REMARK  Name = BDB053766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.935  -5.138  -1.767  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -1.179  -3.884  -1.453  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1       -1.748  -2.882  -0.666  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.988  -1.720  -0.448  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.263  -1.583  -1.042  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1        0.782  -0.313  -0.695  0.00  0.00    +0.084 A 
ATOM      7  C   LIG    1       -0.191   0.341   0.066  0.00  0.00    +0.043 A 
ATOM      8  N   LIG    1        0.825  -2.548  -1.813  0.00  0.00    -0.252 NA
ATOM      9  N   LIG    1       -1.252  -0.546   0.250  0.00  0.00    -0.310 N 
ATOM     10  C   LIG    1        0.079  -3.656  -1.994  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.072   0.254  -1.074  0.00  0.00    +0.251 C 
ATOM     12  N   LIG    1        3.224  -0.449  -0.739  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.274  -1.637   0.119  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.604  -1.737   0.889  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        5.815  -1.715   0.052  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        6.105  -2.669  -0.159  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        5.601  -1.002  -1.221  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        4.515   0.085  -1.171  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        2.127   1.348  -1.635  0.00  0.00    -0.270 OA
ENDBRANCH   6  11
BRANCH   9  20
ATOM     20  C   LIG    1       -2.403  -0.345   1.063  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -3.192   0.797   0.909  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -4.315   0.980   1.718  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.653   0.025   2.676  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.875  -1.123   2.821  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.752  -1.314   2.014  0.00  0.00    +0.026 A 
ENDBRANCH   9  20
BRANCH   7  26
ATOM     26  C   LIG    1       -0.072   1.686   0.745  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.718   2.868   0.038  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -1.232   3.963   0.774  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1       -1.191   4.008   2.276  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -1.823   5.032   0.083  0.00  0.00    +0.127 A 
ATOM     31  F   LIG    1       -2.346   6.062   0.764  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -1.885   5.061  -1.305  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -1.346   4.011  -2.034  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -0.764   2.929  -1.369  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 4