REMARK  Name = BDB054374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.834   1.536  -0.117  0.00  0.00    +0.293 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.295   1.447   0.171  0.00  0.00    +0.136 A 
ATOM      3  S   LIG    1        3.006   2.300   1.478  0.00  0.00    +0.032 S 
ATOM      4  N   LIG    1        4.540   1.752   1.134  0.00  0.00    -0.189 NA
ATOM      5  C   LIG    1        4.450   0.952   0.064  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        3.191   0.767  -0.518  0.00  0.00    -0.220 NA
BRANCH   5   7
ATOM      7  C   LIG    1        5.624   0.285  -0.509  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        6.900   0.466   0.042  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        8.003  -0.177  -0.517  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        9.208   0.018   0.035  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        7.877  -1.008  -1.627  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        6.604  -1.194  -2.182  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        5.490  -0.552  -1.628  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.098  -1.674  -2.185  0.00  0.00    +0.420 C 
ATOM     15  F   LIG    1        8.829  -2.447  -3.278  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        9.706  -2.505  -1.294  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       10.048  -0.789  -2.594  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        0.150   0.889   0.956  0.00  0.00    -0.485 OA
BRANCH  18  24
ATOM     19  C   LIG    1       -4.244   1.878  -1.172  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.411   1.320  -0.053  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -4.003   0.676   1.041  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -3.219   0.186   2.083  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -1.829   0.278   2.008  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -1.216   0.875   0.905  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -2.008   1.393  -0.122  0.00  0.00    +0.052 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -5.366   0.601   1.117  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.921  -0.694   0.833  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -7.158  -0.417  -0.043  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -6.428  -1.289   2.157  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.055  -1.716   0.046  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -4.826  -1.701  -1.155  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.501  -2.682   0.811  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -3.948  -3.189   0.180  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 9