REMARK  Name = BDB011273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.838  -0.361   0.712  0.00  0.00    +0.057 A 
ATOM      2  N   LIG    1        0.972   0.543   0.091  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -0.283   0.263   0.544  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.655   0.773   0.301  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1       -2.390  -0.111   1.243  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.571  -1.024   1.926  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -1.891  -1.859   2.754  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.243  -0.754   1.451  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        1.082  -1.162   1.575  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.130   0.625  -1.130  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -2.620   1.746  -1.821  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.060   1.631  -3.143  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.016   0.396  -3.785  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -3.554   0.259  -5.412  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -2.538  -0.728  -3.116  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -2.099  -0.614  -1.795  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   1  20
ATOM     17  C   LIG    1        5.964  -0.632   0.180  0.00  0.00    +0.321 A 
ATOM     18  N   LIG    1        5.201  -1.264  -0.719  0.00  0.00    -0.159 NA
ATOM     19  C   LIG    1        3.869  -1.174  -0.534  0.00  0.00    +0.230 A 
ATOM     20  C   LIG    1        3.278  -0.454   0.493  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        4.172   0.133   1.365  0.00  0.00    +0.131 A 
ATOM     22  N   LIG    1        5.513   0.073   1.230  0.00  0.00    -0.202 NA
BRANCH  17  24
ATOM     23  C   LIG    1        8.102  -0.108   0.958  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        7.319  -0.742  -0.044  0.00  0.00    -0.466 OA
ENDBRANCH  17  24
BRANCH  19  25
ATOM     25  O   LIG    1        3.028  -1.828  -1.419  0.00  0.00    -0.479 OA
ATOM     26  C   LIG    1        3.718  -2.583  -2.408  0.00  0.00    +0.279 C 
ENDBRANCH  19  25
ENDBRANCH   1  20
BRANCH   5  27
ATOM     27  C   LIG    1       -3.823   0.043   1.481  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1       -4.617  -1.202   1.062  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -5.915  -1.332   1.849  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -6.431  -0.038   2.147  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -5.635   0.656   3.110  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -4.136   0.427   2.928  0.00  0.00    +0.050 C 
ENDBRANCH   5  27
BRANCH   2  33
ATOM     33  C   LIG    1        1.276   1.619  -0.854  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1        2.307   2.622  -0.336  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1        1.627   1.108  -2.249  0.00  0.00    +0.030 C 
ENDBRANCH   2  33
TORSDOF 6