REMARK  Name = BDB001212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.690  -1.000  -2.028  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        0.513   1.803  -0.410  0.00  0.00    +0.066 C 
ATOM      3  C   LIG    1        1.695   0.916  -0.571  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.758  -0.280  -1.265  0.00  0.00    +0.026 A 
ATOM      5  S   LIG    1        3.357  -0.901  -1.187  0.00  0.00    -0.071 S 
ATOM      6  C   LIG    1        3.847   0.434  -0.217  0.00  0.00    +0.109 A 
ATOM      7  N   LIG    1        2.881   1.299   0.034  0.00  0.00    -0.244 NA
BRANCH   6   8
ATOM      8  C   LIG    1        5.226   0.573   0.297  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        6.299  -0.224  -0.133  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        7.587  -0.045   0.389  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        7.841   0.944   1.349  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.776   1.740   1.788  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        5.491   1.559   1.263  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.224   1.123   1.927  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       10.214   0.755   1.067  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.413   0.383   3.054  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.495   2.412   2.276  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1        0.411  -2.344  -1.510  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1        1.299  -2.833  -1.408  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.279  -2.348  -0.217  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.709  -1.862  -0.285  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -2.189  -0.932   0.645  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -3.517  -0.489   0.601  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.383  -0.970  -0.377  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -3.919  -1.922  -1.287  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.595  -2.365  -1.246  0.00  0.00    +0.008 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -5.703  -0.652  -0.520  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.239   0.590  -0.038  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1       -5.487   1.811  -0.579  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1       -7.673   0.630  -0.596  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.391   0.627   1.493  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1       -6.431   1.644   2.168  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.500  -0.610   2.041  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1       -6.387  -1.307   1.358  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 10