REMARK  Name = BDB052933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012   0.216  -0.994  0.00  0.00    +0.299 C 
ATOM      2  N   LIG    1        0.061   0.144  -1.853  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.128  -0.200  -2.792  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.971   0.567   0.177  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1       -3.404  -0.091  -0.747  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -3.143   0.249   0.177  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1       -2.354  -0.208  -1.632  0.00  0.00    +0.303 C 
ATOM      8  O   LIG    1       -2.354  -0.587  -2.795  0.00  0.00    -0.265 OA
BRANCH   5  11
ATOM      9  C   LIG    1       -7.010  -0.455  -0.031  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.644  -0.187   0.101  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.760  -0.387  -0.971  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -5.257  -0.860  -2.185  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -6.618  -1.129  -2.328  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -7.490  -0.928  -1.257  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     15  C   LIG    1       -8.984   0.222   3.114  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -7.720   0.165   2.292  0.00  0.00    +0.214 C 
ATOM     17  N   LIG    1       -7.955  -0.277   1.002  0.00  0.00    -0.286 N 
ATOM     18  H   LIG    1       -8.912  -0.508   0.770  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -6.638   0.465   2.784  0.00  0.00    -0.276 OA
ENDBRANCH   9  17
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.407   0.476  -1.442  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.060  -0.646  -0.630  0.00  0.00    +0.063 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.432  -0.264  -0.170  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        3.819   0.402   0.979  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        2.932   0.905   2.061  0.00  0.00    +0.066 C 
ATOM     25  N   LIG    1        5.183   0.603   1.097  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1        5.834   0.096   0.067  0.00  0.00    +0.109 A 
ATOM     27  S   LIG    1        4.813  -0.646  -1.107  0.00  0.00    -0.072 S 
BRANCH  26  28
ATOM     28  C   LIG    1        7.304   0.155  -0.085  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        8.000  -0.414  -1.166  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        9.395  -0.324  -1.254  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       10.114   0.335  -0.261  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       11.827   0.443  -0.372  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        9.451   0.906   0.820  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        8.058   0.814   0.904  0.00  0.00    +0.012 A 
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7