REMARK  Name = BDB052373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.570  -1.753   1.033  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.234  -1.347   0.856  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.288  -1.519   1.869  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.676  -2.110   3.073  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.995  -2.515   3.270  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.937  -2.334   2.258  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.620  -1.552  -0.052  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -3.215  -2.131  -1.415  0.00  0.00    +0.033 C 
BRANCH   7  10
ATOM      9  C   LIG    1       -3.432   0.827  -0.789  0.00  0.00    +0.404 C 
ATOM     10  N   LIG    1       -4.098  -0.162  -0.087  0.00  0.00    -0.250 N 
ATOM     11  O   LIG    1       -2.365   0.679  -1.371  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -3.461   3.065  -1.493  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -4.106   2.012  -0.774  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -5.348   0.136   0.624  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.604  -0.041  -0.218  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -7.742   0.193   0.161  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.398  -0.526  -1.458  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -7.292  -0.559  -1.858  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  O   LIG    1        1.030  -1.159   1.810  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.466  -0.475   0.629  0.00  0.00    +0.287 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.905  -0.097   0.721  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        3.600   0.358  -0.383  0.00  0.00    -0.211 NA
ATOM     23  C   LIG    1        4.816   0.594   0.073  0.00  0.00    +0.227 A 
ATOM     24  O   LIG    1        4.972   0.328   1.409  0.00  0.00    -0.443 OA
ATOM     25  C   LIG    1        3.747  -0.110   1.809  0.00  0.00    +0.224 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.989   1.090  -0.644  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        5.890   1.383  -2.014  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        6.994   1.861  -2.728  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.209   2.049  -2.075  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        9.569   2.635  -2.950  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        8.330   1.764  -0.717  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        7.223   1.287  -0.005  0.00  0.00    +0.014 A 
ENDBRANCH  23  26
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10