REMARK  Name = BDB026839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.448  -2.615   1.286  0.00  0.00    +0.032 C 
ATOM      2  C   LIG    1       -0.359  -1.318   1.157  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.717  -1.524   1.867  0.00  0.00    +0.182 C 
ATOM      4  O   LIG    1       -1.753  -2.014   3.001  0.00  0.00    -0.290 OA
BRANCH   3   5
ATOM      5  C   LIG    1       -2.959  -1.164   1.176  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -3.222  -0.168   0.174  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -4.574  -0.270  -0.168  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.181   0.542  -1.135  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -4.391   1.504  -1.767  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.049   1.654  -1.435  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -5.122  -1.257   0.615  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1       -6.094  -1.532   0.594  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -2.458   0.832  -0.467  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.169  -1.786   1.437  0.00  0.00    +0.095 A 
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  15
ATOM     15  N   LIG    1        0.307  -0.146   1.766  0.00  0.00    -0.307 NA
ATOM     16  H   LIG    1        0.357  -0.308   2.777  0.00  0.00    +0.123 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.658   0.142   1.273  0.00  0.00    +0.086 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.719   0.518  -0.214  0.00  0.00    +0.050 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.122   0.882  -0.639  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        4.003  -0.106  -1.101  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.306   0.228  -1.477  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.735   1.550  -1.387  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        7.340   1.962  -1.849  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.872   2.542  -0.924  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.569   2.208  -0.549  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6