REMARK  Name = BDB049208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.095  -1.748   1.074  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.256  -0.944  -0.246  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        1.157  -0.384  -0.530  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.959  -0.688   0.663  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.430  -1.966   1.154  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.312   0.131  -0.189  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.466   0.246  -1.033  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.170   1.388  -0.637  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.361   1.788  -1.263  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.846   1.006  -2.316  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.166  -0.134  -2.731  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.465   1.949   0.406  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -2.845   3.152   1.111  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.979  -0.523  -2.100  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.350   1.208   0.678  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -2.303  -2.665   1.520  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -0.892  -2.980   1.282  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -0.778  -3.979   0.223  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        3.403  -0.732   0.428  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.001   0.636   0.197  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        4.397   1.126  -1.058  0.00  0.00    +0.025 A 
ATOM     22 BR   LIG    1        4.274   0.100  -2.653  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        4.925   2.420  -1.187  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        5.069   3.243  -0.071  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.688   2.771   1.179  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.164   1.485   1.302  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1        3.827   1.060   2.529  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4