REMARK  Name = BDB045514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.087   0.760  -0.456  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1       -0.525  -0.685  -0.133  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.413  -1.666  -0.703  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.102  -2.628  -0.573  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        1.761  -1.461  -0.395  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.270  -0.189  -0.111  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.625   0.006   0.141  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.516  -1.064   0.078  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        4.024  -2.319  -0.254  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        4.868  -3.355  -0.340  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        4.093   1.359   0.470  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1        5.272   1.580   0.717  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        3.130   2.340   0.493  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        3.438   3.289   0.683  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.810   2.178   0.200  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1        2.667  -2.522  -0.502  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        1.377   0.983  -0.083  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.916  -1.029  -0.652  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1       -2.176  -1.121  -2.032  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -3.456  -1.431  -2.496  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -4.480  -1.648  -1.584  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -5.708  -1.947  -2.029  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.250  -1.562  -0.217  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.971  -1.254   0.251  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     25  C   LIG    1       -0.196   1.756   2.614  0.00  0.00    +0.174 C 
ATOM     26  N   LIG    1       -1.030   2.149   1.507  0.00  0.00    -0.251 N 
ATOM     27  C   LIG    1       -0.998   1.774   0.185  0.00  0.00    +0.138 A 
ATOM     28  N   LIG    1       -1.957   2.422  -0.452  0.00  0.00    -0.219 NA
ATOM     29  C   LIG    1       -2.550   3.167   0.520  0.00  0.00    +0.245 A 
ATOM     30  N   LIG    1       -2.033   3.017   1.738  0.00  0.00    -0.158 NA
ENDBRANCH   1  27
TORSDOF 2