REMARK  Name = BDB004430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.023  -1.111  -0.162  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.339  -0.981   0.357  0.00  0.00    +0.193 C 
ATOM      3  C   LIG    1       -0.133  -1.147   1.847  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        1.222  -1.334   2.114  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.716  -1.525   3.391  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.796  -1.530   4.440  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.578  -1.357   4.189  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.053  -1.169   2.887  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.949  -1.329   0.841  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        3.147  -1.511   0.735  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.264  -2.093  -0.181  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.883  -3.451  -0.112  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.722  -4.462  -0.590  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.957  -4.133  -1.142  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.989  -5.376  -1.731  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.360  -2.804  -1.218  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.521  -1.792  -0.740  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  18
ATOM     18  C   LIG    1        1.348  -1.209  -1.574  0.00  0.00    +0.146 C 
BRANCH  18  22
ATOM     19  C   LIG    1        2.215   2.568  -3.486  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        3.037   2.098  -2.458  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        2.754   0.879  -1.837  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.641   0.119  -2.228  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        0.825   0.595  -3.264  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.112   1.811  -3.891  0.00  0.00    +0.019 A 
BRANCH  19  26
ATOM     25  N   LIG    1        2.727   4.838  -4.632  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        2.501   3.821  -4.120  0.00  0.00    +0.099 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH   2  27
ATOM     27  O   LIG    1       -0.882   0.292  -0.004  0.00  0.00    -0.340 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.249   1.466   0.483  0.00  0.00    +0.147 C 
ATOM     29  C   LIG    1       -0.847   1.961   1.805  0.00  0.00    +0.071 C 
ATOM     30  C   LIG    1       -0.907   3.483   1.696  0.00  0.00    +0.140 C 
ATOM     31  C   LIG    1       -0.967   3.699   0.225  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -0.608   2.594  -0.438  0.00  0.00    +0.003 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -2.076   3.972   2.321  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -2.153   4.913   2.093  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 7