REMARK  Name = BDB006798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.397   0.036  -1.712  0.00  0.00    -0.312 NA
ATOM      2  H   LIG    1        2.247   0.266  -2.229  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.321  -0.241  -2.665  0.00  0.00    +0.082 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.073  -0.366  -2.038  0.00  0.00    +0.030 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -1.491   0.894  -1.274  0.00  0.00    +0.082 C 
BRANCH   5   6
ATOM      6  N   LIG    1       -2.868   0.762  -0.788  0.00  0.00    -0.311 NA
ATOM      7  H   LIG    1       -3.388   1.600  -1.052  0.00  0.00    +0.122 HD
BRANCH   6   9
ATOM      8  C   LIG    1       -2.252  -0.671   1.179  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -3.035   0.546   0.662  0.00  0.00    +0.011 C 
ATOM     10  C   LIG    1       -2.645   1.803   1.461  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -4.537   0.281   0.881  0.00  0.00    +0.027 C 
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1        1.689  -1.106  -0.846  0.00  0.00    +0.116 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.846  -0.790   0.072  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        4.106  -1.371  -0.132  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.165  -1.062   0.722  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        6.858  -1.855   0.438  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        4.989  -0.172   1.780  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.742   0.416   1.986  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.678   0.111   1.136  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 7