REMARK  Name = BDB028754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.033  -0.665   0.743  0.00  0.00    +0.093 C 
ATOM      2  N   LIG    1       -0.808   0.436   0.211  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1       -0.184   1.776   0.088  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1        1.362   1.681   0.245  0.00  0.00    +0.135 C 
ATOM      5  N   LIG    1        1.920   0.510  -0.451  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1        2.930   0.677  -1.386  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1        3.263   1.798  -1.772  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.350  -0.791  -0.058  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.823   0.142  -0.687  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -1.619   0.003  -2.085  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -2.711  -0.380  -2.874  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.965  -0.527  -2.297  0.00  0.00    +0.061 A 
ATOM     13 CL   LIG    1       -5.322  -0.965  -3.250  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -4.085  -0.325  -0.937  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1       -3.048  -0.006  -0.130  0.00  0.00    -0.237 NA
BRANCH  10  16
ATOM     16  N   LIG    1       -0.340   0.008  -2.686  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -0.353   0.278  -3.665  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        0.335   0.549  -2.153  0.00  0.00    +0.142 HD
ENDBRANCH  10  16
ENDBRANCH   2   9
BRANCH   3  19
ATOM     19  C   LIG    1       -0.761   2.776   1.089  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -1.572   2.385   2.168  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.073   3.328   3.070  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.769   4.676   2.904  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -2.384   5.837   4.014  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.971   5.089   1.841  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.472   4.145   0.938  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   1  26
ATOM     26  C   LIG    1       -0.731  -1.999   0.914  0.00  0.00    +0.027 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -0.921  -3.934   2.520  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        0.048  -3.093   1.680  0.00  0.00    -0.015 C 
ATOM     29  C   LIG    1        0.814  -4.025   0.737  0.00  0.00    +0.007 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   6  30
ATOM     30  C   LIG    1        3.544  -0.568  -1.979  0.00  0.00    +0.216 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.975  -0.381  -2.371  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1        5.872   0.072  -1.679  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1        5.245  -0.859  -3.604  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        6.201  -0.675  -3.723  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   6  30
TORSDOF 8