REMARK  Name = BDB059361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506  -0.741   2.234  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.754  -0.458   1.720  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        2.503  -0.299   2.391  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.307  -0.805   3.443  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.887  -0.438   0.629  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.809  -0.261   1.500  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.614  -0.956   1.293  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -0.498  -1.859   0.234  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.569  -2.031  -0.641  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.757  -1.317  -0.449  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -3.986   0.317   0.928  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.212   0.043   0.250  0.00  0.00    +0.229 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.658   0.684  -1.711  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -5.343   0.921  -0.991  0.00  0.00    +0.038 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        1.971   0.086   0.330  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        1.138   0.393  -0.185  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.004  -0.805  -0.695  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.352  -0.794  -1.989  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.376  -2.046  -0.054  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.424   0.226  -0.787  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        5.113   0.528   0.380  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        4.704   0.068   1.571  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.246   1.336   0.334  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        6.689   1.841  -0.890  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.998   1.535  -2.064  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.862   0.725  -2.018  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 7