REMARK  Name = BDB047723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.350  -0.205  -0.458  0.00  0.00    +0.351 C 
ATOM      2  O   LIG    1        0.774  -1.353  -0.516  0.00  0.00    -0.244 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.083   0.137  -0.588  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1       -1.530   1.396  -1.217  0.00  0.00    +0.351 A 
ATOM      5  O   LIG    1       -0.754   2.186  -1.743  0.00  0.00    -0.244 OA
ATOM      6  O   LIG    1       -2.901   1.645  -1.210  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1       -3.822   0.706  -0.714  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1       -3.387  -0.501  -0.177  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.334  -1.413   0.297  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -5.697  -1.103   0.226  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1       -6.117   0.116  -0.317  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -5.175   1.029  -0.791  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -1.959  -0.765  -0.115  0.00  0.00    +0.033 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -6.665  -2.036   0.712  0.00  0.00    +0.120 C 
ATOM     15 CL   LIG    1       -7.856  -3.187   1.311  0.00  0.00    -0.109 Cl
ENDBRANCH  10  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  O   LIG    1        1.077   0.940  -0.192  0.00  0.00    -0.422 OA
BRANCH  16  20
ATOM     17  C   LIG    1        5.224   0.516   0.136  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        4.391  -0.062   1.101  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.003   0.055   1.000  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        2.458   0.753  -0.076  0.00  0.00    +0.132 A 
ATOM     21  C   LIG    1        3.272   1.371  -1.022  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        4.658   1.250  -0.913  0.00  0.00    +0.031 A 
BRANCH  17  25
ATOM     23  N   LIG    1        8.673  -0.658  -0.181  0.00  0.00    -0.104 NA
ATOM     24  C   LIG    1        7.222  -0.575  -0.322  0.00  0.00    +0.289 C 
ATOM     25  N   LIG    1        6.616   0.413   0.255  0.00  0.00    -0.209 NA
ATOM     26  N   LIG    1        6.550  -1.613  -1.104  0.00  0.00    -0.104 NA
ENDBRANCH  17  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5