REMARK  Name = BDB056579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.076  -1.006  -2.135  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.591  -0.806  -3.368  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -1.887  -0.428  -3.517  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -2.709  -0.258  -2.402  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.165  -0.493  -1.142  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1       -3.165  -0.286  -0.221  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1       -3.064  -0.395   0.778  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -4.320   0.090  -0.854  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -4.069   0.116  -2.208  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -0.835  -0.878  -0.974  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -5.654   0.417  -0.151  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -5.885   0.380   1.203  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -7.194   0.740   1.364  0.00  0.00    -0.274 N 
ATOM     14  C   LIG    1       -7.919   0.848   2.607  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1       -7.824   1.010   0.206  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.880   0.810  -0.719  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.261  -1.404  -2.112  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        1.567  -1.565  -3.069  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1        4.498  -0.748   0.531  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        4.598  -1.708  -0.475  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        3.527  -1.897  -1.350  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1        3.710  -3.080  -2.603  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        2.333  -1.149  -1.233  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        2.252  -0.210  -0.194  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        3.322  -0.009   0.685  0.00  0.00    +0.015 A 
BRANCH  19  28
ATOM     26  C   LIG    1        7.168   0.867   2.694  0.00  0.00    +0.132 C 
ATOM     27  N   LIG    1        6.153   0.701   1.668  0.00  0.00    -0.304 N 
ATOM     28  C   LIG    1        5.626  -0.574   1.471  0.00  0.00    +0.246 C 
ATOM     29  O   LIG    1        6.031  -1.578   2.051  0.00  0.00    -0.270 OA
ATOM     30  C   LIG    1        5.996   1.813   0.741  0.00  0.00    +0.132 C 
ENDBRANCH  19  28
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4