REMARK  Name = BDB051790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.575   1.588   0.576  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        2.558   0.712   0.162  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.576   0.293   1.069  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.615   0.728   2.390  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.699   0.318   3.279  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        2.604   1.612   2.808  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.575   2.048   1.903  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.561  -0.676   0.624  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -0.792  -0.357   0.734  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -1.748  -1.346   0.216  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -3.137  -1.213   0.863  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -3.605   0.175   0.800  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -4.551   0.692  -0.073  0.00  0.00    +0.236 C 
ATOM     14  O   LIG    1       -4.630   1.916  -0.253  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -2.678   1.107   1.451  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -1.293   1.031   0.792  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        0.970  -1.741   0.163  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -5.534  -0.252  -0.850  0.00  0.00    +0.093 C 
ATOM     19  N   LIG    1       -6.610   0.595  -1.458  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1       -6.245   1.552  -1.542  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -7.732   0.584  -0.526  0.00  0.00    +0.082 C 
ATOM     22  C   LIG    1       -7.770  -0.861  -0.091  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -6.300  -1.220   0.066  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -4.830  -0.939  -2.021  0.00  0.00    +0.037 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1        4.628   2.079  -0.393  0.00  0.00    +0.092 C 
BRANCH  25  35
ATOM     26  C   LIG    1        6.530   0.051   0.710  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1        6.132  -0.046  -0.732  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1        6.555  -1.001  -1.586  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        7.438  -2.168  -1.251  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1        6.130  -0.955  -3.015  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        6.514  -1.786  -3.832  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        5.300   0.071  -3.368  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        4.999   0.108  -4.337  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        4.825   1.034  -2.542  0.00  0.00    -0.175 NA
ATOM     35  C   LIG    1        5.204   0.992  -1.300  0.00  0.00    +0.069 A 
ENDBRANCH  25  35
ENDBRANCH   1  25
TORSDOF 4