REMARK  Name = BDB023175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.085   0.611   0.824  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.106  -0.102   0.102  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.889   1.213   1.227  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.852   2.191   1.958  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.288   0.556   0.687  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.509   1.143   0.919  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.461   0.372   0.330  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.877  -0.721  -0.285  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.720  -1.626  -0.940  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.101  -1.404  -0.959  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.667  -0.282  -0.336  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.216  -2.707  -1.551  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.832   0.628   0.337  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.482  -0.603  -0.050  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.066  -0.083  -0.355  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.001  -0.567  -1.331  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.002   0.433  -0.743  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.769   1.160  -0.198  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.573   1.236   1.200  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.703   2.523   0.553  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.760   1.053   2.624  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -6.622   1.209   1.843  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -6.127   0.258   0.784  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -4.769   0.170   0.393  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -4.396  -0.732  -0.615  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1       -5.350  -1.562  -1.212  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -6.681  -1.497  -0.811  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.066  -0.596   0.178  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -3.100  -0.836  -1.054  0.00  0.00    -0.505 OA
ATOM     30  H   LIG    1       -3.102  -1.367  -1.874  0.00  0.00    +0.292 HD
ENDBRANCH  25  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5