REMARK  Name = BDB056413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.413  -1.746  -0.055  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.298  -1.783  -0.892  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.037  -3.157  -1.113  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.889  -3.915  -0.408  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.965  -5.256  -0.325  0.00  0.00    -0.236 NA
ATOM      6  C   LIG    1        0.011  -5.878  -1.033  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        1.001  -5.246  -1.775  0.00  0.00    +0.060 A 
ATOM      8 CL   LIG    1        2.181  -6.164  -2.623  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1        1.031  -3.853  -1.826  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.748  -3.057   0.215  0.00  0.00    -0.339 N 
ATOM     11  H   LIG    1       -2.531  -3.361   0.774  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.725   1.492   1.526  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -3.232   0.501   2.373  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -2.477  -0.558   1.853  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -2.205  -0.638   0.482  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1       -2.704   0.357  -0.363  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -3.458   1.413   0.158  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.742   2.721   3.289  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.472   2.575   1.900  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   2  20
ATOM     20  C   LIG    1        0.378  -0.603  -1.411  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        0.885   0.370  -0.539  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.531   1.512  -1.036  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        1.687   1.656  -2.421  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        1.189   0.689  -3.294  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        0.536  -0.437  -2.791  0.00  0.00    +0.008 A 
BRANCH  22  26
ATOM     26  C   LIG    1        2.090   2.543  -0.094  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.483   2.279   0.180  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        3.815   1.331   0.068  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        4.234   3.174   0.902  0.00  0.00    +0.210 C 
ATOM     30  O   LIG    1        3.813   4.259   1.288  0.00  0.00    -0.276 OA
ATOM     31  C   LIG    1        5.634   2.707   1.198  0.00  0.00    +0.109 C 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 5