REMARK  Name = BDB051776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.400  -2.145   0.708  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.526  -1.820  -0.342  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.182  -2.211  -0.289  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.282  -2.962   0.785  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        1.556  -3.374   0.843  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.577  -3.306   1.825  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.914  -2.901   1.787  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.701  -1.876  -1.419  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        1.847  -1.118  -1.191  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.757  -0.903  -2.314  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        4.157  -0.533  -1.841  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        4.102   0.764  -1.017  0.00  0.00    +0.023 C 
ATOM     13  N   LIG    1        5.329   0.913  -0.172  0.00  0.00    -0.310 NA
ATOM     14  H   LIG    1        5.182   1.426   0.698  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.943   1.754  -1.222  0.00  0.00    +0.083 C 
ATOM     16  C   LIG    1        4.540   2.054  -1.762  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        2.808   0.931  -0.210  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1        2.160  -0.423   0.062  0.00  0.00    +0.110 C 
ATOM     19  O   LIG    1        0.362  -2.269  -2.534  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -3.853  -1.727   0.655  0.00  0.00    +0.092 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -3.593   0.106   3.008  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1       -3.858   0.701   1.658  0.00  0.00    -0.019 A 
ATOM     23  C   LIG    1       -3.964   2.022   1.406  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.777   3.137   2.394  0.00  0.00    +0.050 C 
ATOM     25  C   LIG    1       -4.294   2.487   0.028  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -4.408   3.679  -0.242  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.471   1.514  -0.915  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -4.691   1.817  -1.858  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -4.335   0.181  -0.718  0.00  0.00    -0.175 NA
ATOM     30  C   LIG    1       -4.041  -0.220   0.482  0.00  0.00    +0.069 A 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 3