REMARK  Name = BDB003149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.500  -0.215  -0.456  0.00  0.00    +0.248 A 
ATOM      2  C   LIG    1        0.573  -0.948  -0.986  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        1.861  -0.686  -0.472  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.953  -1.435  -0.980  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.779  -2.398  -1.976  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.512  -2.642  -2.486  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.962   0.300   0.529  0.00  0.00    +0.108 A 
ATOM      8  N   LIG    1        0.888   0.960   1.024  0.00  0.00    -0.145 NA
ATOM      9  C   LIG    1        0.419  -1.927  -1.997  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1       -0.352   0.700   0.529  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        3.216   0.703   1.165  0.00  0.00    +0.040 A 
ATOM     12  S   LIG    1        4.348   1.659   0.300  0.00  0.00    -0.095 S 
ATOM     13  C   LIG    1        5.420   1.707   1.631  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.922   1.030   2.722  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.644   0.459   2.456  0.00  0.00    +0.018 A 
ENDBRANCH   7  11
BRANCH   1  16
ATOM     16  O   LIG    1       -1.773  -0.493  -0.950  0.00  0.00    -0.436 OA
BRANCH  16  19
ATOM     17  C   LIG    1       -3.760  -1.379   0.891  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -3.791  -0.021   0.253  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1       -2.773   0.391  -0.618  0.00  0.00    +0.133 A 
ATOM     20  C   LIG    1       -2.811   1.651  -1.223  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.853   2.529  -0.928  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.858   2.142  -0.043  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.828   0.875   0.544  0.00  0.00    +0.007 A 
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 3