REMARK  Name = BDB004824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.814  -2.460   1.866  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.648  -1.489   1.658  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.506  -1.946   0.762  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -0.787  -1.421   0.967  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.875  -1.811   0.172  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.664  -2.733  -0.851  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -0.391  -3.260  -1.073  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.685  -2.871  -0.274  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1       -3.127  -1.226   0.460  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.136  -0.574   1.233  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.343  -1.514  -0.134  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1       -4.569  -2.381  -0.969  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -5.488  -0.691   0.346  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -5.334   0.659   0.678  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -6.439   1.380   1.118  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       -6.291   2.671   1.440  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -7.694   0.789   1.224  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -7.854  -0.551   0.875  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.754  -1.289   0.432  0.00  0.00    +0.013 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1        2.090  -0.122   1.341  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        1.297   0.512   1.368  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.812   0.157   0.166  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        3.237   1.482  -0.080  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        3.926   1.717  -1.286  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        4.343   3.038  -1.555  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        4.094   4.085  -0.646  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        3.433   3.842   0.545  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1        4.172   0.699  -2.140  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1        3.753  -0.522  -1.792  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1        3.010   2.550   0.827  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1        3.096  -0.840  -0.680  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1        5.074   3.431  -2.802  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1        5.438   4.587  -2.996  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1        5.332   2.473  -3.736  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1        5.837   2.725  -4.573  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1        5.055   1.507  -3.581  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6