REMARK  Name = BDB049236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321  -0.453   1.355  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1       -1.310   0.027  -0.120  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1        0.110   0.602  -0.239  0.00  0.00    +0.090 C 
ATOM      4  N   LIG    1        0.936  -0.391   0.435  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.163  -0.861   1.590  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.243  -1.750   3.194  0.00  0.00    +0.104 C 
ATOM      7  N   LIG    1       -2.265  -1.527   1.744  0.00  0.00    -0.304 NA
ATOM      8  C   LIG    1       -3.637  -1.273   1.313  0.00  0.00    +0.104 C 
ENDBRANCH   1   7
BRANCH   2   9
ATOM      9  C   LIG    1       -2.335   1.095  -0.438  0.00  0.00    -0.005 C 
ATOM     10  C   LIG    1       -3.480   0.823  -1.384  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -2.362   1.723  -1.813  0.00  0.00    +0.004 C 
ENDBRANCH   2   9
BRANCH   4  12
ATOM     12  C   LIG    1        2.280   0.062   0.793  0.00  0.00    +0.123 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.183   0.244  -0.404  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.513   1.487  -0.967  0.00  0.00    +0.025 A 
ATOM     15 BR   LIG    1        2.891   3.138  -0.258  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        4.344   1.565  -2.095  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.859   0.408  -2.677  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.548  -0.830  -2.129  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        3.723  -0.902  -1.009  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1        3.463  -2.115  -0.497  0.00  0.00    -0.205 F 
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 4