REMARK  Name = BDB050274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.565   0.010  -0.375  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -5.018   1.123  -0.478  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -3.872   0.331  -0.468  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.598   0.910  -0.381  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -2.472   2.297  -0.311  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.614   3.098  -0.331  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -4.876   2.512  -0.415  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -6.312   0.703  -0.554  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -6.390  -1.214   0.962  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.685  -0.675  -0.447  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -8.216  -0.659  -0.629  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.160  -1.589  -1.572  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1       -5.755  -1.247  -2.672  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.219  -2.906  -1.274  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1       -5.881  -3.340  -2.087  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.240   0.540  -0.265  0.00  0.00    +0.244 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.745  -0.640  -0.292  0.00  0.00    +0.125 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.163  -0.239  -0.264  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        2.576   0.266   1.054  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        4.019   0.804   1.004  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.969  -0.154   0.328  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        4.480  -1.153  -0.430  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        3.011  -1.379  -0.655  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        6.420   0.044   0.515  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        6.981   1.329   0.451  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        8.353   1.523   0.643  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        9.176   0.432   0.908  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       10.863   0.669   1.147  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        8.639  -0.850   0.982  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.268  -1.041   0.787  0.00  0.00    +0.009 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9