REMARK  Name = BDB055402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.058  -1.985   1.295  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.400  -2.115   1.068  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.788  -1.458   0.822  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.766  -0.494   0.504  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.453  -3.247   1.539  0.00  0.00    -0.270 OA
BRANCH   2   9
ATOM      6  C   LIG    1       -4.079  -0.141   0.019  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -2.951   0.622   0.346  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -1.746   0.002   0.692  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.654  -1.395   0.707  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.784  -2.160   0.394  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.986  -1.538   0.048  0.00  0.00    +0.004 A 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.381   0.532  -0.349  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.102   1.191   2.003  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -6.471   0.418   0.735  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1       -7.803   0.935   0.186  0.00  0.00    +0.007 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        3.231  -1.533   0.445  0.00  0.00    +0.192 C 
BRANCH  16  17
ATOM     17  S   LIG    1        3.568   0.191   0.706  0.00  0.00    +0.015 S 
ATOM     18  O   LIG    1        2.400   0.943   0.273  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1        4.096   0.352   2.049  0.00  0.00    -0.168 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.888   0.594  -0.415  0.00  0.00    +0.176 A 
ATOM     21  N   LIG    1        5.286  -0.416  -1.229  0.00  0.00    -0.236 NA
ATOM     22  C   LIG    1        6.294  -0.123  -2.083  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        6.919   1.117  -2.153  0.00  0.00    +0.073 A 
ATOM     24  C   LIG    1        6.468   2.129  -1.294  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        5.433   1.868  -0.401  0.00  0.00    +0.048 A 
BRANCH  23  26
ATOM     26  C   LIG    1        8.014   1.345  -3.152  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1        8.829   0.264  -3.297  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.530   1.618  -4.394  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.829   2.385  -2.828  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8