REMARK  Name = BDB023273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.109  -1.152  -0.685  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1        0.087  -0.409  -1.224  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1       -1.084  -0.905  -0.746  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -0.842  -1.982   0.090  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -1.948  -2.615   0.666  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1       -3.238  -2.154   0.388  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.461  -1.066  -0.473  0.00  0.00    +0.036 A 
ATOM      8  F   LIG    1       -1.786  -3.664   1.485  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.356  -0.417  -1.049  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.568  -2.143   0.117  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        3.518  -1.348  -0.318  0.00  0.00    -0.179 N 
ATOM     12  H   LIG    1        4.402  -1.080  -0.753  0.00  0.00    +0.177 HD
ATOM     13  C   LIG    1        2.460  -0.800  -1.070  0.00  0.00    +0.298 C 
ATOM     14  O   LIG    1        2.749  -0.126  -2.051  0.00  0.00    -0.265 OA
BRANCH  11  15
ATOM     15  S   LIG    1        3.590  -1.121   1.343  0.00  0.00    +0.078 S 
ATOM     16  O   LIG    1        2.881   0.091   1.685  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        3.245  -2.391   1.946  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1        6.108  -0.063   0.842  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        5.307  -0.832   1.690  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1        5.849  -1.403   2.850  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        7.197  -1.216   3.154  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        8.005  -0.473   2.296  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.466   0.091   1.137  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1        5.581   0.424  -0.323  0.00  0.00    -0.490 OA
BRANCH  24  26
ATOM     25  C   LIG    1        4.594   2.592   0.154  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1        5.734   1.839  -0.509  0.00  0.00    +0.226 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  15  19
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  N   LIG    1       -4.781  -0.627  -0.725  0.00  0.00    -0.324 N 
ATOM     28  C   LIG    1       -5.277   0.318  -1.698  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1       -6.400  -0.695  -1.997  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.973  -1.423  -0.725  0.00  0.00    +0.107 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.677   1.694  -1.110  0.00  0.00    +0.079 C 
ATOM     32  C   LIG    1       -6.364   2.527  -2.198  0.00  0.00    +0.043 C 
ATOM     33  C   LIG    1       -4.448   2.443  -0.595  0.00  0.00    +0.043 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -6.584   1.559  -0.007  0.00  0.00    -0.387 OA
ATOM     35  H   LIG    1       -7.423   1.203  -0.340  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  28  31
ENDBRANCH   7  27
TORSDOF 8