REMARK  Name = BDB049395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.223   1.060  -1.185  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.157   1.085  -0.166  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.858   2.223  -1.836  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1       -0.750   2.375  -3.051  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.959  -1.257  -0.869  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -1.582  -0.197  -1.727  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.560  -0.436  -3.108  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.877  -1.694  -3.632  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.223  -2.738  -2.784  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.264  -2.521  -1.409  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -2.091  -1.151   0.615  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -2.082  -2.117   1.362  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -2.509   0.299   2.405  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -2.286   0.136   1.003  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -0.603   3.379  -0.878  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  S   LIG    1        1.174   3.665  -0.676  0.00  0.00    -0.079 S 
BRANCH  16  17
ATOM     17  C   LIG    1        1.640   2.259   0.202  0.00  0.00    +0.168 A 
ATOM     18  N   LIG    1        2.961   1.942   0.300  0.00  0.00    -0.333 N 
ATOM     19  H   LIG    1        3.718   2.469  -0.109  0.00  0.00    +0.168 HD
ATOM     20  C   LIG    1        3.060   0.783   1.024  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        1.740   0.462   1.337  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        1.482  -0.696   2.084  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        2.567  -1.478   2.487  0.00  0.00    +0.119 A 
ATOM     24  C   LIG    1        3.880  -1.138   2.165  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        4.157   0.012   1.417  0.00  0.00    +0.031 A 
ATOM     26  N   LIG    1        0.868   1.399   0.821  0.00  0.00    -0.222 NA
BRANCH  23  27
ATOM     27  O   LIG    1        2.292  -2.598   3.219  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1        3.121  -3.069   3.401  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 7