REMARK  Name = BDB049519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.914   1.537  -0.209  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.968   0.235   0.633  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1        0.466  -0.333   0.473  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.280   0.720  -0.150  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.546   1.975   0.015  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.049  -0.793   0.350  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -3.079  -0.581  -0.578  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.060  -1.552  -0.796  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -4.027  -2.742  -0.082  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1       -3.029  -2.976   0.854  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -2.049  -2.003   1.071  0.00  0.00    +0.007 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -5.004  -3.661  -0.327  0.00  0.00    -0.507 OA
ATOM     13  H   LIG    1       -4.849  -4.432   0.242  0.00  0.00    +0.292 HD
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  15
ATOM     14  C   LIG    1       -1.998   3.084   1.400  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -1.976   2.537   0.046  0.00  0.00    -0.304 NA
ATOM     16  C   LIG    1       -1.927   3.622  -0.935  0.00  0.00    +0.104 C 
ENDBRANCH   1  15
BRANCH   4  17
ATOM     17  C   LIG    1        2.663   0.795   0.321  0.00  0.00    +0.123 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.510  -0.361  -0.158  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.952  -1.414   0.657  0.00  0.00    +0.025 A 
ATOM     20 BR   LIG    1        3.581  -1.508   2.519  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.721  -2.460   0.122  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        5.063  -2.469  -1.229  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.643  -1.429  -2.048  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        3.880  -0.393  -1.512  0.00  0.00    +0.129 A 
ATOM     25  F   LIG    1        3.515   0.606  -2.330  0.00  0.00    -0.205 F 
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 5