REMARK  Name = BDB036427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.577  -0.030  -2.185  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.612  -0.501  -1.637  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -1.518   0.135  -0.632  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -2.536  -0.888  -0.424  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -2.380  -1.961  -1.290  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.114  -2.920  -1.432  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.133  -1.734  -2.027  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -0.517  -2.547  -2.959  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.681  -2.094  -3.511  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.224  -0.853  -3.126  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.790  -0.640   0.276  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.708   0.320  -0.500  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.537   0.654  -1.670  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.779   0.812   0.212  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.372   1.452  -0.299  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.862   0.917   1.577  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.679   1.663   2.107  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.918   0.053   2.381  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.574  -0.091   1.683  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.171   1.280  -1.757  0.00  0.00    +0.139 C 
BRANCH  20  23
ATOM     21  O   LIG    1        1.699   3.355   0.022  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        2.143   2.237   0.278  0.00  0.00    +0.218 C 
ATOM     23  N   LIG    1        1.836   1.132  -0.484  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1        2.389   0.293  -0.355  0.00  0.00    +0.149 HD
BRANCH  22  25
ATOM     25  C   LIG    1        2.979   1.982   1.523  0.00  0.00    +0.132 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.021   0.891   1.396  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        5.183   1.029   0.617  0.00  0.00    +0.022 A 
ATOM     28 BR   LIG    1        5.578   2.620  -0.342  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        6.099  -0.023   0.516  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        5.869  -1.222   1.188  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.724  -1.373   1.964  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.808  -0.326   2.069  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5