REMARK  Name = BDB033095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.287  -0.467   0.156  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.124  -0.974   0.446  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.873   0.240   0.656  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.271   1.326   0.039  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.738   2.448  -0.067  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.044   0.872  -0.545  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.440  -1.362  -0.829  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.079  -1.389  -0.642  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -0.618  -1.903  -1.385  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.943  -1.967  -1.772  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -5.634   2.424  -0.382  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.880   1.287   0.242  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -4.029   0.491  -0.535  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.294  -0.546   0.056  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.430  -0.810   1.421  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -4.264  -0.013   2.204  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -4.977   1.037   1.617  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.751  -1.846   1.998  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -3.117  -2.008   2.884  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.244   0.244   1.124  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.204  -0.289   0.088  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        4.576   0.507  -1.008  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        5.449   0.016  -1.985  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        5.854   1.059  -3.301  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.957  -1.282  -1.873  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        7.038  -1.960  -3.038  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.589  -2.081  -0.787  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.716  -1.589   0.187  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5