REMARK  Name = BDB008605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.212  -0.428  -0.764  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1        2.066   0.338  -1.936  0.00  0.00    +0.175 A 
ATOM      3  C   LIG    1        0.784   0.705  -2.363  0.00  0.00    +0.063 A 
ATOM      4 BR   LIG    1        0.512   1.716  -3.950  0.00  0.00    -0.046 Br
ATOM      5  C   LIG    1       -0.343   0.347  -1.620  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.220  -0.402  -0.439  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        1.069  -0.787  -0.029  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   2   8
ATOM      8  O   LIG    1        3.118   0.694  -2.745  0.00  0.00    -0.490 OA
ATOM      9  C   LIG    1        4.199   1.325  -2.062  0.00  0.00    +0.277 C 
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  C   LIG    1       -1.492  -0.773   0.324  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -1.319  -1.746   1.501  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.245   0.430   0.781  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -3.622   0.609   0.530  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -4.282   1.522   1.036  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.332  -0.409  -0.396  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.756  -0.388  -1.712  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.414  -1.314  -2.585  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -5.916  -1.019  -2.688  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -6.573  -1.033  -1.370  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -6.514  -1.973  -0.979  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.846  -0.098  -0.480  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -1.490   1.348   1.641  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -2.050   2.015   2.867  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.706   2.837   1.652  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  25
ATOM     25  O   LIG    1        3.485  -0.805  -0.424  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.685  -1.552   0.773  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.183  -1.769   0.998  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.872  -0.564   1.635  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.477   1.692   1.321  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.841   0.554   0.755  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10