REMARK  Name = BDB055185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.228   1.134  -0.358  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1        1.570   0.782  -0.490  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.952  -0.605  -0.908  0.00  0.00    +0.048 C 
ATOM      4  C   LIG    1        1.512  -1.640   0.151  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.332  -0.963  -2.276  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        3.501  -0.723  -1.081  0.00  0.00    +0.139 C 
ATOM      7  N   LIG    1        4.225  -0.223   0.085  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1        3.837   1.016   0.608  0.00  0.00    +0.237 C 
ATOM      9  O   LIG    1        4.428   1.624   1.499  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1        2.680   1.685  -0.145  0.00  0.00    +0.204 C 
ATOM     11  O   LIG    1       -0.670   0.291  -0.457  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -2.555   2.847  -0.998  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1       -1.653   2.751   0.246  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -0.155   2.599  -0.082  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1        0.213   3.559  -1.222  0.00  0.00    +0.093 C 
ATOM     16  N   LIG    1       -0.609   3.501  -2.433  0.00  0.00    -0.315 NA
ATOM     17  H   LIG    1       -0.877   4.447  -2.710  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -1.804   2.664  -2.318  0.00  0.00    +0.093 C 
BRANCH  12  21
ATOM     19  N   LIG    1       -3.386   0.541  -0.887  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1       -2.404   0.288  -0.753  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -3.726   1.873  -0.924  0.00  0.00    +0.217 C 
ATOM     22  O   LIG    1       -4.888   2.272  -0.906  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -4.374  -0.505  -0.724  0.00  0.00    +0.104 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.706  -0.730   0.751  0.00  0.00    +0.022 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.423  -3.163   0.490  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -5.819  -1.768   0.976  0.00  0.00    -0.016 C 
ATOM     27  C   LIG    1       -6.185  -1.823   2.461  0.00  0.00    +0.007 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  12  21
ENDBRANCH   1  14
BRANCH   7  28
ATOM     28  C   LIG    1        5.306  -0.976   0.649  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        6.264  -1.682  -0.110  0.00  0.00    +0.062 A 
ATOM     30 CL   LIG    1        6.400  -1.560  -1.834  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        7.254  -2.449   0.523  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        7.318  -2.517   1.912  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        6.400  -1.807   2.676  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        5.410  -1.044   2.050  0.00  0.00    +0.025 A 
ENDBRANCH   7  28
TORSDOF 6