REMARK  Name = BDB049237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.769  -2.688  -0.506  0.00  0.00    +0.010 C 
ATOM      2  C   LIG    1       -1.647  -1.783  -0.019  0.00  0.00    +0.018 C 
ATOM      3  C   LIG    1       -1.829  -0.303  -0.395  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -0.383   0.251  -0.340  0.00  0.00    +0.104 C 
ATOM      5  N   LIG    1        0.501  -0.928  -0.278  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -0.302  -2.089  -0.671  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.905   0.426   0.302  0.00  0.00    -0.304 NA
ATOM      8  C   LIG    1       -3.043   1.788  -0.218  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1       -2.759   0.457   1.756  0.00  0.00    +0.104 C 
ENDBRANCH   3   7
BRANCH   5  10
ATOM     10  C   LIG    1        1.729  -0.799  -1.063  0.00  0.00    +0.123 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.689   0.217  -0.491  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        3.443   0.002   0.674  0.00  0.00    +0.025 A 
ATOM     13 BR   LIG    1        3.360  -1.624   1.656  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        4.309   0.992   1.159  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        4.436   2.209   0.492  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.697   2.438  -0.663  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        2.838   1.450  -1.140  0.00  0.00    +0.129 A 
ATOM     18  F   LIG    1        2.138   1.708  -2.256  0.00  0.00    -0.205 F 
ENDBRANCH  10  11
ENDBRANCH   5  10
TORSDOF 3