REMARK  Name = BDB059301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057   0.946   0.334  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.022   0.292  -0.235  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.957  -0.677  -0.542  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.063   2.004   0.946  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.975  -3.152   0.143  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.804  -1.663   0.048  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.921  -0.832  -0.140  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -3.775   0.563  -0.178  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -2.500   1.128  -0.021  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.383   0.305   0.161  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.538  -1.087   0.214  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -4.899   1.418  -0.369  0.00  0.00    -0.237 N 
ATOM     13  N   LIG    1       -4.740   2.772  -0.432  0.00  0.00    -0.172 NA
ATOM     14  C   LIG    1       -5.972   3.252  -0.615  0.00  0.00    +0.173 A 
ATOM     15  C   LIG    1       -6.912   2.228  -0.676  0.00  0.00    +0.161 A 
ATOM     16  F   LIG    1       -8.228   2.352  -0.852  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -6.223   1.059  -0.521  0.00  0.00    +0.152 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  N   LIG    1        2.404   0.709   0.291  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.311   1.559   0.871  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.160  -0.507   1.233  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.110  -0.074   2.611  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.604  -1.779   0.811  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.830  -0.402   0.656  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.781   0.300   1.403  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.100   0.359   0.951  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.463  -0.286  -0.233  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.512  -0.996  -0.968  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.191  -1.060  -0.524  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5