REMARK  Name = BDB024578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.652  -0.785  -0.570  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.450  -1.399  -0.179  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.552  -2.781   0.336  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.879  -3.777  -0.789  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.303  -3.292   1.071  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.671  -2.186   1.887  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.286  -1.092   0.934  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.058  -0.405   1.038  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.044  -0.592   1.941  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.897   0.276   1.625  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        0.507   1.052   0.545  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1       -0.739   0.609   0.142  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.603   0.969  -0.896  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.824   0.288  -0.988  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.191  -0.716  -0.083  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -6.724  -1.381  -0.649  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.290   2.123  -0.064  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        0.594   3.490  -0.021  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1        1.477   4.556  -0.665  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1        1.854   4.176  -2.025  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1        2.425   4.915  -2.437  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        2.602   2.919  -2.054  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1        1.772   1.776  -1.478  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1       -6.791   1.195  -1.128  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1       -5.558   0.558  -0.789  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1        2.212   0.380   2.340  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.386  -0.129   1.530  0.00  0.00    -0.037 A 
ATOM     28  C   LIG    1        4.524   0.664   1.350  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.596   0.189   0.595  0.00  0.00    +0.165 A 
ATOM     30  F   LIG    1        6.660   0.989   0.430  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1        5.575  -1.082   0.014  0.00  0.00    +0.155 A 
ATOM     32  C   LIG    1        4.450  -1.885   0.209  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        3.368  -1.413   0.964  0.00  0.00    +0.008 A 
BRANCH  31  34
ATOM     34  O   LIG    1        6.686  -1.426  -0.707  0.00  0.00    -0.492 OA
ATOM     35  C   LIG    1        6.707  -2.724  -1.286  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 5