REMARK  Name = BDB023274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.072  -0.875  -0.263  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1        0.560   0.191   0.329  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1        1.892   0.075   0.085  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1        2.142  -1.059  -0.667  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        3.470  -1.324  -1.021  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        4.487  -0.458  -0.608  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.211   0.678   0.168  0.00  0.00    +0.036 A 
ATOM      8  F   LIG    1        3.775  -2.397  -1.763  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        2.878   0.961   0.517  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.879  -1.671  -0.884  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.076  -2.016  -0.854  0.00  0.00    -0.179 N 
ATOM     12  H   LIG    1       -1.536  -2.623  -1.457  0.00  0.00    +0.177 HD
ATOM     13  C   LIG    1       -1.515  -0.954  -0.137  0.00  0.00    +0.298 C 
ATOM     14  O   LIG    1       -2.194  -0.159   0.496  0.00  0.00    -0.265 OA
BRANCH  11  15
ATOM     15  S   LIG    1       -3.685  -2.432  -0.800  0.00  0.00    +0.078 S 
ATOM     16  O   LIG    1       -3.821  -3.452  -1.823  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -4.001  -2.724   0.579  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -5.549  -0.358  -0.710  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -4.517  -0.991  -1.414  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -4.104  -0.502  -2.666  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.709   0.628  -3.210  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.741   1.258  -2.518  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.163   0.765  -1.281  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -5.980  -0.899   0.464  0.00  0.00    -0.490 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -5.127   0.739   2.072  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -6.331  -0.004   1.521  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        5.245   1.546   0.564  0.00  0.00    -0.321 N 
ATOM     28  C   LIG    1        6.661   1.303   0.736  0.00  0.00    +0.141 C 
ATOM     29  C   LIG    1        6.733   2.735   1.302  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1        5.217   2.624   1.505  0.00  0.00    +0.107 C 
BRANCH  28  31
ATOM     31  C   LIG    1        7.066   0.204   1.713  0.00  0.00    +0.361 C 
ATOM     32  F   LIG    1        6.829  -1.016   1.167  0.00  0.00    -0.207 F 
ATOM     33  F   LIG    1        6.343   0.278   2.860  0.00  0.00    -0.207 F 
ENDBRANCH  28  31
ENDBRANCH   7  27
TORSDOF 7