REMARK  Name = BDB001237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.516  -3.053   0.946  0.00  0.00    +0.151 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.005  -1.650   1.133  0.00  0.00    +0.149 A 
ATOM      3  N   LIG    1        2.295  -1.309   0.730  0.00  0.00    -0.222 NA
ATOM      4  C   LIG    1        2.512  -0.034   0.985  0.00  0.00    +0.128 A 
ATOM      5  S   LIG    1        1.148   0.681   1.751  0.00  0.00    +0.034 S 
ATOM      6  N   LIG    1        0.237  -0.718   1.712  0.00  0.00    -0.193 NA
BRANCH   4   7
ATOM      7  C   LIG    1        3.753   0.694   0.679  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.902   2.078   0.848  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.114   2.710   0.536  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        6.204   1.981   0.047  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        6.067   0.607  -0.132  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.854  -0.025   0.180  0.00  0.00    +0.014 A 
BRANCH  10  13
ATOM     13  O   LIG    1        7.318   2.728  -0.204  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        8.446   2.066  -0.746  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        8.900   1.110   0.091  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        9.432   2.972  -0.925  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.159   1.514  -1.943  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        0.170  -3.459  -0.810  0.00  0.00    -0.117 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -4.957  -2.589  -0.050  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.657  -2.083  -0.602  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.503  -0.779  -1.087  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.302  -0.364  -1.664  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -1.192  -1.206  -1.629  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.291  -2.464  -1.032  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.528  -2.914  -0.560  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.527   0.124  -0.975  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.425   0.960   0.200  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -5.839   0.995   0.806  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -4.096   2.385  -0.276  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -3.450   0.531   1.338  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -3.712  -0.203   2.280  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -2.191   0.985   1.167  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -1.627   0.424   1.752  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 10