REMARK  Name = BDB023390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.418  -1.459  -1.417  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.749  -2.159  -1.708  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.061  -0.271  -0.773  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.892   0.505  -0.329  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.373  -0.089  -0.660  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.825   0.984   0.065  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.183   0.963   0.042  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        2.639  -0.118  -0.696  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.029  -0.306  -0.839  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        4.875   0.630  -0.188  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        4.403   1.732   0.560  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1        3.010   1.892   0.670  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        1.467  -0.794  -1.143  0.00  0.00    +0.063 A 
BRANCH   9  14
ATOM     14  C   LIG    1        4.621  -1.452  -1.615  0.00  0.00    +0.418 C 
ATOM     15  F   LIG    1        4.552  -2.628  -0.929  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        5.934  -1.276  -1.932  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        3.978  -1.675  -2.798  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
BRANCH  11  18
ATOM     18  C   LIG    1        5.320   2.729   1.249  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        6.525   2.253   2.022  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        6.714   3.020   0.745  0.00  0.00    +0.009 C 
ENDBRANCH  11  18
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1       -2.979  -1.856  -1.838  0.00  0.00    +0.078 S 
ATOM     22  O   LIG    1       -2.880  -3.216  -2.333  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1       -3.463  -0.795  -2.691  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -4.993  -1.217  -0.018  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -3.824  -1.942  -0.281  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -3.260  -2.777   0.702  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -3.850  -2.872   1.959  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.016  -2.154   2.228  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.589  -1.343   1.242  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.554  -0.482  -1.022  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -5.149   1.803  -0.249  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -6.170   0.764  -0.682  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 7