REMARK  Name = BDB040141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.012  -2.239   0.124  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.174  -1.480  -0.014  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.274  -1.885  -0.793  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.194  -3.126  -1.424  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.047  -3.913  -1.308  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.040  -3.469  -0.556  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.403  -1.034  -0.942  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.584  -1.330  -1.628  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -3.954  -2.344  -2.191  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.424  -0.127  -1.568  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -5.684   0.072  -2.102  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.274   1.321  -1.913  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.598   2.330  -1.202  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.317   2.112  -0.656  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.743   0.860  -0.862  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -2.414   0.331  -0.427  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.590   3.201   0.086  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -2.652   3.815  -0.682  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.413   4.188   0.537  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.933   2.739   1.187  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.261  -1.704   0.994  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        1.960  -1.228   2.444  0.00  0.00    +0.177 C 
ATOM     23  O   LIG    1        3.086  -1.980   2.960  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1        3.098  -2.779   1.748  0.00  0.00    +0.177 C 
BRANCH  21  25
ATOM     25  C   LIG    1        3.145  -0.751   0.162  0.00  0.00    +0.248 C 
ATOM     26  F   LIG    1        4.412  -0.747   0.674  0.00  0.00    -0.236 F 
BRANCH  25  28
ATOM     27  N   LIG    1        3.130   1.752   0.701  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1        2.610   0.644   0.076  0.00  0.00    +0.168 A 
ATOM     29  N   LIG    1        1.546   1.021  -0.610  0.00  0.00    -0.132 NA
ATOM     30  N   LIG    1        1.343   2.360  -0.403  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        2.305   2.789   0.377  0.00  0.00    +0.225 A 
BRANCH  27  33
ATOM     32  C   LIG    1        5.569   2.098   0.800  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        4.282   1.856   1.569  0.00  0.00    +0.121 C 
ENDBRANCH  27  33
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 6