REMARK  Name = BDB036459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.797   1.535  -0.702  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.502   1.021  -0.453  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.891   1.658   0.707  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.115   1.467   1.340  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        2.995   0.540   0.757  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.629  -0.096  -0.445  0.00  0.00    +0.069 A 
ATOM      7  O   LIG    1       -0.103   2.486   1.122  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.380   0.108  -1.064  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -1.169   2.405   0.242  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.576   1.160  -1.788  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.245   0.382  -2.356  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.216   1.450  -1.917  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.392   2.886  -1.971  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.685   0.618  -3.011  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.563  -0.527  -0.046  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.911   0.776  -0.434  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.809   1.505   0.351  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.334   0.942   1.522  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.944  -0.332   1.930  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.055  -1.065   1.149  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.367  -2.358  -1.437  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.689  -1.277  -0.791  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.296   2.719  -0.043  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.737   3.779   0.737  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        4.273   0.366   1.344  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1        4.321   0.761   2.278  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.132  -0.758   1.274  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1        4.718  -1.928   0.743  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        5.593  -2.959   0.709  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        6.891  -2.885   1.177  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.319  -1.680   1.712  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.432  -0.606   1.760  0.00  0.00    +0.044 A 
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  33
ATOM     33  O   LIG    1        0.954  -0.499  -2.215  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1        1.781  -1.533  -2.738  0.00  0.00    +0.277 C 
ENDBRANCH   8  33
TORSDOF 8