REMARK  Name = BDB008503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.550  -0.686   0.550  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.360   0.199  -0.149  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -2.923   1.399  -0.924  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -3.928   2.541  -0.817  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -5.133   2.315  -1.591  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -5.435   3.057  -2.213  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -6.129   1.397  -1.379  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -5.973   0.253  -0.448  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -7.140  -0.431  -0.059  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -7.068  -1.537   0.773  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -8.197  -2.164   1.129  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.853  -2.020   1.246  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -4.696  -1.340   0.850  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -7.187   1.541  -1.991  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.721  -0.215   0.021  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -3.381  -1.601   1.149  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -3.064  -2.378   1.712  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        1.705  -0.892   0.975  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        0.878  -0.861   2.105  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -0.512  -0.792   1.967  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.099  -0.756   0.697  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -0.276  -0.793  -0.433  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        1.113  -0.864  -0.296  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.211  -0.984   1.120  0.00  0.00    +0.119 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.713   1.382   1.063  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1        3.940   0.088   0.410  0.00  0.00    -0.301 NA
BRANCH  26  27
ATOM     27  C   LIG    1        5.378  -0.247   0.352  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.175   0.666  -0.591  0.00  0.00    +0.030 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.647   0.261  -0.716  0.00  0.00    +0.079 C 
BRANCH  29  30
ATOM     30  N   LIG    1        7.851  -0.985  -1.446  0.00  0.00    -0.330 NA
ATOM     31  H   LIG    1        7.401  -0.925  -2.359  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1        7.405  -1.762  -0.963  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 7