REMARK  Name = BDB011642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.541  -0.181   1.311  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.524  -0.008   0.454  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.303   0.474  -0.418  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.533  -0.868   2.326  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.796  -0.499   0.528  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.684  -0.409  -0.672  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.375   0.194  -1.689  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.878  -1.061  -0.361  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.833  -1.418   1.019  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.374  -2.751   1.313  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.550  -1.070   1.483  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.212  -1.284   2.923  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.162  -0.658  -0.936  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.210  -0.848  -2.457  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.621  -0.621  -3.007  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.434   0.398  -2.205  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.543   1.427  -1.523  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.561   0.778  -0.543  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        3.413   0.018   2.821  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        3.028   0.601   1.512  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.808   1.333   0.635  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        3.037   1.727  -0.414  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        1.767   1.214  -0.287  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.756   0.523   0.865  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.222   1.823   0.635  0.00  0.00    +0.188 C 
ATOM     26  O   LIG    1        6.044   0.946   1.415  0.00  0.00    -0.368 OA
ATOM     27  C   LIG    1        6.389  -0.279   0.771  0.00  0.00    +0.165 C 
ATOM     28  C   LIG    1        7.212  -0.032  -0.491  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1        8.581   0.556  -0.127  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        6.462   0.909  -1.434  0.00  0.00    +0.064 C 
ATOM     31 BR   LIG    1        5.092  -0.096  -2.419  0.00  0.00    -0.088 Br
ATOM     32  C   LIG    1        5.844   2.117  -0.736  0.00  0.00    +0.054 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4