REMARK  Name = BDB051594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.186  -1.176  -0.146  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.538  -0.480   0.873  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.751   0.034   0.679  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -1.413  -0.140  -0.544  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.766  -0.835  -1.571  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.523  -1.347  -1.368  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.724   0.393  -0.717  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1       -3.336   1.066   0.301  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -4.544   1.437  -0.165  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1       -4.676   0.972  -1.521  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -5.761   1.139  -2.371  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -6.790   1.854  -1.735  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -6.729   2.342  -0.401  0.00  0.00    +0.053 A 
ATOM     14  F   LIG    1       -7.909   2.094  -2.436  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -5.603   2.153   0.438  0.00  0.00    +0.067 A 
ATOM     16  C   LIG    1       -3.519   0.321  -1.841  0.00  0.00    +0.123 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.582   2.675   1.813  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -6.539   3.288   2.271  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -4.460   2.451   2.553  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -3.665   1.944   2.171  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.417   2.800   3.500  0.00  0.00    +0.145 HD
ENDBRANCH  15  17
ENDBRANCH   4   7
BRANCH   1  23
ATOM     22  C   LIG    1        3.328  -1.700   1.065  0.00  0.00    +0.223 C 
ATOM     23  N   LIG    1        2.482  -1.724  -0.036  0.00  0.00    -0.285 N 
ATOM     24  H   LIG    1        2.830  -2.192  -0.861  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        3.032  -1.218   2.161  0.00  0.00    -0.275 OA
BRANCH  22  29
ATOM     26  C   LIG    1        7.719  -1.263   0.063  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        6.293  -1.121   0.331  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1        5.918  -1.844   1.567  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1        4.686  -2.405   0.813  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        5.505  -2.083  -0.461  0.00  0.00    +0.098 C 
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 4