REMARK  Name = BDB049217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585   1.783   0.700  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1       -0.550   0.353   1.329  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1        0.937  -0.035   1.301  0.00  0.00    +0.090 C 
ATOM      4  N   LIG    1        1.442   0.649   0.112  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.883   1.996   0.235  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.442  -0.716   0.615  0.00  0.00    -0.005 C 
ATOM      7  C   LIG    1       -1.089  -0.984  -0.863  0.00  0.00    +0.004 C 
ATOM      8  C   LIG    1       -1.980  -2.064  -1.478  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -3.460  -1.740  -1.319  0.00  0.00    +0.000 C 
ATOM     10  C   LIG    1       -3.817  -1.492   0.141  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -2.942  -0.400   0.753  0.00  0.00    +0.004 C 
ENDBRANCH   2   6
BRANCH   1  13
ATOM     12  C   LIG    1       -0.963   4.183   0.948  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -1.024   2.874   1.615  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -2.385   2.679   2.120  0.00  0.00    +0.104 C 
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1        2.903   0.665   0.008  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.473  -0.675  -0.395  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.103  -1.565   0.487  0.00  0.00    +0.025 A 
ATOM     18 BR   LIG    1        4.364  -1.179   2.330  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.585  -2.803   0.033  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        4.447  -3.170  -1.304  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.829  -2.297  -2.193  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.353  -1.070  -1.737  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        2.778  -0.249  -2.629  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4