REMARK  Name = BDB016136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.322   2.764  -0.174  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.489   1.244  -0.109  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.171   0.644  -0.162  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.430   1.154   0.313  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.954  -0.740  -0.149  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -2.955  -1.727   0.012  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.628  -3.087  -0.165  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.331  -3.497  -0.457  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -0.331  -2.547  -0.586  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.299  -1.515   0.389  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.912  -2.321   0.367  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.934  -0.437   0.916  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.123  -0.543   1.228  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.627  -1.183  -0.440  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1       -4.191   0.837   1.166  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.466  -0.218  -0.675  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        1.603  -0.231   0.040  0.00  0.00    +0.010 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.721   0.687  -0.223  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.057   0.270  -0.360  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        5.079   1.205  -0.600  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.782   2.564  -0.682  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.469   2.995  -0.527  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.450   2.066  -0.298  0.00  0.00    +0.010 A 
BRANCH  19  24
ATOM     24  S   LIG    1        4.522  -1.446  -0.268  0.00  0.00    +0.057 S 
ATOM     25  O   LIG    1        3.536  -2.260  -0.937  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        5.932  -1.557  -0.572  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        4.427  -1.748   1.390  0.00  0.00    -0.203 NA
ATOM     28  H   LIG    1        5.359  -2.012   1.718  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        4.058  -0.960   1.920  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH  14  16
TORSDOF 4