REMARK  Name = BDB002207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.977   0.216   0.537  0.00  0.00    +0.289 A 
ATOM      2  N   LIG    1       -1.405   0.502  -0.648  0.00  0.00    -0.104 NA
ATOM      3  N   LIG    1       -0.036   0.536  -0.740  0.00  0.00    -0.108 NA
ATOM      4  C   LIG    1        0.718   0.284   0.347  0.00  0.00    +0.255 A 
ATOM      5  N   LIG    1        0.141  -0.005   1.525  0.00  0.00    -0.108 NA
ATOM      6  N   LIG    1       -1.230  -0.044   1.628  0.00  0.00    -0.104 NA
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.264  -0.361   2.715  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -5.310  -0.079   1.614  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -5.577   0.253   0.277  0.00  0.00    +0.062 A 
ATOM     10 BR   LIG    1       -7.289   0.426  -0.467  0.00  0.00    -0.047 Br
ATOM     11  C   LIG    1       -4.360   0.419  -0.343  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -4.039   0.777  -1.750  0.00  0.00    +0.067 C 
ATOM     13  N   LIG    1       -3.404   0.179   0.646  0.00  0.00    -0.199 N 
ATOM     14  N   LIG    1       -3.995  -0.126   1.842  0.00  0.00    -0.168 NA
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  N   LIG    1        2.108   0.306   0.295  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.457  -0.186   1.110  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.658  -0.143  -0.968  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.157  -0.278  -0.830  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.967   0.866  -0.770  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        6.351   0.747  -0.629  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.937  -0.514  -0.542  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.141  -1.657  -0.592  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.757  -1.542  -0.732  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 4