REMARK  Name = BDB047002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.301   0.836   0.883  0.00  0.00    +0.170 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.557   0.569  -0.346  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1       -0.506  -0.659  -1.036  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.295  -0.869  -2.171  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.148   0.137  -2.624  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.218   1.353  -1.944  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.428   1.570  -0.814  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        2.402   1.337  -0.200  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.793   0.610   0.578  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.411  -0.509   1.176  0.00  0.00    -0.184 N 
ATOM     11  H   LIG    1        1.883  -1.117   1.798  0.00  0.00    +0.177 HD
BRANCH  10  12
ATOM     12  S   LIG    1        4.002  -0.934   1.005  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        4.163  -2.157   1.765  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        4.839   0.217   1.257  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1        4.105  -1.374  -0.715  0.00  0.00    +0.109 A 
ATOM     16  C   LIG    1        3.679  -2.644  -1.122  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.775  -3.011  -2.470  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.308  -2.103  -3.397  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        4.750  -0.836  -2.985  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.649  -0.473  -1.637  0.00  0.00    +0.031 A 
BRANCH  18  21
ATOM     21  N   LIG    1        4.406  -2.487  -4.813  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        5.044  -1.747  -5.571  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        3.843  -3.531  -5.165  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   1  24
ATOM     24  S   LIG    1       -0.250  -0.133   2.342  0.00  0.00    -0.081 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.773   0.657   2.676  0.00  0.00    +0.137 A 
ATOM     26  S   LIG    1       -1.893   2.161   3.489  0.00  0.00    -0.061 S 
ATOM     27  C   LIG    1       -3.610   2.070   3.384  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -3.963   0.889   2.723  0.00  0.00    +0.081 A 
ATOM     29  C   LIG    1       -5.327   0.602   2.519  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.291   1.497   2.989  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -5.924   2.667   3.647  0.00  0.00    +0.021 A 
ATOM     32 CL   LIG    1       -7.959   1.145   2.749  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1       -4.575   2.975   3.855  0.00  0.00    +0.018 A 
ATOM     34  N   LIG    1       -2.903   0.092   2.330  0.00  0.00    -0.233 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7