REMARK  Name = BDB012219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.846  -0.201   1.167  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1       -2.144   0.593   0.054  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1       -0.635   0.696   0.271  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.288   1.188   1.600  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.934   1.805   1.884  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.330   1.977   3.038  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.962   0.529   2.714  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -2.471   0.448   2.515  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1  11
ATOM      9  O   LIG    1       -4.804  -1.648   3.063  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.924  -1.474   1.861  0.00  0.00    +0.225 C 
ATOM     11  C   LIG    1       -4.390  -0.276   1.024  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -4.941  -0.623  -0.344  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1       -5.598  -1.851  -0.292  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -6.216  -2.423  -1.385  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -6.182  -1.703  -2.578  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1       -5.559  -0.445  -2.649  0.00  0.00    +0.020 A 
ATOM     17 CL   LIG    1       -6.934  -2.355  -3.983  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -4.943   0.110  -1.521  0.00  0.00    +0.007 A 
ATOM     19  N   LIG    1       -5.566  -2.347   0.998  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1       -6.006  -3.198   1.317  0.00  0.00    +0.155 HD
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1        1.746   2.310   0.696  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.112   2.884   1.091  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.119   1.815   1.525  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.580   0.979   0.354  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1        5.533   1.547  -0.448  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1        5.915   2.458  -0.237  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1        6.040   0.933  -1.565  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1        6.890   1.462  -2.270  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.491  -0.401  -1.860  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1        4.518  -0.902  -0.990  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1        3.982  -2.166  -1.246  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        4.411  -2.910  -2.349  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        5.382  -2.395  -3.209  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        5.927  -1.135  -2.967  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1        4.060  -0.183   0.127  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5