REMARK  Name = BDB019130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.443  -1.808  -0.813  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -1.959  -0.527  -0.570  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.577  -0.669  -0.604  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.321   0.404  -0.458  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.131   1.617  -0.304  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -1.498   1.778  -0.238  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.299  -1.989  -0.831  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -2.430   0.801  -0.339  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1       -1.391  -2.710  -0.912  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.819   1.240  -0.147  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.364   1.353   1.131  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1       -5.627   1.763   1.389  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -6.381   2.100   0.320  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.928   2.050  -0.989  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.623   1.620  -1.222  0.00  0.00    +0.011 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  C   LIG    1       -4.701  -2.417   0.673  0.00  0.00    +0.202 C 
ATOM     17  S   LIG    1       -4.091  -2.355  -0.988  0.00  0.00    +0.013 S 
ATOM     18  O   LIG    1       -4.007  -3.710  -1.495  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1       -4.771  -1.316  -1.733  0.00  0.00    -0.168 OA
ENDBRANCH   1  17
BRANCH   4  20
ATOM     20  N   LIG    1        1.680   0.192  -0.501  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.120   1.092  -0.689  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.333  -0.386   0.671  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.783  -0.619   0.372  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.746   0.380   0.484  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.611   1.809   0.856  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        6.088   2.159   1.046  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.893   1.219   0.301  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.073   0.131   0.155  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.504  -1.099  -0.300  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.557  -2.117  -0.415  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.218  -1.871  -0.083  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.333  -2.870  -0.214  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5