REMARK  Name = BDB019119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.946  -0.054  -0.135  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.900   0.863  -0.087  0.00  0.00    +0.098 A 
ATOM      3  N   LIG    1        0.988   0.320   0.810  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.287   0.875   1.076  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.625   1.993   0.491  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.298   2.589  -0.339  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        1.562  -0.801   1.344  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.516   2.107  -0.654  0.00  0.00    +0.062 A 
ATOM      9 BR   LIG    1        2.682   3.120  -1.692  0.00  0.00    -0.047 Br
ATOM     10  N   LIG    1        2.727  -1.060   0.803  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        4.128  -0.075  -1.002  0.00  0.00    +0.360 C 
ATOM     12  O   LIG    1        4.188   0.462  -2.102  0.00  0.00    -0.243 OA
BRANCH  11  13
ATOM     13  O   LIG    1        5.152  -0.794  -0.451  0.00  0.00    -0.460 OA
BRANCH  13  15
ATOM     14  C   LIG    1        7.241   0.300  -0.996  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        6.344  -0.899  -1.239  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  N   LIG    1       -1.137   0.219   1.939  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.938  -0.736   2.208  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.534   0.576   2.103  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.404  -0.413   1.383  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -3.767  -0.268   0.048  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.390   0.768  -0.945  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -4.402   0.439  -2.042  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -4.812  -0.941  -1.904  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -4.551  -1.224  -0.588  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -4.998  -2.361   0.055  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -4.646  -2.529   1.393  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.859  -1.566   2.038  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.518  -1.773   3.319  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6