REMARK  Name = BDB056626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -0.026  -2.678  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -1.557  -0.397  -1.617  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.100  -0.459  -0.718  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.222   0.331  -3.760  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        1.107   0.788  -0.251  0.00  0.00    +0.245 C 
ATOM      6  N   LIG    1        1.132  -0.364  -1.023  0.00  0.00    -0.288 N 
ATOM      7  C   LIG    1        0.760  -0.228  -2.457  0.00  0.00    +0.162 C 
ATOM      8  C   LIG    1        1.196  -1.446  -3.288  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        2.574  -1.932  -2.864  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        2.607  -2.322  -1.387  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1        1.466  -1.713  -0.569  0.00  0.00    +0.108 C 
ATOM     12  O   LIG    1        0.733   1.866  -0.734  0.00  0.00    -0.273 OA
BRANCH   5  13
ATOM     13  C   LIG    1        1.458   0.748   1.253  0.00  0.00    +0.205 C 
BRANCH  13  15
ATOM     14  C   LIG    1        3.199   2.636   1.149  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        2.913   1.186   1.589  0.00  0.00    -0.003 C 
ATOM     16  C   LIG    1        3.945   0.262   0.924  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        3.116   1.110   3.118  0.00  0.00    +0.013 C 
ENDBRANCH  13  15
BRANCH  13  18
ATOM     18  O   LIG    1        0.519   1.626   1.903  0.00  0.00    -0.382 OA
ATOM     19  H   LIG    1        0.460   2.419   1.331  0.00  0.00    +0.210 HD
ENDBRANCH  13  18
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -2.971  -0.114  -1.633  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.609  -0.558  -0.340  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -3.587   0.236   0.829  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1       -4.203  -0.253   1.998  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.798  -1.514   2.026  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.790  -2.302   0.881  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -5.510  -3.865   0.912  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -4.202  -1.834  -0.292  0.00  0.00    +0.025 A 
BRANCH  22  28
ATOM     28  C   LIG    1       -2.966   1.615   0.877  0.00  0.00    +0.113 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.963   2.646   0.624  0.00  0.00    -0.326 NA
ATOM     30  H   LIG    1       -3.502   3.554   0.605  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -4.358   2.511  -0.305  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8