REMARK  Name = BDB019128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.486   0.171  -0.346  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.729  -0.713  -1.173  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.645  -0.509  -1.156  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -1.215  -1.430  -1.990  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1       -0.320  -2.230  -2.516  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1       -1.274   0.509  -0.415  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.559   1.342   0.288  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.909  -1.763  -2.067  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        0.804   1.139   0.309  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.668   0.141   0.504  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        4.782  -0.508   1.367  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.416  -0.501   1.079  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.934   0.138  -0.075  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.837   0.792  -0.925  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.206   0.781  -0.647  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.702   1.703   1.590  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        7.412   0.118   0.849  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.643  -0.896   1.861  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        8.108   0.074  -0.421  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  20
ATOM     20  S   LIG    1        2.388  -2.492  -2.636  0.00  0.00    +0.013 S 
ATOM     21  O   LIG    1        3.306  -1.394  -2.852  0.00  0.00    -0.168 OA
ATOM     22  O   LIG    1        2.002  -3.374  -3.720  0.00  0.00    -0.168 OA
ATOM     23  C   LIG    1        2.930  -3.487  -1.277  0.00  0.00    +0.202 C 
ENDBRANCH   8  20
BRANCH   6  24
ATOM     24  N   LIG    1       -2.642   0.655  -0.443  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -2.853   1.596  -0.115  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.460  -0.279   0.327  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.911  -0.002   0.072  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.621   0.984   0.750  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.175   1.957   1.777  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -6.538   2.476   2.239  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.507   2.249   1.191  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -6.955   1.236   0.450  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.638   0.537  -0.524  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.948  -0.460  -1.213  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.604  -0.718  -0.914  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.969  -1.679  -1.601  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6