REMARK  Name = BDB019057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.706  -0.445   0.403  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.126  -1.558   1.066  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.141  -1.931   0.674  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.460  -3.052   1.395  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.484  -3.372   2.255  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.870  -1.240  -0.311  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.326  -0.224  -0.929  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.484  -2.455   2.046  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.951   0.146  -0.551  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.320   0.595   0.026  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        4.058   0.072  -0.275  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.045   0.105   0.692  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        3.320   0.651   1.955  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        4.588   1.158   2.251  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.595   1.127   1.288  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.403   2.061  -2.076  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        6.606   0.534  -1.198  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.877   0.581  -0.501  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        6.294  -0.553  -2.106  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.151  -1.615  -0.650  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.424  -1.095  -1.483  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.218  -1.580   0.346  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.447  -0.919  -0.210  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.511   0.449  -0.459  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.474   1.501  -0.319  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -4.357   2.740  -0.465  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -5.557   2.379  -1.187  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.659   1.027  -0.989  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.781   0.287  -1.300  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.743  -1.085  -1.052  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.590  -1.671  -0.513  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.593  -2.993  -0.290  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5