REMARK  Name = BDB028665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887   1.532  -0.133  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.120   0.666  -0.934  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.740  -0.375  -1.598  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.190  -1.081  -2.295  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        1.440  -0.518  -2.099  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.103  -0.646  -1.546  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.880   0.217  -0.756  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        1.245   0.531  -1.297  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.271   1.288  -0.065  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.993   3.369   1.378  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.222   2.538   0.515  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        2.249   1.371  -0.840  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        2.001   2.122  -0.196  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        3.833   1.328  -1.329  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        3.907   1.340  -2.773  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.527   2.329  -0.544  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.401  -0.248  -0.742  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        4.628  -1.290  -1.647  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        5.091  -2.511  -1.168  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1        5.302  -3.515  -2.030  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1        5.336  -2.696   0.187  0.00  0.00    +0.193 A 
ATOM     22  F   LIG    1        5.781  -3.877   0.637  0.00  0.00    -0.199 F 
ATOM     23  C   LIG    1        5.121  -1.648   1.074  0.00  0.00    +0.163 A 
ATOM     24  F   LIG    1        5.358  -1.815   2.382  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        4.658  -0.416   0.623  0.00  0.00    +0.070 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  26
ATOM     26  C   LIG    1       -4.373  -0.002  -0.639  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.744  -0.450   0.696  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1       -5.141   0.446   1.625  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1       -5.413  -0.307   2.694  0.00  0.00    +0.134 A 
ATOM     30  C   LIG    1       -5.197  -1.676   2.454  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -4.768  -1.740   1.150  0.00  0.00    +0.108 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6