REMARK  Name = BDB048291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.589   2.080  -1.421  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1       -0.663   1.957  -1.124  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.590   2.900  -1.492  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -1.212   4.081  -2.238  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -2.896   2.670  -1.123  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1       -3.857   3.387  -1.363  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -2.992   1.388  -0.369  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -4.165   0.929   0.088  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -1.440   0.660  -0.243  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        3.382  -0.860  -0.246  0.00  0.00    -0.045 A 
ATOM     11  C   LIG    1        2.711  -0.959  -1.473  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        1.785   0.015  -1.860  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.502   1.095  -1.024  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        2.184   1.213   0.188  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.110   0.242   0.579  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        3.955  -2.647   1.437  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1        4.383  -1.929   0.155  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        5.794  -1.354   0.297  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  C   LIG    1       -4.386  -0.320   0.825  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -3.791  -0.557   2.064  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.066  -1.752   2.710  0.00  0.00    +0.111 A 
ATOM     22  N   LIG    1       -4.888  -2.701   2.215  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1       -5.460  -2.444   1.020  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -5.247  -1.282   0.297  0.00  0.00    +0.027 A 
ENDBRANCH   8  19
TORSDOF 3