REMARK  Name = BDB045759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559   0.134   0.813  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.313  -0.846   0.164  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.705  -0.719   0.101  0.00  0.00    +0.050 A 
ATOM      4  N   LIG    1       -3.430  -1.719  -0.558  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -2.956  -2.513  -0.969  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.795  -1.724  -0.697  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.548  -0.590  -0.107  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -4.858   0.440   0.568  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1       -5.633   1.488   1.102  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -7.026   1.503   0.968  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -7.666   0.471   0.298  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -8.999   0.493   0.173  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.943  -0.578  -0.243  0.00  0.00    +0.052 A 
ATOM     14  O   LIG    1       -5.364  -2.634  -1.289  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1       -3.384   0.373   0.679  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.602   1.335   1.341  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -1.208   1.216   1.412  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1        1.500   0.570   1.865  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        0.923   0.051   0.917  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1        1.575  -0.593  -0.114  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        1.074  -0.808  -0.964  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.026  -0.667  -0.152  0.00  0.00    +0.109 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.661   0.638  -0.638  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.162   0.528  -0.725  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        5.786   0.201  -1.936  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.176   0.082  -2.004  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.951   0.286  -0.864  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.339   0.608   0.345  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.951   0.727   0.416  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  19
TORSDOF 4