REMARK  Name = BDB058297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.579  -0.705  -0.226  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -2.453  -0.117   0.596  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.454  -0.898  -1.012  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -1.393  -1.563  -2.038  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -4.920  -0.875   0.513  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1       -3.894  -1.198  -0.416  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -4.215  -2.011  -1.515  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -5.511  -2.491  -1.691  0.00  0.00    +0.160 A 
ATOM      9  F   LIG    1       -5.787  -3.265  -2.749  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -6.506  -2.176  -0.783  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -7.751  -2.640  -0.955  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -6.222  -1.375   0.313  0.00  0.00    +0.058 A 
BRANCH   5  13
ATOM     13  C   LIG    1       -4.756  -0.026   1.736  0.00  0.00    +0.341 C 
ATOM     14  O   LIG    1       -5.666   0.190   2.520  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1       -3.305   1.293   3.010  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -3.496   0.464   1.858  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1       -0.243  -0.192  -0.427  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.956  -0.254  -1.377  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.108   0.524  -0.879  0.00  0.00    -0.297 NA
ATOM     20  C   LIG    1        2.742  -0.129   0.286  0.00  0.00    +0.119 C 
ATOM     21  C   LIG    1        4.046   0.512   0.718  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.774   1.333  -0.160  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        5.991   1.892   0.255  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.496   1.616   1.525  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.788   0.786   2.390  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.214   1.659  -1.519  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        4.571   0.234   1.989  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.111   0.683  -1.948  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 6