REMARK  Name = BDB009444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.352   2.236  -0.154  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.563   2.623   1.165  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.802   2.720   1.668  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.515   2.931   1.988  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.817   2.864   1.483  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.050   2.490   0.150  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.951   2.196  -0.671  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        4.772  -3.304   0.583  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        5.206  -2.228   0.164  0.00  0.00    +0.266 C 
ATOM     10  N   LIG    1        4.330  -1.196  -0.182  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1        2.907  -1.363   0.115  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        2.206  -0.024   0.383  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.386   0.937  -0.713  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        1.477   1.931  -1.058  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        1.534   2.555  -2.116  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.527   0.710  -1.601  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        4.711   0.026  -0.902  0.00  0.00    +0.127 C 
BRANCH   9  18
ATOM     18  C   LIG    1        6.663  -2.023   0.036  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1        7.271  -0.779  -0.160  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        8.578  -0.916  -0.202  0.00  0.00    +0.156 A 
ATOM     21  S   LIG    1        9.177  -2.507  -0.011  0.00  0.00    -0.083 S 
ATOM     22  C   LIG    1        7.568  -3.069   0.152  0.00  0.00    +0.079 A 
ENDBRANCH   9  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1       -3.455   2.458  -0.412  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.403   1.558   0.377  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.488   0.101   0.046  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.636  -0.498  -1.037  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -3.627  -2.030  -1.031  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.026  -2.589  -0.804  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.603  -2.096   0.524  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.361  -0.631   0.761  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -6.157   0.004   1.840  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -6.947  -0.638   2.525  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.953   1.344   2.025  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.493   1.798   2.754  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.101   2.129   1.315  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4