REMARK  Name = BDB042554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.516   0.412  -1.871  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.972  -0.450  -1.182  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.275  -0.249  -0.608  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.001  -1.246   0.187  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.223  -0.676   0.933  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.124   0.037   0.016  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        2.496   0.796  -1.086  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        0.988   1.007  -0.862  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.461   0.247   0.325  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.972   0.056   1.618  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        6.325   0.262   1.922  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        7.227   0.656   0.930  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        6.740   0.854  -0.365  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        5.384   0.647  -0.655  0.00  0.00    +0.023 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.679   0.899   1.256  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1        8.917   2.185   1.634  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.136   0.119   2.275  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        9.511   0.658   0.204  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.616  -1.810  -0.946  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.014  -1.926  -1.560  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.078  -1.257  -0.722  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -4.511  -1.932   0.398  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -4.124  -2.840   0.628  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.474  -1.478   1.272  0.00  0.00    +0.257 A 
ATOM     25  O   LIG    1       -5.810  -2.127   2.256  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -6.079  -0.161   0.959  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.645   0.526  -0.187  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1       -6.206   1.771  -0.492  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -7.188   2.315   0.340  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.604   1.616   1.470  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -8.546   2.148   2.260  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.060   0.380   1.792  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -4.614  -0.068  -1.040  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5