOM     16  S   LIG    1        7.761   1.472   3.461  0.00  0.00    -0.015 S 
ATOM     17  N   LIG    1        5.295   2.083   2.835  0.00  0.00    -0.152 NA
ENDBRANCH   1  11
BRANCH   5  18
ATOM     18  O   LIG    1       -1.761   0.364  -2.483  0.00  0.00    -0.470 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.687  -0.232  -1.729  0.00  0.00    +0.231 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.661  -0.875  -0.902  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.310  -1.296   0.382  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -4.258  -1.921   1.194  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.555  -2.125   0.722  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.906  -1.705  -0.561  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.958  -1.079  -1.375  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 4