REMARK  Name = BDB023354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506  -0.299   0.584  0.00  0.00    +0.299 C 
ATOM      2  N   LIG    1       -0.010  -0.135  -0.704  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        0.624  -0.068  -1.495  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.193  -0.376   1.583  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        7.431  -0.047  -1.776  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        6.287  -0.139  -0.806  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1        4.966  -0.075  -1.277  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.951  -0.199  -0.330  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        4.164  -0.390   1.028  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.869  -0.465   1.627  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.955  -0.315   0.590  0.00  0.00    +0.195 A 
ATOM     12  C   LIG    1        2.549  -0.666   3.064  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        5.492  -0.467   1.486  0.00  0.00    +0.012 A 
ATOM     14  O   LIG    1        2.620  -0.152  -0.599  0.00  0.00    -0.450 OA
ATOM     15  C   LIG    1        6.539  -0.345   0.558  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  S   LIG    1       -1.602  -0.349  -1.110  0.00  0.00    +0.075 S 
ATOM     17  O   LIG    1       -2.027  -1.583  -0.491  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.652  -0.163  -2.546  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.460   1.036  -0.393  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1       -3.839   0.961  -0.114  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -4.448   2.079   0.491  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -3.722   3.233   0.792  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.368   3.301   0.484  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.737   2.209  -0.110  0.00  0.00    +0.029 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.690  -0.187  -0.457  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.066  -0.430  -1.787  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.890  -1.510  -2.110  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.353  -2.359  -1.107  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.992  -2.129   0.219  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.168  -1.049   0.542  0.00  0.00    +0.008 A 
ENDBRANCH  20  25
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 4